#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr1 h GLU 1449N 0.00 1.04 -0.34 -0.67 4.81 -2.03 -3.10 114.58 114.29 2fr1 h GLU 1449Ca 0.00 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2fr1 h GLU 1449Cb 0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2fr1 h GLU 1449CO 0.00 1.00 0.14 0.28 -0.73 0.00 0.00 179.01 179.70 2fr1 h VAL 1450N 0.96 1.18 0.00 0.32 2.07 -1.99 -2.50 116.25 116.30 2fr1 h VAL 1450Ca 0.18 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2fr1 h VAL 1450Cb 0.51 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2fr1 h VAL 1450CO 0.02 0.20 0.00 -0.24 0.02 0.00 0.00 177.57 177.57 2fr1 n SER 1451N -4.71 0.00 -0.86 0.57 2.88 -1.19 -1.50 113.62 108.82 2fr1 n SER 1451Ca -0.01 -0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.61 2fr1 n SER 1451Cb 0.13 -0.22 0.09 0.00 -0.75 0.00 0.00 64.21 63.46 2fr1 n SER 1451CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fr1 n ALA 1452N -1.22 2.48 0.56 -1.46 0.00 -0.94 -4.17 120.51 115.75 2fr1 n ALA 1452Ca 0.07 -0.67 0.07 0.00 0.00 0.00 0.00 53.44 52.91 2fr1 n ALA 1452Cb 0.09 -0.73 0.04 0.00 0.00 0.00 0.00 19.45 18.85 2fr1 n ALA 1452CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fr1 n LEU 1453N 1.20 1.85 -4.71 0.00 4.77 -0.56 -4.91 117.00 114.64 2fr1 n LEU 1453Ca 0.13 -0.92 -0.38 0.00 -0.03 0.00 0.00 56.01 54.81 2fr1 n LEU 1453Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2fr1 n LEU 1453CO 0.14 0.35 0.15 -0.13 -1.33 0.00 0.00 177.39 176.57 2fr1 s ARG 1454N -1.28 4.30 0.16 3.23 0.52 -1.24 -1.29 118.95 123.34 2fr1 s ARG 1454Ca 0.14 0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.70 2fr1 s ARG 1454Cb 0.11 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 2fr1 s ARG 1454CO 0.22 0.11 0.13 0.71 0.02 0.00 0.00 175.30 176.49 2fr1 s TYR 1455N 0.81 0.81 0.17 -0.53 1.51 0.18 -1.46 117.35 118.83 2fr1 s TYR 1455Ca 0.24 -1.15 -0.17 0.00 -1.01 0.00 0.00 57.07 54.98 2fr1 s TYR 1455Cb -0.15 -0.39 0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2fr1 s TYR 1455CO 0.09 -0.60 0.47 -0.98 -1.11 0.00 0.00 175.55 173.42 2fr1 s ARG 1456N -4.05 1.25 -0.15 -0.62 1.70 0.36 -0.53 118.95 116.91 2fr1 s ARG 1456Ca 0.26 -0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 2fr1 s ARG 1456Cb 0.06 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2fr1 s ARG 1456CO 0.04 -0.51 0.23 0.42 -1.08 0.00 0.00 175.30 174.39 2fr1 s ILE 1457N -3.84 5.35 0.11 4.99 -1.09 -1.26 -1.26 121.20 124.19 2fr1 s ILE 1457Ca 0.07 0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.93 2fr1 s ILE 1457Cb 0.00 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2fr1 s ILE 1457CO -0.07 0.47 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.42 2fr1 s GLU 1458N -0.00 0.88 -0.27 2.79 2.02 -0.64 -4.99 118.70 118.49 2fr1 s GLU 1458Ca 0.15 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 2fr1 s GLU 1458Cb -0.13 -0.33 0.04 0.00 0.10 0.00 0.00 34.13 33.81 2fr1 s GLU 1458CO 0.03 0.01 -0.06 -1.58 0.02 0.00 0.00 175.26 173.69 2fr1 s TRP 1459N -3.38 3.16 -0.04 1.61 0.52 -1.26 -1.04 118.94 118.51 2fr1 s TRP 1459Ca 0.12 -1.83 -0.02 0.00 0.02 0.00 0.00 56.10 54.38 2fr1 s TRP 1459Cb 0.03 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 2fr1 s TRP 1459CO -0.03 -0.79 0.09 1.03 0.02 0.00 0.00 176.95 177.27 2fr1 s ARG 1460N 1.25 3.15 0.42 4.98 1.81 -0.84 -4.80 118.95 124.91 2fr1 s ARG 1460Ca -0.03 -0.40 -0.26 0.00 -1.72 0.00 0.00 55.73 53.31 2fr1 s ARG 1460Cb -0.18 -2.93 -0.09 0.00 -0.45 0.00 0.00 34.95 31.30 2fr1 s ARG 1460CO -0.04 0.68 1.42 -2.14 -0.68 0.00 0.00 175.30 174.54 2fr1 s PRO 1461N -1.50 3.88 0.03 3.54 0.02 -1.26 -0.61 135.00 139.09 2fr1 s PRO 1461Ca 0.20 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 2fr1 s PRO 1461Cb -0.12 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.62 2fr1 s PRO 1461CO 0.11 -0.66 0.04 -2.37 -0.33 0.00 0.00 177.00 173.79 2fr1 n THR 1462N 0.09 0.00 -4.43 0.99 5.66 -0.86 -4.82 114.28 110.90 2fr1 n THR 1462Ca 0.03 -0.10 -0.22 0.00 -3.05 0.00 0.00 64.05 60.71 2fr1 n THR 1462Cb 0.41 0.07 -0.09 0.00 -1.55 0.00 0.00 70.33 69.18 2fr1 n THR 1462CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2fr1 s GLY 1463N -1.15 2.31 -0.17 1.09 0.00 -1.26 -4.57 107.32 103.58 2fr1 s GLY 1463Ca 0.02 -1.58 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 2fr1 s GLY 1463CO 0.01 -1.73 0.07 0.00 0.00 0.00 0.00 173.10 171.45 2fr1 h ALA 1464N 2.01 0.12 0.00 3.20 0.00 -1.98 -3.46 119.26 119.14 2fr1 h ALA 1464Ca -0.35 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2fr1 h ALA 1464Cb 1.26 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2fr1 h ALA 1464CO 0.57 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2fr1 n GLY 1465N 1.55 0.93 1.89 0.00 0.00 -1.26 -2.35 105.19 105.95 2fr1 n GLY 1465Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2fr1 n GLY 1465CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fr1 n GLU 1466N 0.00 -4.99 -0.17 1.61 2.13 -1.26 -3.89 120.64 114.07 2fr1 n GLU 1466Ca 0.00 3.59 -0.09 0.00 0.66 0.00 0.00 57.16 61.32 2fr1 n GLU 1466Cb 0.00 -3.80 0.04 0.00 0.27 0.00 0.00 31.44 27.95 2fr1 n GLU 1466CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2fr1 h PRO 1467N 3.84 0.99 -3.32 5.31 0.13 -1.84 -3.41 132.00 133.70 2fr1 h PRO 1467Ca 0.00 -0.36 -0.27 0.00 -0.87 0.00 0.00 66.00 64.50 2fr1 h PRO 1467Cb 0.00 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 2fr1 h PRO 1467CO 0.00 1.04 -0.32 0.00 -0.23 0.00 0.00 178.00 178.48 2fr1 n ALA 1468N -2.50 -0.66 -0.60 -0.56 0.00 -1.26 -4.65 120.51 110.28 2fr1 n ALA 1468Ca 0.02 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.65 2fr1 n ALA 1468Cb 0.40 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2fr1 n ALA 1468CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2fr1 n ARG 1469N -2.66 -0.95 -3.65 0.00 1.85 -1.26 -4.98 116.66 105.01 2fr1 n ARG 1469Ca -0.15 0.62 -0.19 0.00 -1.00 0.00 0.00 57.85 57.13 2fr1 n ARG 1469Cb 0.59 -1.15 -0.04 0.00 -1.05 0.00 0.00 32.46 30.80 2fr1 n ARG 1469CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2fr1 n LEU 1470N 0.00 0.00 -3.63 2.89 4.77 0.13 -4.96 117.00 116.19 2fr1 n LEU 1470Ca 0.00 -2.03 -0.12 0.00 -0.03 0.00 0.00 56.01 53.84 2fr1 n LEU 1470Cb 0.21 0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2fr1 n LEU 1470CO 0.00 -0.30 0.52 -0.62 -1.33 0.00 0.00 177.39 175.66 2fr1 s ASP 1471N -2.72 -0.67 0.00 -1.43 2.15 -1.18 -4.58 116.67 108.24 2fr1 s ASP 1471Ca 0.05 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.30 2fr1 s ASP 1471Cb 0.00 1.28 0.00 0.00 -0.30 0.00 0.00 42.92 43.91 2fr1 s ASP 1471CO 0.04 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2fr1 n GLY 1472N 2.72 -1.39 3.32 2.66 0.00 -1.26 -4.79 105.19 106.45 2fr1 n GLY 1472Ca -0.14 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2fr1 n GLY 1472CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2fr1 s THR 1473N 0.00 2.70 -0.06 2.61 -1.32 -1.26 -0.32 115.64 118.00 2fr1 s THR 1473Ca 0.00 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 2fr1 s THR 1473Cb 0.00 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 68.86 2fr1 s THR 1473CO 0.00 0.54 -0.03 0.26 -2.21 0.00 0.00 174.62 173.18 2fr1 s TRP 1474N 0.27 3.04 -0.02 9.09 0.52 0.15 -0.61 118.94 131.38 2fr1 s TRP 1474Ca -0.12 0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.07 2fr1 s TRP 1474Cb -0.16 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2fr1 s TRP 1474CO 0.06 0.41 0.11 -0.51 0.02 0.00 0.00 176.95 177.05 2fr1 s LEU 1475N -1.02 4.07 -0.29 2.99 1.02 -0.55 -1.28 118.68 123.62 2fr1 s LEU 1475Ca 0.14 0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.56 2fr1 s LEU 1475Cb -0.11 -2.35 0.07 0.00 0.02 0.00 0.00 46.19 43.83 2fr1 s LEU 1475CO 0.04 0.28 -0.05 -0.69 0.02 0.00 0.00 176.35 175.95 2fr1 s VAL 1476N -1.21 2.19 -0.10 -1.59 1.01 -0.23 -0.24 120.40 120.24 2fr1 s VAL 1476Ca 0.23 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 2fr1 s VAL 1476Cb -0.12 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2fr1 s VAL 1476CO 0.14 -0.23 0.81 0.00 0.00 0.00 0.00 175.10 175.82 2fr1 s ALA 1477N 1.04 3.38 0.16 5.51 0.00 0.07 -0.68 121.76 131.23 2fr1 s ALA 1477Ca -0.02 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 2fr1 s ALA 1477Cb -0.20 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.84 2fr1 s ALA 1477CO -0.06 -0.35 0.53 -1.59 0.00 0.00 0.00 175.76 174.29 2fr1 s LYS 1478N 1.40 1.23 0.53 0.00 -2.85 -1.08 0.04 119.74 119.01 2fr1 s LYS 1478Ca 0.40 -0.60 -0.07 0.00 -1.00 0.00 0.00 55.97 54.71 2fr1 s LYS 1478Cb -0.18 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2fr1 s LYS 1478CO 0.18 -0.52 0.86 0.71 0.10 0.00 0.00 175.35 176.68 2fr1 s TYR 1479N -3.78 3.55 0.24 1.78 1.51 -1.26 -1.27 117.35 118.11 2fr1 s TYR 1479Ca 0.03 0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 56.70 2fr1 s TYR 1479Cb -0.00 -2.46 -0.11 0.00 -0.11 0.00 0.00 41.96 39.28 2fr1 s TYR 1479CO -0.11 -0.44 1.63 0.00 -1.11 0.00 0.00 175.55 175.51 2fr1 s ALA 1480N -2.89 3.82 -1.47 3.71 0.00 -1.26 -2.85 121.76 120.82 2fr1 s ALA 1480Ca 0.50 1.53 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 2fr1 s ALA 1480Cb -0.10 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.42 2fr1 s ALA 1480CO 0.47 -0.91 0.91 0.41 0.00 0.00 0.00 175.76 176.65 2fr1 n GLY 1481N 3.11 -0.44 3.17 0.00 0.00 -1.26 -4.98 105.19 104.79 2fr1 n GLY 1481Ca 0.12 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2fr1 n GLY 1481CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fr1 s THR 1482N -3.41 0.00 -1.68 2.61 2.01 -1.13 -4.88 115.64 109.16 2fr1 s THR 1482Ca 0.48 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 2fr1 s THR 1482Cb -0.24 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 71.87 2fr1 s THR 1482CO 0.82 -0.01 0.32 0.00 -0.69 0.00 0.00 174.62 175.06 2fr1 n ALA 1483N 2.87 -0.81 -0.13 7.40 0.00 -1.26 -4.48 120.51 124.11 2fr1 n ALA 1483Ca -0.13 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2fr1 n ALA 1483Cb 0.58 -3.10 -0.02 0.00 0.00 0.00 0.00 19.45 16.91 2fr1 n ALA 1483CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2fr1 h ASP 1484N -0.73 0.69 -0.65 0.00 3.32 -1.93 0.26 116.42 117.38 2fr1 h ASP 1484Ca -0.52 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2fr1 h ASP 1484Cb 1.37 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2fr1 h ASP 1484CO 0.58 0.88 0.41 -0.33 -1.72 0.00 0.00 179.24 179.06 2fr1 h GLU 1485N 0.49 0.86 -0.11 3.56 3.07 -2.00 -1.60 114.58 118.86 2fr1 h GLU 1485Ca 0.10 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 2fr1 h GLU 1485Cb 0.57 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2fr1 h GLU 1485CO 0.03 0.59 -0.57 1.15 -1.40 0.00 0.00 179.01 178.82 2fr1 h THR 1486N 0.88 1.36 -0.49 1.13 2.02 -1.92 -2.53 112.91 113.35 2fr1 h THR 1486Ca 0.23 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 2fr1 h THR 1486Cb -0.07 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2fr1 h THR 1486CO -0.05 0.56 0.26 -1.28 0.37 0.00 0.00 175.52 175.39 2fr1 h SER 1487N 0.25 0.62 -0.81 4.18 0.87 -0.42 0.36 113.55 118.60 2fr1 h SER 1487Ca 0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2fr1 h SER 1487Cb 1.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 2fr1 h SER 1487CO 0.09 0.55 0.34 0.74 -0.53 0.00 0.00 176.83 178.02 2fr1 h THR 1488N 0.65 1.26 -0.23 2.23 2.02 -1.23 0.99 112.91 118.60 2fr1 h THR 1488Ca 0.17 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 2fr1 h THR 1488Cb 0.07 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2fr1 h THR 1488CO -0.03 0.33 -0.23 0.00 0.37 0.00 0.00 175.52 175.97 2fr1 h ALA 1489N 1.20 1.18 -0.14 6.16 0.00 -1.00 -2.33 119.26 124.34 2fr1 h ALA 1489Ca 0.27 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2fr1 h ALA 1489Cb 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fr1 h ALA 1489CO -0.03 0.52 -0.80 0.00 0.00 0.00 0.00 179.25 178.95 2fr1 h ALA 1490N 1.38 0.32 0.53 0.00 0.00 -0.34 -2.66 119.26 118.48 2fr1 h ALA 1490Ca 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2fr1 h ALA 1490Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2fr1 h ALA 1490CO 0.04 0.69 -0.26 -0.09 0.00 0.00 0.00 179.25 179.63 2fr1 h ARG 1491N 0.52 -0.70 -0.83 0.00 2.43 -0.62 -0.85 114.38 114.33 2fr1 h ARG 1491Ca -0.06 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2fr1 h ARG 1491Cb 1.42 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 2fr1 h ARG 1491CO 0.16 -0.46 0.51 1.05 -1.51 0.00 0.00 179.97 179.72 2fr1 h GLU 1492N -0.72 1.12 -0.46 0.20 4.11 -1.52 0.35 114.58 117.66 2fr1 h GLU 1492Ca -0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2fr1 h GLU 1492Cb 0.56 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2fr1 h GLU 1492CO 0.11 0.77 0.23 0.00 0.07 0.00 0.00 179.01 180.20 2fr1 h ALA 1493N 1.43 0.59 -0.07 1.06 0.00 -1.27 0.12 119.26 121.11 2fr1 h ALA 1493Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2fr1 h ALA 1493Cb -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2fr1 h ALA 1493CO -0.06 0.13 -0.29 -0.07 0.00 0.00 0.00 179.25 178.96 2fr1 h LEU 1494N 0.60 0.38 -1.26 0.00 3.38 -0.67 -3.17 115.31 114.56 2fr1 h LEU 1494Ca 0.16 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2fr1 h LEU 1494Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2fr1 h LEU 1494CO -0.02 0.95 0.10 -0.33 0.09 0.00 0.00 178.44 179.22 2fr1 h GLU 1495N -0.17 0.61 0.00 1.13 5.08 -0.26 -0.15 114.58 120.82 2fr1 h GLU 1495Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2fr1 h GLU 1495Cb 0.93 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2fr1 h GLU 1495CO 0.06 0.56 0.00 0.43 -1.00 0.00 0.00 179.01 179.06 2fr1 n SER 1496N -4.32 0.44 -0.32 1.42 7.64 0.39 -0.96 113.62 117.92 2fr1 n SER 1496Ca 0.03 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.64 2fr1 n SER 1496Cb 0.20 -0.71 0.16 0.00 -1.01 0.00 0.00 64.21 62.85 2fr1 n SER 1496CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr1 n ALA 1497N -1.68 3.47 -0.58 -0.43 0.00 -0.09 -4.97 120.51 116.23 2fr1 n ALA 1497Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2fr1 n ALA 1497Cb 0.19 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2fr1 n ALA 1497CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fr1 n GLY 1498N 1.40 0.73 3.15 0.00 0.00 -0.13 0.18 105.19 110.52 2fr1 n GLY 1498Ca 0.10 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2fr1 n GLY 1498CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 s ALA 1499N -2.06 -0.43 -0.22 4.61 0.00 -1.20 -3.12 121.76 119.33 2fr1 s ALA 1499Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 2fr1 s ALA 1499Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2fr1 s ALA 1499CO 0.00 -0.25 0.52 1.03 0.00 0.00 0.00 175.76 177.05 2fr1 s ARG 1500N -1.62 4.14 -0.15 0.00 0.52 0.57 -4.04 118.95 118.37 2fr1 s ARG 1500Ca -0.13 0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 55.40 2fr1 s ARG 1500Cb -0.06 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2fr1 s ARG 1500CO 0.01 -0.22 0.06 0.08 0.02 0.00 0.00 175.30 175.25 2fr1 s VAL 1501N 1.88 4.82 -0.01 3.52 1.01 -1.26 0.32 120.40 130.68 2fr1 s VAL 1501Ca 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2fr1 s VAL 1501Cb -0.15 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2fr1 s VAL 1501CO 0.09 0.52 -0.08 -0.60 0.00 0.00 0.00 175.10 175.04 2fr1 s ARG 1502N -0.15 0.68 0.39 2.72 3.52 -0.40 -4.96 118.95 120.75 2fr1 s ARG 1502Ca 0.07 -0.27 -0.16 0.00 -0.13 0.00 0.00 55.73 55.24 2fr1 s ARG 1502Cb -0.12 -0.66 -0.09 0.00 -1.56 0.00 0.00 34.95 32.52 2fr1 s ARG 1502CO 0.01 0.15 0.83 -1.21 -0.81 0.00 0.00 175.30 174.27 2fr1 s GLU 1503N -0.08 4.03 -0.46 5.12 2.02 -1.26 -1.06 118.70 127.00 2fr1 s GLU 1503Ca 0.01 0.80 0.03 0.00 0.02 0.00 0.00 54.97 55.84 2fr1 s GLU 1503Cb -0.04 -2.32 0.14 0.00 0.10 0.00 0.00 34.13 32.01 2fr1 s GLU 1503CO -0.00 0.03 0.28 -1.17 0.02 0.00 0.00 175.26 174.41 2fr1 s LEU 1504N -3.28 2.75 -0.33 1.80 2.96 0.15 -4.79 118.68 117.94 2fr1 s LEU 1504Ca 0.57 -2.80 -0.29 0.00 -0.22 0.00 0.00 54.13 51.39 2fr1 s LEU 1504Cb -0.10 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 2fr1 s LEU 1504CO 0.20 -0.24 1.58 -0.69 -1.32 0.00 0.00 176.35 175.88 2fr1 s VAL 1505N 0.13 3.73 -0.04 1.68 1.01 -1.26 -2.64 120.40 123.02 2fr1 s VAL 1505Ca 0.20 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 2fr1 s VAL 1505Cb -0.19 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2fr1 s VAL 1505CO -0.04 -0.51 0.27 -0.69 0.00 0.00 0.00 175.10 174.13 2fr1 s VAL 1506N 5.76 5.28 -0.21 2.92 1.01 -0.40 -4.97 120.40 129.80 2fr1 s VAL 1506Ca 0.69 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2fr1 s VAL 1506Cb -0.20 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2fr1 s VAL 1506CO 0.31 0.52 0.41 -1.81 0.00 0.00 0.00 175.10 174.53 2fr1 s ASP 1507N -1.28 6.43 -0.12 3.32 -0.00 -1.26 -4.30 116.67 119.45 2fr1 s ASP 1507Ca 0.22 0.51 -0.40 0.00 -0.00 0.00 0.00 52.55 52.88 2fr1 s ASP 1507Cb -0.14 -2.24 -0.18 0.00 -0.00 0.00 0.00 42.92 40.37 2fr1 s ASP 1507CO 0.11 -0.11 1.41 0.00 -0.00 0.00 0.00 175.17 176.58 2fr1 n ALA 1508N 4.64 -1.58 -3.37 5.23 0.00 -1.26 -1.02 120.51 123.15 2fr1 n ALA 1508Ca -0.08 0.51 -0.24 0.00 0.00 0.00 0.00 53.44 53.63 2fr1 n ALA 1508Cb 0.51 -2.00 0.04 0.00 0.00 0.00 0.00 19.45 18.00 2fr1 n ALA 1508CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fr1 n ARG 1509N 3.16 -5.53 0.04 0.00 1.74 -1.26 -4.89 116.66 109.91 2fr1 n ARG 1509Ca 0.23 0.77 -0.06 0.00 -0.77 0.00 0.00 57.85 58.02 2fr1 n ARG 1509Cb 0.10 -5.66 0.13 0.00 -1.02 0.00 0.00 32.46 26.00 2fr1 n ARG 1509CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fr1 n GLY 1511N 0.05 2.38 0.18 0.00 0.00 -1.26 -4.67 105.19 101.87 2fr1 n GLY 1511Ca -0.02 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 2fr1 n GLY 1511CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2fr1 h ARG 1512N 0.00 0.49 -0.22 1.61 0.11 -1.95 -3.23 114.38 111.19 2fr1 h ARG 1512Ca 0.00 -0.42 0.02 0.00 0.10 0.00 0.00 59.98 59.68 2fr1 h ARG 1512Cb 0.00 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 2fr1 h ARG 1512CO 0.00 1.06 0.07 -0.44 0.10 0.00 0.00 179.97 180.76 2fr1 h ASP 1513N 0.32 0.07 -0.25 0.08 3.45 -1.91 0.28 116.42 118.45 2fr1 h ASP 1513Ca -0.05 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 2fr1 h ASP 1513Cb 1.39 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.17 2fr1 h ASP 1513CO 0.14 0.07 0.16 -0.08 -1.57 0.00 0.00 179.24 177.96 2fr1 h GLU 1514N 0.16 0.34 -0.32 3.56 4.81 -1.83 -2.45 114.58 118.85 2fr1 h GLU 1514Ca 0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2fr1 h GLU 1514Cb 0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2fr1 h GLU 1514CO -0.10 0.25 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.31 2fr1 h LEU 1515N 0.32 0.48 -0.65 1.64 3.38 -1.53 -2.69 115.31 116.27 2fr1 h LEU 1515Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fr1 h LEU 1515Cb -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2fr1 h LEU 1515CO -0.02 0.59 0.34 0.00 0.09 0.00 0.00 178.44 179.44 2fr1 h ALA 1516N 1.47 0.83 -0.27 1.53 0.00 -0.58 -0.67 119.26 121.57 2fr1 h ALA 1516Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2fr1 h ALA 1516Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2fr1 h ALA 1516CO 0.02 0.37 0.04 1.49 0.00 0.00 0.00 179.25 181.17 2fr1 h GLU 1517N 0.89 0.44 -0.38 0.00 4.57 -1.23 -2.74 114.58 116.14 2fr1 h GLU 1517Ca 0.23 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2fr1 h GLU 1517Cb 0.07 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2fr1 h GLU 1517CO -0.03 0.56 0.01 0.00 -1.18 0.00 0.00 179.01 178.37 2fr1 h ARG 1518N 0.26 0.59 0.00 1.92 3.08 -1.29 -2.32 114.38 116.61 2fr1 h ARG 1518Ca 0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2fr1 h ARG 1518Cb 0.33 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2fr1 h ARG 1518CO 0.01 0.61 0.00 -0.07 -1.07 0.00 0.00 179.97 179.44 2fr1 h LEU 1519N 0.56 0.00 -0.85 3.04 3.38 -1.04 -2.63 115.31 117.78 2fr1 h LEU 1519Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2fr1 h LEU 1519Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2fr1 h LEU 1519CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 2fr1 n ARG 1520N -2.68 1.56 -0.02 1.13 1.74 -0.87 -3.86 116.66 113.66 2fr1 n ARG 1520Ca 0.03 -0.84 0.01 0.00 -0.77 0.00 0.00 57.85 56.28 2fr1 n ARG 1520Cb 0.34 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 2fr1 n ARG 1520CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2fr1 n SER 1521N 0.07 2.97 0.25 0.55 7.64 -0.99 -4.57 113.62 119.53 2fr1 n SER 1521Ca 0.15 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.19 2fr1 n SER 1521Cb 0.27 1.15 0.60 0.00 -1.01 0.00 0.00 64.21 65.21 2fr1 n SER 1521CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2fr1 h VAL 1522N 0.00 0.00 0.00 0.44 3.04 -1.66 -3.49 116.25 114.58 2fr1 h VAL 1522Ca -0.08 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2fr1 h VAL 1522Cb 0.81 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2fr1 h VAL 1522CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 2fr1 n GLY 1523N 0.16 -0.18 3.71 3.17 0.00 -1.26 -4.86 105.19 105.93 2fr1 n GLY 1523Ca 0.01 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2fr1 n GLY 1523CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fr1 s GLU 1524N 0.00 4.27 -0.09 1.61 0.41 -1.26 -4.98 118.70 118.67 2fr1 s GLU 1524Ca 0.00 2.19 0.03 0.00 -0.41 0.00 0.00 54.97 56.78 2fr1 s GLU 1524Cb 0.00 -3.25 0.01 0.00 -1.78 0.00 0.00 34.13 29.10 2fr1 s GLU 1524CO 0.00 -0.52 -0.19 0.08 -0.49 0.00 0.00 175.26 174.14 2fr1 s VAL 1525N 1.27 1.68 0.06 2.63 1.01 -1.26 -4.60 120.40 121.18 2fr1 s VAL 1525Ca 0.67 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2fr1 s VAL 1525Cb -0.39 -1.48 -0.26 0.00 0.00 0.00 0.00 36.38 34.25 2fr1 s VAL 1525CO 0.30 0.48 1.06 0.00 0.00 0.00 0.00 175.10 176.94 2fr1 h ALA 1526N 6.82 0.25 -1.74 5.51 0.00 -1.17 -3.42 119.26 125.51 2fr1 h ALA 1526Ca -0.24 -0.99 0.25 0.00 0.00 0.00 0.00 54.91 53.92 2fr1 h ALA 1526Cb 1.22 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2fr1 h ALA 1526CO 0.47 1.12 0.71 0.20 0.00 0.00 0.00 179.25 181.76 2fr1 s GLY 1527N -4.78 -0.35 -0.07 0.00 0.00 -1.24 -4.52 107.32 96.35 2fr1 s GLY 1527Ca -0.04 0.90 0.02 0.00 0.00 0.00 0.00 44.72 45.60 2fr1 s GLY 1527CO 0.86 0.25 -0.10 0.14 0.00 0.00 0.00 173.10 174.25 2fr1 s VAL 1528N -2.68 1.02 -0.21 1.40 1.01 -1.00 -1.49 120.40 118.46 2fr1 s VAL 1528Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2fr1 s VAL 1528Cb 0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2fr1 s VAL 1528CO -0.04 0.34 0.00 -0.22 0.00 0.00 0.00 175.10 175.18 2fr1 s LEU 1529N 0.85 3.23 -0.22 3.92 2.96 0.67 -0.86 118.68 129.23 2fr1 s LEU 1529Ca -0.11 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 2fr1 s LEU 1529Cb -0.15 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2fr1 s LEU 1529CO 0.01 0.04 0.21 -0.55 -1.32 0.00 0.00 176.35 174.74 2fr1 s SER 1530N 1.16 6.20 -0.14 3.68 0.15 0.14 -0.75 113.70 124.15 2fr1 s SER 1530Ca 0.03 0.22 0.18 0.00 0.70 0.00 0.00 55.95 57.09 2fr1 s SER 1530Cb -0.14 -2.13 0.34 0.00 -1.71 0.00 0.00 66.02 62.37 2fr1 s SER 1530CO 0.01 0.05 1.21 0.18 1.20 0.00 0.00 173.24 175.89 2fr1 n LEU 1531N 4.19 2.67 -0.09 3.45 4.77 0.11 -1.80 117.00 130.31 2fr1 n LEU 1531Ca -0.14 -3.08 0.06 0.00 -0.03 0.00 0.00 56.01 52.82 2fr1 n LEU 1531Cb 0.52 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.56 2fr1 n LEU 1531CO 0.36 0.71 1.19 -0.07 -1.33 0.00 0.00 177.39 178.25 2fr1 h LEU 1532N 0.37 0.54 -0.71 2.23 3.38 -1.85 -1.55 115.31 117.73 2fr1 h LEU 1532Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fr1 h LEU 1532Cb 1.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2fr1 h LEU 1532CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.94 2fr1 n ALA 1533N -2.47 2.57 -2.38 1.53 0.00 -1.26 -4.68 120.51 113.82 2fr1 n ALA 1533Ca 0.07 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.74 2fr1 n ALA 1533Cb 0.17 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2fr1 n ALA 1533CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fr1 s VAL 1534N -1.90 4.81 -1.44 0.00 1.01 -0.58 -3.92 120.40 118.37 2fr1 s VAL 1534Ca 0.34 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 2fr1 s VAL 1534Cb 0.17 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.65 2fr1 s VAL 1534CO 0.28 0.47 0.65 -0.67 0.00 0.00 0.00 175.10 175.82 2fr1 n ASP 1535N 2.33 -5.11 -4.68 3.32 2.03 -1.26 -4.47 116.55 108.71 2fr1 n ASP 1535Ca -0.08 -0.40 -0.36 0.00 0.52 0.00 0.00 54.79 54.48 2fr1 n ASP 1535Cb 0.51 -4.14 -0.09 0.00 -0.72 0.00 0.00 41.12 36.68 2fr1 n ASP 1535CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2fr1 s GLU 1536N -5.96 4.12 0.31 -0.67 2.12 -1.25 -4.84 118.70 112.52 2fr1 s GLU 1536Ca 0.40 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 55.24 2fr1 s GLU 1536Cb -0.19 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 2fr1 s GLU 1536CO 0.49 0.12 1.04 0.00 -0.54 0.00 0.00 175.26 176.37 2fr1 s ALA 1537N 0.87 3.29 0.26 6.30 0.00 -1.26 -5.00 121.76 126.22 2fr1 s ALA 1537Ca 0.09 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 2fr1 s ALA 1537Cb -0.13 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2fr1 s ALA 1537CO 0.03 -0.07 1.49 -1.21 0.00 0.00 0.00 175.76 176.00 2fr1 s GLU 1538N -1.74 4.22 -0.46 0.00 8.01 -1.26 -4.95 118.70 122.51 2fr1 s GLU 1538Ca 0.48 2.38 -0.26 0.00 0.01 0.00 0.00 54.97 57.58 2fr1 s GLU 1538Cb -0.27 -3.08 0.03 0.00 -4.31 0.00 0.00 34.13 26.50 2fr1 s GLU 1538CO 0.34 -0.49 0.98 -1.25 0.01 0.00 0.00 175.26 174.86 2fr1 s PRO 1539N -0.38 3.59 1.09 0.39 0.04 -1.26 -5.04 135.00 133.43 2fr1 s PRO 1539Ca 0.61 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 2fr1 s PRO 1539Cb -0.44 -3.92 0.24 0.00 0.04 0.00 0.00 34.50 30.43 2fr1 s PRO 1539CO 0.44 -1.26 1.06 -1.21 0.04 0.00 0.00 177.00 176.07 2fr1 s GLU 1540N 3.94 -0.34 0.00 4.56 8.01 -1.26 -3.17 118.70 130.44 2fr1 s GLU 1540Ca 0.40 0.83 0.00 0.00 0.01 0.00 0.00 54.97 56.21 2fr1 s GLU 1540Cb -0.09 -1.62 0.00 0.00 -4.31 0.00 0.00 34.13 28.10 2fr1 s GLU 1540CO 0.28 -3.33 0.00 -1.91 0.01 0.00 0.00 175.26 170.31 2fr1 n GLU 1541N -4.64 0.00 -3.87 1.61 2.13 -1.26 -4.53 120.64 110.09 2fr1 n GLU 1541Ca 0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.56 2fr1 n GLU 1541Cb 0.55 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.11 2fr1 n GLU 1541CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fr1 s ALA 1542N 0.00 2.33 0.42 4.31 0.00 -1.25 -5.01 121.76 122.57 2fr1 s ALA 1542Ca 0.00 -2.29 0.11 0.00 0.00 0.00 0.00 51.96 49.78 2fr1 s ALA 1542Cb 0.00 -1.85 0.94 0.00 0.00 0.00 0.00 23.12 22.22 2fr1 s ALA 1542CO 0.00 -1.76 2.01 -1.00 0.00 0.00 0.00 175.76 175.01 2fr1 h PRO 1543N 7.58 0.47 -0.34 0.00 0.13 -1.78 -1.24 132.00 136.83 2fr1 h PRO 1543Ca -0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2fr1 h PRO 1543Cb 0.99 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2fr1 h PRO 1543CO 0.51 0.31 0.00 1.28 -0.23 0.00 0.00 178.00 179.88 2fr1 n LEU 1544N -4.47 0.76 -0.82 1.56 4.77 -1.26 -3.12 117.00 114.41 2fr1 n LEU 1544Ca 0.07 -0.38 0.07 0.00 -0.03 0.00 0.00 56.01 55.74 2fr1 n LEU 1544Cb 0.23 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.33 2fr1 n LEU 1544CO 0.34 0.16 0.66 0.00 -1.33 0.00 0.00 177.39 177.23 2fr1 n ALA 1545N -0.16 2.44 -1.64 -1.18 0.00 -0.47 -4.41 120.51 115.08 2fr1 n ALA 1545Ca 0.03 -0.78 -0.56 0.00 0.00 0.00 0.00 53.44 52.13 2fr1 n ALA 1545Cb 0.15 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 2fr1 n ALA 1545CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fr1 n LEU 1546N 0.79 1.80 -0.28 0.00 4.77 -1.18 -4.85 117.00 118.05 2fr1 n LEU 1546Ca 0.15 1.11 0.02 0.00 -0.03 0.00 0.00 56.01 57.25 2fr1 n LEU 1546Cb 0.38 -1.13 0.22 0.00 -2.33 0.00 0.00 43.42 40.56 2fr1 n LEU 1546CO 0.10 -0.84 1.25 0.00 -1.33 0.00 0.00 177.39 176.57 2fr1 h ALA 1547N 5.58 1.46 0.00 -1.18 0.00 -1.94 -1.94 119.26 121.24 2fr1 h ALA 1547Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2fr1 h ALA 1547Cb 1.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2fr1 h ALA 1547CO 0.86 0.46 -0.09 0.66 0.00 0.00 0.00 179.25 181.14 2fr1 h SER 1548N 1.08 0.00 0.03 0.00 4.64 -1.89 0.97 113.55 118.38 2fr1 h SER 1548Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2fr1 h SER 1548Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2fr1 h SER 1548CO -0.10 0.09 -0.01 0.25 -0.87 0.00 0.00 176.83 176.19 2fr1 h LEU 1549N 0.00 -0.03 -0.79 5.97 5.85 -1.72 -1.09 115.31 123.49 2fr1 h LEU 1549Ca -0.00 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 2fr1 h LEU 1549Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2fr1 h LEU 1549CO 0.01 0.61 0.33 0.00 -0.34 0.00 0.00 178.44 179.05 2fr1 h ALA 1550N 0.24 1.03 0.00 1.25 0.00 -1.33 -2.76 119.26 117.69 2fr1 h ALA 1550Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2fr1 h ALA 1550Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2fr1 h ALA 1550CO 0.01 0.64 -0.35 -0.44 0.00 0.00 0.00 179.25 179.11 2fr1 h ASP 1551N 1.15 0.00 -0.30 0.00 3.32 -0.87 -2.09 116.42 117.62 2fr1 h ASP 1551Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2fr1 h ASP 1551Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2fr1 h ASP 1551CO -0.02 0.35 -0.13 0.74 -1.72 0.00 0.00 179.24 178.45 2fr1 h THR 1552N 0.00 1.29 -0.48 0.35 2.02 -0.99 0.77 112.91 115.87 2fr1 h THR 1552Ca -0.00 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 2fr1 h THR 1552Cb 1.14 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2fr1 h THR 1552CO 0.05 0.39 0.10 -0.07 0.37 0.00 0.00 175.52 176.36 2fr1 h LEU 1553N 0.38 0.74 -0.84 2.58 3.38 -1.45 -0.95 115.31 119.15 2fr1 h LEU 1553Ca 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2fr1 h LEU 1553Cb 0.65 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2fr1 h LEU 1553CO 0.04 0.79 0.43 0.28 0.09 0.00 0.00 178.44 180.07 2fr1 h SER 1554N 0.65 1.07 -0.37 -0.43 0.02 -1.22 -0.88 113.55 112.39 2fr1 h SER 1554Ca 0.15 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2fr1 h SER 1554Cb 0.35 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2fr1 h SER 1554CO 0.00 0.88 0.07 0.25 -1.14 0.00 0.00 176.83 176.90 2fr1 h LEU 1555N 1.18 0.58 0.12 5.07 6.46 -0.56 0.08 115.31 128.24 2fr1 h LEU 1555Ca 0.29 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2fr1 h LEU 1555Cb 0.07 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2fr1 h LEU 1555CO -0.04 0.68 -0.06 0.58 -0.62 0.00 0.00 178.44 178.98 2fr1 h VAL 1556N 0.46 0.91 -0.81 1.05 2.07 -0.88 0.12 116.25 119.17 2fr1 h VAL 1556Ca 0.12 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2fr1 h VAL 1556Cb 0.34 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2fr1 h VAL 1556CO 0.00 0.03 0.51 1.56 0.02 0.00 0.00 177.57 179.69 2fr1 h GLN 1557N -0.21 1.08 -0.59 1.57 4.20 -1.13 -1.46 115.11 118.56 2fr1 h GLN 1557Ca -0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2fr1 h GLN 1557Cb 0.17 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2fr1 h GLN 1557CO 0.03 0.74 0.26 0.00 -0.67 0.00 0.00 178.83 179.19 2fr1 h ALA 1558N 1.28 0.77 -0.38 3.87 0.00 -0.67 -1.28 119.26 122.84 2fr1 h ALA 1558Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2fr1 h ALA 1558Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2fr1 h ALA 1558CO -0.06 0.36 0.16 0.52 0.00 0.00 0.00 179.25 180.24 2fr1 h MET 1559N 0.82 0.53 -0.11 0.00 2.86 -0.22 0.38 114.93 119.19 2fr1 h MET 1559Ca 0.20 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.58 2fr1 h MET 1559Cb 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2fr1 h MET 1559CO -0.02 0.44 -0.75 0.28 1.06 0.00 0.00 176.91 177.92 2fr1 h VAL 1560N 0.54 1.34 -0.13 -2.22 2.07 -0.78 -2.60 116.25 114.46 2fr1 h VAL 1560Ca 0.13 -2.07 -0.10 0.00 0.82 0.00 0.00 66.70 65.48 2fr1 h VAL 1560Cb 0.09 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2fr1 h VAL 1560CO -0.02 0.64 -0.30 0.28 0.02 0.00 0.00 177.57 178.19 2fr1 h SER 1561N 0.39 0.50 0.45 0.57 0.02 -0.60 -2.92 113.55 111.96 2fr1 h SER 1561Ca -0.04 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2fr1 h SER 1561Cb 1.35 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2fr1 h SER 1561CO 0.14 0.98 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 2fr1 n ALA 1562N -2.49 1.75 -3.79 3.77 0.00 0.06 -4.89 120.51 114.93 2fr1 n ALA 1562Ca -0.07 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 2fr1 n ALA 1562Cb 0.48 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.70 2fr1 n ALA 1562CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2fr1 n GLU 1563N -1.43 -5.08 0.18 0.00 1.02 -1.00 -4.87 120.64 109.45 2fr1 n GLU 1563Ca 0.05 0.60 0.03 0.00 -0.02 0.00 0.00 57.16 57.82 2fr1 n GLU 1563Cb 0.16 -5.26 0.41 0.00 -0.02 0.00 0.00 31.44 26.73 2fr1 n GLU 1563CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2fr1 h LEU 1564N -1.96 0.07 1.20 -4.62 3.38 -1.81 -3.47 115.31 108.11 2fr1 h LEU 1564Ca -0.60 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.08 2fr1 h LEU 1564Cb 1.37 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 2fr1 h LEU 1564CO 0.61 0.32 -0.29 0.61 0.09 0.00 0.00 178.44 179.78 2fr1 n GLY 1565N -0.75 0.68 3.35 0.83 0.00 -1.26 -4.70 105.19 103.35 2fr1 n GLY 1565Ca -0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2fr1 n GLY 1565CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 s PRO 1567N -2.92 3.95 -0.12 0.00 0.04 -1.25 -4.46 135.00 130.25 2fr1 s PRO 1567Ca 0.18 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2fr1 s PRO 1567Cb -0.05 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2fr1 s PRO 1567CO 0.07 -0.25 -0.06 -1.17 0.04 0.00 0.00 177.00 175.63 2fr1 s LEU 1568N -4.01 3.13 -0.20 -3.56 2.96 0.26 -2.36 118.68 114.89 2fr1 s LEU 1568Ca 0.59 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2fr1 s LEU 1568Cb -0.10 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2fr1 s LEU 1568CO 0.30 0.24 -0.15 0.26 -1.32 0.00 0.00 176.35 175.68 2fr1 s TRP 1569N -0.05 2.90 -0.20 5.38 0.52 -0.04 0.44 118.94 127.90 2fr1 s TRP 1569Ca 0.00 -1.62 -0.08 0.00 0.02 0.00 0.00 56.10 54.43 2fr1 s TRP 1569Cb -0.13 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 2fr1 s TRP 1569CO 0.03 -0.77 0.08 0.99 0.02 0.00 0.00 176.95 177.29 2fr1 s THR 1570N 1.30 4.79 -0.11 2.01 2.01 -0.68 0.27 115.64 125.23 2fr1 s THR 1570Ca 0.03 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2fr1 s THR 1570Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2fr1 s THR 1570CO -0.10 0.43 0.06 -0.69 -0.69 0.00 0.00 174.62 173.63 2fr1 s VAL 1571N 0.64 4.84 0.21 3.82 1.01 -0.74 -0.92 120.40 129.26 2fr1 s VAL 1571Ca 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2fr1 s VAL 1571Cb -0.13 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2fr1 s VAL 1571CO 0.01 0.60 -0.11 0.42 0.00 0.00 0.00 175.10 176.03 2fr1 s THR 1572N -0.83 1.54 -0.24 3.92 -4.23 -0.04 -4.31 115.64 111.45 2fr1 s THR 1572Ca 0.13 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2fr1 s THR 1572Cb -0.12 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.64 2fr1 s THR 1572CO 0.03 -0.55 -0.08 -1.61 -0.54 0.00 0.00 174.62 171.88 2fr1 s GLU 1573N -3.70 2.89 -1.18 3.99 2.02 -1.26 -0.82 118.70 120.64 2fr1 s GLU 1573Ca 0.23 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.21 2fr1 s GLU 1573Cb 0.01 -2.94 0.06 0.00 0.10 0.00 0.00 34.13 31.37 2fr1 s GLU 1573CO 0.07 -0.36 0.39 0.43 0.02 0.00 0.00 175.26 175.80 2fr1 n SER 1574N 4.67 -3.48 0.14 -0.19 7.64 -0.23 -4.70 113.62 117.46 2fr1 n SER 1574Ca -0.17 -0.27 0.13 0.00 1.01 0.00 0.00 58.87 59.56 2fr1 n SER 1574Cb 0.48 -2.91 0.35 0.00 -1.01 0.00 0.00 64.21 61.12 2fr1 n SER 1574CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr1 h ALA 1575N 0.97 1.00 -2.27 -0.43 0.00 -1.85 -2.04 119.26 114.64 2fr1 h ALA 1575Ca -0.39 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 2fr1 h ALA 1575Cb 1.26 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2fr1 h ALA 1575CO 0.48 0.00 -0.67 0.14 0.00 0.00 0.00 179.25 179.20 2fr1 s VAL 1576N -3.14 0.73 -0.13 0.00 -7.23 -1.26 -4.55 120.40 104.81 2fr1 s VAL 1576Ca 0.09 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2fr1 s VAL 1576Cb 0.10 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2fr1 s VAL 1576CO 0.61 -0.51 -0.19 0.00 -0.31 0.00 0.00 175.10 174.70 2fr1 s ALA 1577N -3.62 2.07 -1.21 1.32 0.00 -1.26 -4.76 121.76 114.30 2fr1 s ALA 1577Ca 0.23 -0.99 0.29 0.00 0.00 0.00 0.00 51.96 51.49 2fr1 s ALA 1577Cb 0.06 -0.96 1.28 0.00 0.00 0.00 0.00 23.12 23.49 2fr1 s ALA 1577CO 0.03 -0.09 1.93 0.25 0.00 0.00 0.00 175.76 177.88 2fr1 n THR 1578N 4.19 0.00 -3.58 0.00 -2.24 -1.26 -4.87 114.28 106.52 2fr1 n THR 1578Ca -0.20 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2fr1 n THR 1578Cb 0.51 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2fr1 n THR 1578CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2fr1 s GLY 1579N -2.81 -0.40 0.64 3.38 0.00 -1.26 -4.54 107.32 102.33 2fr1 s GLY 1579Ca 0.20 0.59 0.43 0.00 0.00 0.00 0.00 44.72 45.94 2fr1 s GLY 1579CO 0.52 0.19 2.31 -2.55 0.00 0.00 0.00 173.10 173.56 2fr1 h PRO 1580N 2.00 0.00 0.00 2.90 0.11 -2.02 -1.67 132.00 133.32 2fr1 h PRO 1580Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2fr1 h PRO 1580Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2fr1 h PRO 1580CO 0.30 0.00 -0.14 1.97 -0.21 0.00 0.00 178.00 179.92 2fr1 n PHE 1581N -3.01 0.08 -3.90 0.65 1.16 -1.26 -4.79 117.46 106.38 2fr1 n PHE 1581Ca -0.03 0.02 -0.35 0.00 -1.87 0.00 0.00 57.45 55.23 2fr1 n PHE 1581Cb 0.07 -0.47 -0.05 0.00 -1.61 0.00 0.00 39.48 37.42 2fr1 n PHE 1581CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2fr1 s GLU 1582N -3.01 3.43 -0.07 3.97 2.02 -0.63 -5.10 118.70 119.31 2fr1 s GLU 1582Ca 0.13 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2fr1 s GLU 1582Cb 0.18 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 2fr1 s GLU 1582CO 0.58 0.71 -0.07 0.50 0.02 0.00 0.00 175.26 177.00 2fr1 s ARG 1583N -1.63 2.79 -0.20 1.61 3.52 -1.26 -4.84 118.95 118.95 2fr1 s ARG 1583Ca 0.23 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 2fr1 s ARG 1583Cb -0.12 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2fr1 s ARG 1583CO 0.14 0.63 1.16 0.08 -0.81 0.00 0.00 175.30 176.49 2fr1 s VAL 1584N -0.72 4.47 -0.03 7.11 1.01 -1.26 -4.86 120.40 126.11 2fr1 s VAL 1584Ca 0.11 1.77 -0.23 0.00 0.00 0.00 0.00 61.98 63.64 2fr1 s VAL 1584Cb -0.11 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 2fr1 s VAL 1584CO 0.02 -0.16 1.01 -0.09 0.00 0.00 0.00 175.10 175.87 2fr1 h ARG 1585N 7.86 -0.22 -4.35 2.72 2.43 -1.65 -3.43 114.38 117.74 2fr1 h ARG 1585Ca -0.23 0.02 -0.58 0.00 -0.81 0.00 0.00 59.98 58.38 2fr1 h ARG 1585Cb 1.08 0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 30.31 2fr1 h ARG 1585CO 0.98 0.20 -0.80 1.21 -1.51 0.00 0.00 179.97 180.04 2fr1 s ASN 1586N -5.42 2.91 0.56 -3.80 3.04 -1.26 -5.00 114.94 105.97 2fr1 s ASN 1586Ca -0.13 -0.67 0.29 0.00 0.04 0.00 0.00 52.86 52.39 2fr1 s ASN 1586Cb 0.01 -1.03 1.64 0.00 -1.54 0.00 0.00 41.25 40.33 2fr1 s ASN 1586CO 0.52 -0.15 2.16 0.00 -3.04 0.00 0.00 177.10 176.59 2fr1 h ALA 1587N 8.07 1.35 -0.09 1.71 0.00 -1.89 -2.28 119.26 126.13 2fr1 h ALA 1587Ca -0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2fr1 h ALA 1587Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2fr1 h ALA 1587CO 0.44 0.08 -0.32 0.00 0.00 0.00 0.00 179.25 179.45 2fr1 h ALA 1588N 1.93 1.30 0.00 0.00 0.00 -1.88 -2.47 119.26 118.15 2fr1 h ALA 1588Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2fr1 h ALA 1588Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fr1 h ALA 1588CO 0.01 0.49 -0.00 0.45 0.00 0.00 0.00 179.25 180.19 2fr1 h HIS 1589N 0.15 0.00 0.00 0.00 3.86 -1.77 0.94 115.15 118.33 2fr1 h HIS 1589Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2fr1 h HIS 1589Cb 0.64 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 2fr1 h HIS 1589CO 0.01 0.00 -0.09 0.78 0.86 0.00 0.00 177.93 179.49 2fr1 h GLY 1590N 0.05 0.00 1.50 2.45 0.00 -1.58 -2.14 103.07 103.35 2fr1 h GLY 1590Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2fr1 h GLY 1590CO 0.00 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.84 2fr1 h ALA 1591N 1.91 1.74 -0.67 3.60 0.00 -0.97 -0.83 119.26 124.04 2fr1 h ALA 1591Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2fr1 h ALA 1591Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2fr1 h ALA 1591CO 0.01 0.22 0.33 -0.07 0.00 0.00 0.00 179.25 179.74 2fr1 h LEU 1592N 0.55 0.87 -0.77 0.00 4.07 -1.53 0.94 115.31 119.44 2fr1 h LEU 1592Ca 0.18 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2fr1 h LEU 1592Cb 0.03 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 2fr1 h LEU 1592CO -0.04 0.75 -0.21 -0.50 -1.08 0.00 0.00 178.44 177.35 2fr1 h TRP 1593N 0.92 0.79 0.04 1.13 4.06 -1.36 0.33 115.95 121.86 2fr1 h TRP 1593Ca 0.23 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2fr1 h TRP 1593Cb 0.11 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2fr1 h TRP 1593CO 0.00 0.86 -0.02 0.78 -3.56 0.00 0.00 178.44 176.50 2fr1 h GLY 1594N 0.98 -0.05 2.00 1.49 0.00 -0.71 -2.08 103.07 104.70 2fr1 h GLY 1594Ca 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 2fr1 h GLY 1594CO 0.05 -0.02 -0.59 -0.24 0.00 0.00 0.00 176.54 175.74 2fr1 h VAL 1595N -0.43 1.38 -0.98 4.60 3.04 -0.83 -3.03 116.25 120.00 2fr1 h VAL 1595Ca -0.01 -2.06 0.01 0.00 -1.01 0.00 0.00 66.70 63.63 2fr1 h VAL 1595Cb 0.40 2.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.75 2fr1 h VAL 1595CO 0.01 0.58 0.65 1.23 -1.01 0.00 0.00 177.57 179.03 2fr1 h GLY 1596N 1.89 1.38 1.59 3.17 0.00 -0.22 -1.36 103.07 109.52 2fr1 h GLY 1596Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2fr1 h GLY 1596CO 0.08 0.51 0.03 3.21 0.00 0.00 0.00 176.54 180.36 2fr1 h ARG 1597N 1.33 0.52 -0.00 4.80 3.08 -1.25 -1.96 114.38 120.90 2fr1 h ARG 1597Ca 0.36 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 60.06 2fr1 h ARG 1597Cb -0.15 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 29.83 2fr1 h ARG 1597CO -0.08 0.53 -0.99 0.28 -1.07 0.00 0.00 179.97 178.64 2fr1 h VAL 1598N 0.50 1.34 -0.25 2.04 2.07 -1.44 -3.15 116.25 117.36 2fr1 h VAL 1598Ca 0.11 -2.34 -0.05 0.00 0.82 0.00 0.00 66.70 65.24 2fr1 h VAL 1598Cb 0.28 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2fr1 h VAL 1598CO 0.01 0.71 -0.05 0.40 0.02 0.00 0.00 177.57 178.65 2fr1 h ILE 1599N 0.32 1.18 -0.33 4.57 2.04 -0.99 -1.59 117.51 122.71 2fr1 h ILE 1599Ca -0.10 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 2fr1 h ILE 1599Cb 1.64 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2fr1 h ILE 1599CO 0.18 0.25 0.03 0.00 0.00 0.00 0.00 178.15 178.61 2fr1 h ALA 1600N 1.58 1.44 0.09 1.87 0.00 -1.32 0.31 119.26 123.23 2fr1 h ALA 1600Ca 0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 2fr1 h ALA 1600Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2fr1 h ALA 1600CO 0.01 0.40 -1.33 -0.07 0.00 0.00 0.00 179.25 178.27 2fr1 h LEU 1601N 0.48 0.28 0.00 0.00 3.38 -1.39 -2.98 115.31 115.09 2fr1 h LEU 1601Ca 0.11 -0.35 -0.23 0.00 0.09 0.00 0.00 57.88 57.50 2fr1 h LEU 1601Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2fr1 h LEU 1601CO 0.00 1.28 -1.14 -0.33 0.09 0.00 0.00 178.44 178.35 2fr1 h GLU 1602N 0.05 0.00 -1.31 1.13 5.08 -1.11 -3.41 114.58 115.01 2fr1 h GLU 1602Ca -0.16 -0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.81 2fr1 h GLU 1602Cb 1.95 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.92 2fr1 h GLU 1602CO 0.16 0.90 -0.80 -1.71 -1.00 0.00 0.00 179.01 176.57 2fr1 n ASN 1603N -3.29 -1.48 -0.29 1.42 2.85 0.08 -5.01 115.26 109.54 2fr1 n ASN 1603Ca -0.03 -2.85 0.03 0.00 -0.11 0.00 0.00 54.58 51.62 2fr1 n ASN 1603Cb 0.96 0.51 0.17 0.00 1.24 0.00 0.00 39.78 42.66 2fr1 n ASN 1603CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2fr1 h PRO 1604N 4.49 0.75 -0.24 1.20 0.11 -1.68 -2.58 132.00 134.05 2fr1 h PRO 1604Ca 0.04 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.18 2fr1 h PRO 1604Cb 0.97 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2fr1 h PRO 1604CO 0.33 0.50 0.29 0.00 -0.21 0.00 0.00 178.00 178.91 2fr1 h ALA 1605N 1.46 1.85 -0.00 -0.75 0.00 -1.94 -2.15 119.26 117.73 2fr1 h ALA 1605Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2fr1 h ALA 1605Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2fr1 h ALA 1605CO -0.25 -0.42 -0.59 1.55 0.00 0.00 0.00 179.25 179.53 2fr1 n VAL 1606N -3.67 0.00 -3.74 0.00 3.14 -0.98 -3.80 118.33 109.27 2fr1 n VAL 1606Ca 0.03 -0.20 -0.37 0.00 -2.96 0.00 0.00 64.34 60.84 2fr1 n VAL 1606Cb 0.43 1.06 -0.12 0.00 -1.06 0.00 0.00 33.84 34.14 2fr1 n VAL 1606CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 2fr1 s TRP 1607N -2.26 3.13 -0.05 1.45 -0.11 -0.81 -0.58 118.94 119.72 2fr1 s TRP 1607Ca 0.08 -0.76 -0.01 0.00 1.22 0.00 0.00 56.10 56.63 2fr1 s TRP 1607Cb 0.12 -2.26 -0.00 0.00 -1.50 0.00 0.00 33.47 29.82 2fr1 s TRP 1607CO 0.55 -0.50 -0.02 0.78 -4.62 0.00 0.00 176.95 173.14 2fr1 h GLY 1608N 8.25 0.00 0.00 5.86 0.00 -0.28 -3.43 103.07 113.47 2fr1 h GLY 1608Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2fr1 h GLY 1608CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2fr1 n GLY 1609N 1.86 -1.46 3.26 4.60 0.00 -0.97 -4.74 105.19 107.74 2fr1 n GLY 1609Ca -0.01 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2fr1 n GLY 1609CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fr1 s LEU 1610N 0.00 2.05 -0.08 0.99 1.43 0.11 -1.69 118.68 121.48 2fr1 s LEU 1610Ca 0.00 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2fr1 s LEU 1610Cb 0.00 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2fr1 s LEU 1610CO 0.00 0.25 -0.02 -0.69 0.23 0.00 0.00 176.35 176.12 2fr1 s VAL 1611N -0.25 0.55 -0.14 -1.59 1.01 -0.10 -1.49 120.40 118.39 2fr1 s VAL 1611Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2fr1 s VAL 1611Cb -0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2fr1 s VAL 1611CO 0.02 0.29 0.10 -0.62 0.00 0.00 0.00 175.10 174.89 2fr1 s ASP 1612N 1.84 6.03 0.20 3.32 2.15 0.08 -0.86 116.67 129.43 2fr1 s ASP 1612Ca 0.04 0.30 0.06 0.00 0.43 0.00 0.00 52.55 53.38 2fr1 s ASP 1612Cb -0.12 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.49 2fr1 s ASP 1612CO -0.06 0.32 -0.09 0.68 -0.17 0.00 0.00 175.17 175.85 2fr1 s VAL 1613N -0.49 1.40 0.27 1.11 -7.23 0.00 -0.30 120.40 115.17 2fr1 s VAL 1613Ca 0.11 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2fr1 s VAL 1613Cb -0.12 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.61 2fr1 s VAL 1613CO 0.02 -0.55 1.58 -2.84 -0.31 0.00 0.00 175.10 173.00 2fr1 s PRO 1614N -3.73 4.15 0.20 4.82 0.02 -1.25 -1.07 135.00 138.13 2fr1 s PRO 1614Ca 0.23 2.52 -0.33 0.00 0.02 0.00 0.00 61.00 63.45 2fr1 s PRO 1614Cb 0.02 -3.05 -0.14 0.00 0.02 0.00 0.00 34.50 31.36 2fr1 s PRO 1614CO 0.06 -0.61 1.47 0.00 -0.33 0.00 0.00 177.00 177.60 2fr1 n ALA 1615N 2.47 1.08 -0.13 -1.55 0.00 -1.26 -1.18 120.51 119.94 2fr1 n ALA 1615Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2fr1 n ALA 1615Cb 0.38 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2fr1 n ALA 1615CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fr1 n GLY 1616N 2.72 2.35 3.89 0.00 0.00 -1.26 -5.00 105.19 107.90 2fr1 n GLY 1616Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2fr1 n GLY 1616CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fr1 s SER 1617N -3.61 6.46 0.00 1.61 0.15 -0.32 -4.99 113.70 113.00 2fr1 s SER 1617Ca 0.00 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2fr1 s SER 1617Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2fr1 s SER 1617CO 0.00 0.20 0.00 1.33 1.20 0.00 0.00 173.24 175.97 2fr1 n VAL 1618N 0.74 0.00 -0.16 4.45 0.24 -1.26 -4.70 118.33 117.64 2fr1 n VAL 1618Ca -0.08 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 2fr1 n VAL 1618Cb 0.52 0.27 0.03 0.00 -1.47 0.00 0.00 33.84 33.19 2fr1 n VAL 1618CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fr1 h ALA 1619N 0.00 0.17 -0.62 2.33 0.00 -1.97 -0.90 119.26 118.28 2fr1 h ALA 1619Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2fr1 h ALA 1619Cb 0.03 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2fr1 h ALA 1619CO 0.00 -0.54 0.41 0.93 0.00 0.00 0.00 179.25 180.06 2fr1 h GLU 1620N -0.09 0.81 0.48 0.00 3.07 -1.92 -2.66 114.58 114.27 2fr1 h GLU 1620Ca 0.23 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 2fr1 h GLU 1620Cb 0.45 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2fr1 h GLU 1620CO -0.55 0.54 -0.23 1.25 -1.40 0.00 0.00 179.01 178.62 2fr1 h LEU 1621N 0.84 -0.54 0.00 1.33 5.85 -1.67 -2.04 115.31 119.08 2fr1 h LEU 1621Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2fr1 h LEU 1621Cb -0.09 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2fr1 h LEU 1621CO -0.05 -0.31 0.00 0.00 -0.34 0.00 0.00 178.44 177.74 2fr1 n ALA 1622N -2.43 2.00 -0.04 1.25 0.00 -0.42 -0.52 120.51 120.35 2fr1 n ALA 1622Ca -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 2fr1 n ALA 1622Cb 0.29 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 2fr1 n ALA 1622CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fr1 n ARG 1623N -0.57 2.54 0.00 0.00 0.63 -0.84 -4.73 116.66 113.69 2fr1 n ARG 1623Ca 0.02 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2fr1 n ARG 1623Cb 0.01 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.72 2fr1 n ARG 1623CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2fr1 n HIS 1624N -2.25 0.00 -0.24 -0.14 8.25 -0.83 -4.84 115.22 115.18 2fr1 n HIS 1624Ca -0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2fr1 n HIS 1624Cb 0.71 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.88 2fr1 n HIS 1624CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fr1 h LEU 1625N 0.00 -0.77 0.22 2.41 5.85 -1.00 0.44 115.31 122.45 2fr1 h LEU 1625Ca 0.00 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2fr1 h LEU 1625Cb 0.00 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2fr1 h LEU 1625CO 0.00 -0.25 -0.37 0.00 -0.34 0.00 0.00 178.44 177.48 2fr1 h ALA 1626N 1.57 -0.72 -0.14 1.25 0.00 -1.82 -1.55 119.26 117.86 2fr1 h ALA 1626Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2fr1 h ALA 1626Cb 0.53 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2fr1 h ALA 1626CO -0.73 -0.96 0.09 0.00 0.00 0.00 0.00 179.25 177.66 2fr1 h ALA 1627N -0.17 1.90 -0.07 0.00 0.00 -1.68 -2.53 119.26 116.71 2fr1 h ALA 1627Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2fr1 h ALA 1627Cb 0.66 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2fr1 h ALA 1627CO -0.16 0.09 -0.01 0.28 0.00 0.00 0.00 179.25 179.45 2fr1 h VAL 1628N 0.19 1.29 0.00 0.00 2.07 -0.26 -2.32 116.25 117.21 2fr1 h VAL 1628Ca 0.05 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2fr1 h VAL 1628Cb -0.02 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2fr1 h VAL 1628CO -0.01 0.25 0.00 -0.37 0.02 0.00 0.00 177.57 177.46 2fr1 h VAL 1629N -0.20 0.00 -0.88 2.57 -1.51 -1.09 -3.24 116.25 111.90 2fr1 h VAL 1629Ca 0.02 -0.61 -0.52 0.00 -1.23 0.00 0.00 66.70 64.36 2fr1 h VAL 1629Cb 0.40 1.57 -0.42 0.00 -2.13 0.00 0.00 31.29 30.71 2fr1 h VAL 1629CO 0.01 0.00 -0.85 -1.54 -1.23 0.00 0.00 177.57 173.96 2fr1 n SER 1630N -2.93 4.39 -4.88 4.19 3.41 -0.97 -5.06 113.62 111.77 2fr1 n SER 1630Ca 0.02 -3.52 -0.27 0.00 -0.26 0.00 0.00 58.87 54.85 2fr1 n SER 1630Cb 0.36 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 2fr1 n SER 1630CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2fr1 s GLY 1631N -3.59 1.77 0.00 5.00 0.00 -0.88 -4.36 107.32 105.25 2fr1 s GLY 1631Ca 0.47 -1.09 0.16 0.00 0.00 0.00 0.00 44.72 44.26 2fr1 s GLY 1631CO -0.02 -1.09 1.12 0.61 0.00 0.00 0.00 173.10 173.73 2fr1 n GLY 1632N -0.34 0.98 0.21 0.20 0.00 -1.18 -4.44 105.19 100.62 2fr1 n GLY 1632Ca -0.07 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.52 2fr1 n GLY 1632CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 h ALA 1633N 3.06 1.43 0.00 4.61 0.00 -1.77 -3.46 119.26 123.12 2fr1 h ALA 1633Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2fr1 h ALA 1633Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2fr1 h ALA 1633CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2fr1 n GLY 1634N -0.63 0.73 3.65 0.00 0.00 -1.26 -4.89 105.19 102.78 2fr1 n GLY 1634Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2fr1 n GLY 1634CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fr1 s GLU 1635N -0.43 4.05 0.00 1.61 0.41 -1.26 -4.48 118.70 118.60 2fr1 s GLU 1635Ca 0.00 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.20 2fr1 s GLU 1635Cb 0.00 -3.89 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 2fr1 s GLU 1635CO 0.00 -0.96 0.85 -0.40 -0.49 0.00 0.00 175.26 174.26 2fr1 n ASP 1636N 7.36 1.62 -3.47 -0.19 3.85 -1.26 -4.87 116.55 119.57 2fr1 n ASP 1636Ca 0.16 -1.73 -0.29 0.00 -0.71 0.00 0.00 54.79 52.22 2fr1 n ASP 1636Cb 0.45 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.10 2fr1 n ASP 1636CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2fr1 s GLN 1637N -0.73 0.54 0.13 0.11 -0.21 -1.25 0.06 119.66 118.31 2fr1 s GLN 1637Ca 0.00 -1.28 0.08 0.00 0.02 0.00 0.00 55.36 54.18 2fr1 s GLN 1637Cb 0.00 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.66 2fr1 s GLN 1637CO 0.00 -1.19 -0.19 -0.51 -2.12 0.00 0.00 175.29 171.28 2fr1 s LEU 1638N 1.13 2.38 -0.13 2.90 1.43 -0.56 -1.72 118.68 124.12 2fr1 s LEU 1638Ca 0.17 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2fr1 s LEU 1638Cb -0.23 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.21 2fr1 s LEU 1638CO -0.02 -0.02 -0.15 0.00 0.23 0.00 0.00 176.35 176.39 2fr1 s ALA 1639N -1.71 1.81 -0.24 4.21 0.00 -0.02 -0.74 121.76 125.07 2fr1 s ALA 1639Ca 0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2fr1 s ALA 1639Cb -0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2fr1 s ALA 1639CO 0.05 -0.19 0.24 -0.51 0.00 0.00 0.00 175.76 175.36 2fr1 s LEU 1640N 1.16 4.10 0.23 0.00 1.43 0.60 -0.25 118.68 125.95 2fr1 s LEU 1640Ca -0.02 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2fr1 s LEU 1640Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2fr1 s LEU 1640CO -0.05 -0.01 -0.08 -0.13 0.23 0.00 0.00 176.35 176.31 2fr1 s ARG 1641N 1.33 1.40 0.61 1.70 1.81 -0.07 -3.93 118.95 121.79 2fr1 s ARG 1641Ca 0.11 -1.67 0.30 0.00 -1.72 0.00 0.00 55.73 52.75 2fr1 s ARG 1641Cb -0.14 -1.00 1.64 0.00 -0.45 0.00 0.00 34.95 35.00 2fr1 s ARG 1641CO 0.07 0.07 2.02 0.00 -0.68 0.00 0.00 175.30 176.78 2fr1 h ALA 1642N 2.45 1.78 -0.80 2.13 0.00 -2.00 -1.76 119.26 121.06 2fr1 h ALA 1642Ca -0.39 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 2fr1 h ALA 1642Cb 1.22 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.74 2fr1 h ALA 1642CO 0.65 -0.41 0.21 -0.40 0.00 0.00 0.00 179.25 179.30 2fr1 n ASP 1643N -3.56 5.34 0.00 0.00 3.85 -1.26 -5.06 116.55 115.87 2fr1 n ASP 1643Ca 0.03 -3.76 0.00 0.00 -0.71 0.00 0.00 54.79 50.35 2fr1 n ASP 1643Cb 0.42 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 2fr1 n ASP 1643CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr1 n GLY 1644N -0.94 1.28 3.76 6.12 0.00 -0.66 -5.05 105.19 109.70 2fr1 n GLY 1644Ca 0.52 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 2fr1 n GLY 1644CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fr1 s VAL 1645N -1.27 4.80 0.08 1.61 1.01 -1.26 -0.89 120.40 124.48 2fr1 s VAL 1645Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2fr1 s VAL 1645Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2fr1 s VAL 1645CO 0.00 0.61 -0.20 -0.31 0.00 0.00 0.00 175.10 175.20 2fr1 s TYR 1646N -0.95 1.75 -0.03 5.22 1.51 0.65 -2.03 117.35 123.47 2fr1 s TYR 1646Ca 0.14 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.87 2fr1 s TYR 1646Cb -0.12 -0.99 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2fr1 s TYR 1646CO 0.03 0.15 -0.24 0.20 -1.11 0.00 0.00 175.55 174.58 2fr1 s GLY 1647N -1.62 1.31 0.20 0.71 0.00 0.21 -0.84 107.32 107.29 2fr1 s GLY 1647Ca 0.06 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 2fr1 s GLY 1647CO 0.03 -0.83 1.37 -1.60 0.00 0.00 0.00 173.10 172.06 2fr1 s ARG 1648N -0.49 4.34 -0.01 2.90 3.52 -0.70 -2.00 118.95 126.51 2fr1 s ARG 1648Ca 0.06 2.13 -0.02 0.00 -0.13 0.00 0.00 55.73 57.78 2fr1 s ARG 1648Cb -0.11 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2fr1 s ARG 1648CO 0.00 -0.34 0.05 1.03 -0.81 0.00 0.00 175.30 175.23 2fr1 s ARG 1649N 0.08 0.12 0.05 5.12 1.81 -0.21 -4.34 118.95 121.59 2fr1 s ARG 1649Ca 0.59 -0.05 -0.20 0.00 -1.72 0.00 0.00 55.73 54.35 2fr1 s ARG 1649Cb -0.38 0.05 -0.06 0.00 -0.45 0.00 0.00 34.95 34.11 2fr1 s ARG 1649CO 0.38 -0.02 0.59 -1.58 -0.68 0.00 0.00 175.30 173.98 2fr1 s TRP 1650N -0.26 3.77 0.00 -0.53 0.52 0.68 -1.61 118.94 121.52 2fr1 s TRP 1650Ca -0.03 1.27 -0.05 0.00 0.02 0.00 0.00 56.10 57.31 2fr1 s TRP 1650Cb -0.02 -2.54 -0.00 0.00 -1.15 0.00 0.00 33.47 29.75 2fr1 s TRP 1650CO 0.00 0.51 0.09 0.14 0.02 0.00 0.00 176.95 177.71 2fr1 s VAL 1651N -0.82 0.08 0.41 4.03 -7.23 -0.39 -4.12 120.40 112.36 2fr1 s VAL 1651Ca 0.30 -0.65 -0.25 0.00 -1.81 0.00 0.00 61.98 59.57 2fr1 s VAL 1651Cb -0.19 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.31 2fr1 s VAL 1651CO 0.19 -0.36 1.17 -0.13 -0.31 0.00 0.00 175.10 175.66 2fr1 s ARG 1652N -1.20 4.00 0.38 4.82 0.52 -1.26 -0.49 118.95 125.72 2fr1 s ARG 1652Ca -0.13 1.84 -0.10 0.00 -0.52 0.00 0.00 55.73 56.82 2fr1 s ARG 1652Cb -0.07 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 2fr1 s ARG 1652CO 0.01 -0.37 0.73 0.00 0.02 0.00 0.00 175.30 175.69 2fr1 s ALA 1653N -1.43 3.40 0.27 2.13 0.00 -0.54 -4.76 121.76 120.82 2fr1 s ALA 1653Ca 0.58 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2fr1 s ALA 1653Cb -0.31 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2fr1 s ALA 1653CO 0.38 0.06 0.42 0.00 0.00 0.00 0.00 175.76 176.63 2fr1 s ALA 1654N -2.29 3.84 0.39 0.00 0.00 -1.26 -4.89 121.76 117.54 2fr1 s ALA 1654Ca 0.50 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2fr1 s ALA 1654Cb -0.10 -1.90 -0.11 0.00 0.00 0.00 0.00 23.12 21.02 2fr1 s ALA 1654CO 0.30 0.20 0.94 0.00 0.00 0.00 0.00 175.76 177.20 2fr1 s ALA 1655N -2.06 3.11 -0.51 0.00 0.00 -1.26 -5.01 121.76 116.02 2fr1 s ALA 1655Ca 0.37 0.44 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 2fr1 s ALA 1655Cb -0.10 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2fr1 s ALA 1655CO 0.31 0.15 1.05 -1.25 0.00 0.00 0.00 175.76 176.03 2fr1 s PRO 1656N -2.76 3.56 0.00 0.00 0.04 -1.26 -4.87 135.00 129.71 2fr1 s PRO 1656Ca 0.57 0.24 0.29 0.00 0.04 0.00 0.00 61.00 62.15 2fr1 s PRO 1656Cb -0.13 -3.96 1.35 0.00 0.04 0.00 0.00 34.50 31.80 2fr1 s PRO 1656CO 0.17 -1.42 1.91 0.00 0.04 0.00 0.00 177.00 177.71 2fr1 n ALA 1657N 7.71 2.65 -1.74 8.56 0.00 -1.26 -4.88 120.51 131.55 2fr1 n ALA 1657Ca 0.08 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 2fr1 n ALA 1657Cb 0.49 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 2fr1 n ALA 1657CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2fr1 s THR 1658N -2.07 3.88 -0.64 0.00 -1.32 -1.26 -4.94 115.64 109.29 2fr1 s THR 1658Ca 0.40 1.00 0.25 0.00 -1.21 0.00 0.00 61.69 62.13 2fr1 s THR 1658Cb 0.21 -3.45 0.27 0.00 -1.51 0.00 0.00 72.50 68.02 2fr1 s THR 1658CO 0.37 -0.42 1.75 0.47 -2.21 0.00 0.00 174.62 174.58 2fr1 n ASP 1659N -1.55 0.72 -4.67 8.08 10.43 -1.26 -4.83 116.55 123.47 2fr1 n ASP 1659Ca 0.09 0.61 -0.46 0.00 2.57 0.00 0.00 54.79 57.59 2fr1 n ASP 1659Cb 0.53 -0.79 -0.04 0.00 1.84 0.00 0.00 41.12 42.66 2fr1 n ASP 1659CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2fr1 n ASP 1660N -2.22 3.20 -3.59 -2.24 10.43 -1.26 -4.97 116.55 115.89 2fr1 n ASP 1660Ca 0.04 1.05 -0.20 0.00 2.57 0.00 0.00 54.79 58.25 2fr1 n ASP 1660Cb 0.34 -1.42 -0.15 0.00 1.84 0.00 0.00 41.12 41.73 2fr1 n ASP 1660CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2fr1 s GLU 1661N 1.71 0.08 0.23 -1.24 2.12 -1.26 -4.74 118.70 115.60 2fr1 s GLU 1661Ca 0.82 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.10 2fr1 s GLU 1661Cb -0.68 -1.03 -0.10 0.00 0.26 0.00 0.00 34.13 32.59 2fr1 s GLU 1661CO 0.41 -0.52 1.39 -0.46 -0.54 0.00 0.00 175.26 175.53 2fr1 s TRP 1662N 2.25 3.11 -0.03 5.30 -0.00 -1.26 -5.02 118.94 123.29 2fr1 s TRP 1662Ca 0.04 1.11 0.02 0.00 -0.00 0.00 0.00 56.10 57.27 2fr1 s TRP 1662Cb -0.14 -3.73 0.01 0.00 -0.00 0.00 0.00 33.47 29.60 2fr1 s TRP 1662CO -0.09 -2.34 -0.07 0.21 -0.00 0.00 0.00 176.95 174.66 2fr1 s LYS 1663N -0.31 0.80 0.03 5.86 2.20 -1.26 -5.03 119.74 122.03 2fr1 s LYS 1663Ca 0.58 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 2fr1 s LYS 1663Cb -0.40 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.10 2fr1 s LYS 1663CO 0.41 0.06 1.23 -1.25 -0.36 0.00 0.00 175.35 175.44 2fr1 s PRO 1664N 0.34 4.39 0.31 4.03 0.04 -1.26 -5.04 135.00 137.82 2fr1 s PRO 1664Ca -0.05 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.82 2fr1 s PRO 1664Cb -0.09 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 2fr1 s PRO 1664CO 0.00 -0.34 0.04 0.95 0.04 0.00 0.00 177.00 177.70 2fr1 s THR 1665N 1.44 1.22 0.00 1.26 -4.23 -1.26 -4.51 115.64 109.56 2fr1 s THR 1665Ca 0.59 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2fr1 s THR 1665Cb -0.29 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2fr1 s THR 1665CO 0.27 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2fr1 n GLY 1666N -0.65 2.78 3.58 3.99 0.00 -1.26 -4.33 105.19 109.30 2fr1 n GLY 1666Ca -0.03 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2fr1 n GLY 1666CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fr1 s THR 1667N 0.00 3.98 -0.17 2.61 2.01 -0.64 -2.79 115.64 120.64 2fr1 s THR 1667Ca 0.00 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2fr1 s THR 1667Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2fr1 s THR 1667CO 0.00 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.66 2fr1 s VAL 1668N -0.37 2.72 -0.13 3.82 1.01 -0.80 -1.10 120.40 125.54 2fr1 s VAL 1668Ca 0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2fr1 s VAL 1668Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2fr1 s VAL 1668CO 0.02 0.50 0.40 -0.22 0.00 0.00 0.00 175.10 175.80 2fr1 s LEU 1669N 1.02 4.28 -0.21 3.92 2.96 -0.43 -1.49 118.68 128.72 2fr1 s LEU 1669Ca -0.01 0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2fr1 s LEU 1669Cb -0.15 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.04 2fr1 s LEU 1669CO -0.03 0.06 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 2fr1 s VAL 1670N 0.43 1.29 0.37 1.68 1.01 0.26 -0.47 120.40 124.97 2fr1 s VAL 1670Ca 0.22 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2fr1 s VAL 1670Cb -0.14 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 2fr1 s VAL 1670CO 0.08 -0.05 0.91 0.42 0.00 0.00 0.00 175.10 176.46 2fr1 s THR 1671N 1.52 4.38 -1.37 3.92 -4.23 -0.08 -1.36 115.64 118.42 2fr1 s THR 1671Ca -0.03 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 2fr1 s THR 1671Cb -0.18 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2fr1 s THR 1671CO -0.07 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2fr1 n GLY 1672N -0.14 0.35 0.25 3.99 0.00 0.11 -2.27 105.19 107.48 2fr1 n GLY 1672Ca 0.04 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.89 2fr1 n GLY 1672CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fr1 h GLY 1673N 0.00 0.00 -0.25 -0.02 0.00 -1.42 -1.71 103.07 99.67 2fr1 h GLY 1673Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2fr1 h GLY 1673CO 0.43 0.00 -0.04 -1.30 0.00 0.00 0.00 176.54 175.63 2fr1 n THR 1674N -3.79 0.00 -2.31 4.70 -2.24 -1.26 -2.66 114.28 106.72 2fr1 n THR 1674Ca -0.02 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2fr1 n THR 1674Cb 0.25 0.41 0.10 0.00 -2.10 0.00 0.00 70.33 69.00 2fr1 n THR 1674CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fr1 n GLY 1675N 1.19 0.17 0.18 3.38 0.00 -0.65 -4.86 105.19 104.60 2fr1 n GLY 1675Ca 0.18 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 2fr1 n GLY 1675CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fr1 h GLY 1676N -0.64 -0.39 0.50 -0.02 0.00 -1.91 -1.44 103.07 99.18 2fr1 h GLY 1676Ca -0.26 0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 2fr1 h GLY 1676CO 0.25 -0.14 -0.20 -2.08 0.00 0.00 0.00 176.54 174.37 2fr1 h VAL 1677N -0.47 1.50 -0.43 4.60 2.07 -1.95 -3.00 116.25 118.57 2fr1 h VAL 1677Ca -0.04 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 65.79 2fr1 h VAL 1677Cb 0.35 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 2fr1 h VAL 1677CO 0.06 0.48 0.29 1.23 0.02 0.00 0.00 177.57 179.66 2fr1 h GLY 1678N -0.42 0.39 1.17 2.17 0.00 -1.64 -0.64 103.07 104.10 2fr1 h GLY 1678Ca -0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 2fr1 h GLY 1678CO 0.04 0.09 -0.28 -1.33 0.00 0.00 0.00 176.54 175.06 2fr1 h GLY 1679N 0.31 1.01 1.54 4.60 0.00 -1.02 -0.88 103.07 108.63 2fr1 h GLY 1679Ca 0.19 -0.94 -0.15 0.00 0.00 0.00 0.00 47.33 46.43 2fr1 h GLY 1679CO -0.04 0.85 -0.55 1.46 0.00 0.00 0.00 176.54 178.26 2fr1 h GLN 1680N 0.79 0.48 -0.51 4.80 1.08 -1.15 -1.77 115.11 118.83 2fr1 h GLN 1680Ca 0.09 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.95 2fr1 h GLN 1680Cb 0.85 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2fr1 h GLN 1680CO 0.08 0.90 0.18 0.82 -0.95 0.00 0.00 178.83 179.86 2fr1 h ILE 1681N 0.37 1.22 -0.51 2.54 1.08 -0.98 -1.00 117.51 120.23 2fr1 h ILE 1681Ca 0.01 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 2fr1 h ILE 1681Cb 1.08 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 2fr1 h ILE 1681CO 0.10 0.27 0.33 0.00 -0.69 0.00 0.00 178.15 178.16 2fr1 h ALA 1682N 1.03 0.65 -0.86 1.87 0.00 -0.95 -0.23 119.26 120.77 2fr1 h ALA 1682Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2fr1 h ALA 1682Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2fr1 h ALA 1682CO -0.01 0.07 0.49 0.00 0.00 0.00 0.00 179.25 179.80 2fr1 h ARG 1683N 0.67 1.19 -0.20 0.00 3.08 -1.00 -1.05 114.38 117.06 2fr1 h ARG 1683Ca 0.19 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2fr1 h ARG 1683Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2fr1 h ARG 1683CO -0.06 0.86 0.09 2.35 -1.07 0.00 0.00 179.97 182.14 2fr1 h TRP 1684N 1.19 0.29 -0.63 3.04 7.01 -0.63 -1.37 115.95 124.85 2fr1 h TRP 1684Ca 0.30 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.32 2fr1 h TRP 1684Cb 0.00 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 2fr1 h TRP 1684CO 0.00 0.32 0.38 -0.07 -2.79 0.00 0.00 178.44 176.28 2fr1 h LEU 1685N 0.18 0.61 -0.49 0.65 3.38 -0.71 0.45 115.31 119.39 2fr1 h LEU 1685Ca 0.07 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2fr1 h LEU 1685Cb 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fr1 h LEU 1685CO -0.01 0.42 0.32 0.00 0.09 0.00 0.00 178.44 179.27 2fr1 h ALA 1686N 1.29 0.62 -0.14 1.53 0.00 -0.97 -0.98 119.26 120.60 2fr1 h ALA 1686Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2fr1 h ALA 1686Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2fr1 h ALA 1686CO -0.12 0.06 -0.18 0.00 0.00 0.00 0.00 179.25 179.01 2fr1 h ARG 1687N 0.66 0.23 0.00 0.00 3.08 -0.71 -1.87 114.38 115.77 2fr1 h ARG 1687Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2fr1 h ARG 1687Cb -0.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2fr1 h ARG 1687CO -0.04 0.41 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 2fr1 h ARG 1688N 0.21 0.00 0.00 0.04 2.47 -0.06 -3.46 114.38 113.59 2fr1 h ARG 1688Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2fr1 h ARG 1688Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2fr1 h ARG 1688CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 2fr1 n GLY 1689N 0.05 1.66 3.70 0.04 0.00 -0.70 -4.92 105.19 105.02 2fr1 n GLY 1689Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2fr1 n GLY 1689CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 s ALA 1690N -2.00 3.71 0.05 4.61 0.00 -0.46 -4.93 121.76 122.75 2fr1 s ALA 1690Ca 0.00 1.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.89 2fr1 s ALA 1690Cb 0.00 -3.65 -0.18 0.00 0.00 0.00 0.00 23.12 19.29 2fr1 s ALA 1690CO 0.00 -0.92 1.49 -1.35 0.00 0.00 0.00 175.76 174.98 2fr1 h PRO 1691N 7.56 -0.89 -4.16 0.00 0.11 -1.79 -3.41 132.00 129.42 2fr1 h PRO 1691Ca -0.42 0.06 -0.39 0.00 0.11 0.00 0.00 66.00 65.36 2fr1 h PRO 1691Cb 1.20 0.20 -0.32 0.00 0.11 0.00 0.00 31.00 32.19 2fr1 h PRO 1691CO 0.92 -0.57 -0.77 -1.01 -0.21 0.00 0.00 178.00 176.36 2fr1 s HIS 1692N -5.67 0.69 -0.12 0.65 3.76 -1.12 -2.32 115.29 111.15 2fr1 s HIS 1692Ca -0.17 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2fr1 s HIS 1692Cb 0.03 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 33.13 2fr1 s HIS 1692CO 0.58 -0.13 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.71 2fr1 s LEU 1693N 0.57 2.81 -0.29 0.89 1.43 0.11 -1.91 118.68 122.30 2fr1 s LEU 1693Ca -0.07 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2fr1 s LEU 1693Cb -0.11 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2fr1 s LEU 1693CO 0.00 0.19 -0.04 -0.22 0.23 0.00 0.00 176.35 176.52 2fr1 s LEU 1694N 0.20 3.77 -0.22 1.79 0.20 -0.56 -0.51 118.68 123.36 2fr1 s LEU 1694Ca -0.07 -1.35 -0.08 0.00 0.69 0.00 0.00 54.13 53.32 2fr1 s LEU 1694Cb -0.15 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 2fr1 s LEU 1694CO 0.05 -0.24 0.09 -0.76 -0.29 0.00 0.00 176.35 175.20 2fr1 s LEU 1695N 1.19 3.81 0.07 -0.68 1.43 0.05 -0.57 118.68 123.97 2fr1 s LEU 1695Ca -0.06 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2fr1 s LEU 1695Cb -0.20 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2fr1 s LEU 1695CO -0.03 0.09 -0.22 -0.69 0.23 0.00 0.00 176.35 175.73 2fr1 s VAL 1696N 0.89 1.79 0.10 -1.59 1.01 -0.46 -1.44 120.40 120.70 2fr1 s VAL 1696Ca 0.05 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 2fr1 s VAL 1696Cb -0.13 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.75 2fr1 s VAL 1696CO 0.03 0.15 0.98 -0.94 0.00 0.00 0.00 175.10 175.32 2fr1 s SER 1697N -1.44 -0.20 0.25 3.32 1.04 -1.16 0.07 113.70 115.57 2fr1 s SER 1697Ca 0.08 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 2fr1 s SER 1697Cb -0.09 0.43 0.30 0.00 0.10 0.00 0.00 66.02 66.76 2fr1 s SER 1697CO 0.03 -0.78 1.77 0.03 0.98 0.00 0.00 173.24 175.27 2fr1 h ARG 1698N 2.00 0.91 -0.02 4.02 3.08 -1.88 0.34 114.38 122.83 2fr1 h ARG 1698Ca -0.24 -0.21 -0.21 0.00 0.07 0.00 0.00 59.98 59.38 2fr1 h ARG 1698Cb 1.23 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2fr1 h ARG 1698CO 0.27 0.84 -0.88 0.77 -1.07 0.00 0.00 179.97 179.90 2fr1 h SER 1699N 0.86 0.47 0.00 7.04 0.02 -1.92 -3.40 113.55 116.63 2fr1 h SER 1699Ca 0.18 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2fr1 h SER 1699Cb 0.37 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2fr1 h SER 1699CO 0.01 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 2fr1 n GLY 1700N 0.84 3.25 0.31 -3.77 0.00 -1.10 -1.37 105.19 103.34 2fr1 n GLY 1700Ca -0.06 -0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.09 2fr1 n GLY 1700CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fr1 h PRO 1701N 0.00 0.00 -0.00 1.61 0.11 -1.83 -0.72 132.00 131.17 2fr1 h PRO 1701Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2fr1 h PRO 1701Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2fr1 h PRO 1701CO 0.00 0.00 -0.31 -0.25 -0.21 0.00 0.00 178.00 177.23 2fr1 n ASP 1702N -2.90 0.43 -4.67 -2.05 10.43 -0.47 -4.80 116.55 112.50 2fr1 n ASP 1702Ca -0.03 -0.17 -0.37 0.00 2.57 0.00 0.00 54.79 56.79 2fr1 n ASP 1702Cb 0.09 0.02 0.06 0.00 1.84 0.00 0.00 41.12 43.14 2fr1 n ASP 1702CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fr1 n ALA 1703N -1.35 0.67 -2.52 2.24 0.00 -0.28 -4.93 120.51 114.34 2fr1 n ALA 1703Ca 0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 2fr1 n ALA 1703Cb 0.33 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 2fr1 n ALA 1703CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fr1 s ASP 1704N -1.35 7.12 0.00 0.00 2.15 -1.26 -2.87 116.67 120.47 2fr1 s ASP 1704Ca 0.80 1.78 0.00 0.00 0.43 0.00 0.00 52.55 55.56 2fr1 s ASP 1704Cb -0.39 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.67 2fr1 s ASP 1704CO 0.43 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 2fr1 n GLY 1705N 3.24 1.30 0.32 2.66 0.00 -1.26 -4.90 105.19 106.55 2fr1 n GLY 1705Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 2fr1 n GLY 1705CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 h ALA 1706N 0.00 1.54 0.45 4.61 0.00 -1.87 -1.25 119.26 122.74 2fr1 h ALA 1706Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2fr1 h ALA 1706Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2fr1 h ALA 1706CO 0.00 0.39 -0.40 0.78 0.00 0.00 0.00 179.25 180.02 2fr1 h GLY 1707N 0.77 -0.98 2.00 0.00 0.00 -1.87 -1.93 103.07 101.06 2fr1 h GLY 1707Ca 0.18 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2fr1 h GLY 1707CO -0.03 -0.33 0.00 -1.84 0.00 0.00 0.00 176.54 174.34 2fr1 n GLU 1708N -5.50 0.03 -0.02 4.80 0.28 -1.15 -3.27 120.64 115.80 2fr1 n GLU 1708Ca -0.11 0.13 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 2fr1 n GLU 1708Cb 0.40 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 31.63 2fr1 n GLU 1708CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2fr1 h LEU 1709N 0.00 0.05 -0.13 -1.84 6.46 -0.48 -0.95 115.31 118.42 2fr1 h LEU 1709Ca 0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 2fr1 h LEU 1709Cb 0.42 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2fr1 h LEU 1709CO 0.00 0.56 0.09 0.58 -0.62 0.00 0.00 178.44 179.04 2fr1 h VAL 1710N -0.46 1.03 -0.71 1.05 2.07 -1.41 -0.28 116.25 117.53 2fr1 h VAL 1710Ca 0.00 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2fr1 h VAL 1710Cb 0.54 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2fr1 h VAL 1710CO 0.01 0.03 0.47 0.00 0.02 0.00 0.00 177.57 178.10 2fr1 h ALA 1711N 1.05 1.75 -0.20 1.67 0.00 -1.56 0.48 119.26 122.44 2fr1 h ALA 1711Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2fr1 h ALA 1711Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2fr1 h ALA 1711CO -0.01 0.13 -0.67 1.49 0.00 0.00 0.00 179.25 180.19 2fr1 h GLU 1712N 0.71 0.76 -0.15 0.00 4.81 -0.56 -1.92 114.58 118.22 2fr1 h GLU 1712Ca 0.31 -0.55 -0.22 0.00 -0.13 0.00 0.00 59.36 58.77 2fr1 h GLU 1712Cb 0.31 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.79 2fr1 h GLU 1712CO -0.10 1.17 -0.76 -0.07 -0.73 0.00 0.00 179.01 178.51 2fr1 h LEU 1713N 0.55 0.93 -1.43 1.64 3.38 0.06 -3.02 115.31 117.42 2fr1 h LEU 1713Ca -0.02 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 2fr1 h LEU 1713Cb 1.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2fr1 h LEU 1713CO 0.14 1.41 -0.24 -0.33 0.09 0.00 0.00 178.44 179.50 2fr1 h GLU 1714N 0.51 0.00 -0.03 1.13 5.08 -0.13 -1.87 114.58 119.27 2fr1 h GLU 1714Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2fr1 h GLU 1714Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2fr1 h GLU 1714CO 0.16 0.24 -0.42 0.00 -1.00 0.00 0.00 179.01 177.99 2fr1 h ALA 1715N 1.76 1.25 0.00 3.43 0.00 -1.23 -1.85 119.26 122.61 2fr1 h ALA 1715Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2fr1 h ALA 1715Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2fr1 h ALA 1715CO 0.03 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.11 2fr1 n LEU 1716N -4.03 0.00 -0.08 0.00 4.77 -0.72 -4.91 117.00 112.03 2fr1 n LEU 1716Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2fr1 n LEU 1716Cb 0.46 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2fr1 n LEU 1716CO 0.40 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2fr1 n GLY 1717N 1.32 1.18 2.82 -0.72 0.00 -0.69 -4.75 105.19 104.34 2fr1 n GLY 1717Ca 0.12 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2fr1 n GLY 1717CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 s ALA 1718N -2.15 0.71 -0.09 4.61 0.00 -1.09 -4.85 121.76 118.91 2fr1 s ALA 1718Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2fr1 s ALA 1718Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 2fr1 s ALA 1718CO 0.00 -0.31 1.59 0.50 0.00 0.00 0.00 175.76 177.54 2fr1 s ARG 1719N 1.60 4.16 -0.02 0.00 3.52 -0.98 -3.54 118.95 123.68 2fr1 s ARG 1719Ca -0.00 2.06 0.04 0.00 -0.13 0.00 0.00 55.73 57.70 2fr1 s ARG 1719Cb -0.13 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2fr1 s ARG 1719CO -0.04 -0.86 -0.14 0.99 -0.81 0.00 0.00 175.30 174.44 2fr1 s THR 1720N 4.04 3.08 -0.06 4.11 2.01 -1.26 0.06 115.64 127.62 2fr1 s THR 1720Ca 0.70 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2fr1 s THR 1720Cb -0.31 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 69.98 2fr1 s THR 1720CO 0.27 0.52 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.75 2fr1 s THR 1721N -0.80 0.78 -0.21 -0.82 2.01 0.34 -4.96 115.64 111.97 2fr1 s THR 1721Ca 0.13 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 2fr1 s THR 1721Cb -0.11 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2fr1 s THR 1721CO 0.02 0.28 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.51 2fr1 s VAL 1722N 0.92 3.49 0.10 3.82 1.01 -1.26 -0.77 120.40 127.71 2fr1 s VAL 1722Ca -0.11 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2fr1 s VAL 1722Cb -0.15 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2fr1 s VAL 1722CO 0.01 0.43 -0.21 0.00 0.00 0.00 0.00 175.10 175.32 2fr1 s ALA 1723N 1.32 1.82 -0.21 5.51 0.00 -0.52 -4.24 121.76 125.43 2fr1 s ALA 1723Ca 0.04 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.54 2fr1 s ALA 1723Cb -0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2fr1 s ALA 1723CO -0.01 0.37 0.69 0.00 0.00 0.00 0.00 175.76 176.81 2fr1 s ALA 1724N -1.12 3.57 -0.24 0.00 0.00 -1.26 -3.01 121.76 119.70 2fr1 s ALA 1724Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2fr1 s ALA 1724Cb -0.10 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.02 2fr1 s ALA 1724CO 0.04 -0.69 0.58 0.00 0.00 0.00 0.00 175.76 175.69 2fr1 s ASP 1726N 1.54 6.27 0.35 0.00 -1.08 -1.26 -3.46 116.67 119.03 2fr1 s ASP 1726Ca -0.10 -0.59 0.24 0.00 -0.52 0.00 0.00 52.55 51.58 2fr1 s ASP 1726Cb -0.06 -2.31 1.26 0.00 -1.46 0.00 0.00 42.92 40.35 2fr1 s ASP 1726CO -0.17 -0.83 1.73 -0.37 0.52 0.00 0.00 175.17 176.05 2fr1 h VAL 1727N 5.87 0.00 0.00 1.11 -1.51 -1.95 -0.71 116.25 119.06 2fr1 h VAL 1727Ca -0.26 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2fr1 h VAL 1727Cb 1.10 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2fr1 h VAL 1727CO 0.92 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.97 2fr1 h THR 1728N 0.00 0.00 -2.99 7.19 1.35 -1.85 -3.34 112.91 113.26 2fr1 h THR 1728Ca 0.00 -0.51 -0.71 0.00 -0.55 0.00 0.00 66.41 64.65 2fr1 h THR 1728Cb 0.05 1.48 -0.20 0.00 -1.73 0.00 0.00 68.15 67.76 2fr1 h THR 1728CO 0.00 0.00 0.05 -0.62 -0.25 0.00 0.00 175.52 174.70 2fr1 s ASP 1729N -4.69 6.19 0.29 5.36 -1.08 -0.28 -4.92 116.67 117.55 2fr1 s ASP 1729Ca 0.10 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 50.78 2fr1 s ASP 1729Cb 0.11 -2.29 0.66 0.00 -1.46 0.00 0.00 42.92 39.94 2fr1 s ASP 1729CO 0.59 -1.04 1.78 -0.09 0.52 0.00 0.00 175.17 176.93 2fr1 h ARG 1730N 9.11 0.72 -0.55 4.34 2.43 -1.84 -1.59 114.38 127.00 2fr1 h ARG 1730Ca -0.29 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 2fr1 h ARG 1730Cb 1.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2fr1 h ARG 1730CO 1.06 0.47 -0.04 0.93 -1.51 0.00 0.00 179.97 180.89 2fr1 h GLU 1731N 0.74 0.98 -0.73 0.20 4.39 -1.94 -0.83 114.58 117.38 2fr1 h GLU 1731Ca 0.54 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 2fr1 h GLU 1731Cb 0.79 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2fr1 h GLU 1731CO -0.37 0.98 0.34 0.77 -1.16 0.00 0.00 179.01 179.57 2fr1 h SER 1732N 0.89 0.96 -0.13 1.42 0.02 -1.62 -1.16 113.55 113.93 2fr1 h SER 1732Ca 0.16 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2fr1 h SER 1732Cb 0.57 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2fr1 h SER 1732CO 0.03 0.83 0.02 0.58 -1.14 0.00 0.00 176.83 177.15 2fr1 h VAL 1733N 1.03 1.23 -0.57 2.27 2.07 -1.18 -0.64 116.25 120.45 2fr1 h VAL 1733Ca 0.25 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2fr1 h VAL 1733Cb 0.13 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2fr1 h VAL 1733CO -0.03 0.22 0.21 -0.09 0.02 0.00 0.00 177.57 177.89 2fr1 h ARG 1734N -0.01 0.37 -0.60 1.57 2.43 -0.89 0.14 114.38 117.40 2fr1 h ARG 1734Ca 0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2fr1 h ARG 1734Cb 0.32 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2fr1 h ARG 1734CO 0.00 0.25 0.09 0.93 -1.51 0.00 0.00 179.97 179.73 2fr1 h GLU 1735N 0.39 0.98 0.40 0.20 5.08 -1.09 -0.29 114.58 120.24 2fr1 h GLU 1735Ca 0.29 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2fr1 h GLU 1735Cb 0.34 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2fr1 h GLU 1735CO -0.29 0.91 -0.19 1.25 -1.00 0.00 0.00 179.01 179.68 2fr1 h LEU 1736N 0.92 -0.45 -0.62 1.33 5.85 0.29 -2.05 115.31 120.58 2fr1 h LEU 1736Ca 0.19 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2fr1 h LEU 1736Cb 0.41 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2fr1 h LEU 1736CO 0.01 -0.32 0.36 -0.07 -0.34 0.00 0.00 178.44 178.07 2fr1 h LEU 1737N -0.54 0.56 -1.70 2.25 3.38 -0.62 -1.49 115.31 117.16 2fr1 h LEU 1737Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2fr1 h LEU 1737Cb 0.41 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2fr1 h LEU 1737CO 0.09 0.38 0.00 1.23 0.09 0.00 0.00 178.44 180.23 2fr1 h GLY 1738N 0.69 0.00 0.07 0.83 0.00 -0.81 -1.78 103.07 102.07 2fr1 h GLY 1738Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2fr1 h GLY 1738CO -0.14 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 176.91 2fr1 n GLY 1739N -0.81 -0.42 3.72 4.60 0.00 -0.56 -4.88 105.19 106.84 2fr1 n GLY 1739Ca -0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2fr1 n GLY 1739CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fr1 s ILE 1740N -2.25 3.44 0.23 -0.61 1.01 -0.67 -4.94 121.20 117.41 2fr1 s ILE 1740Ca 0.32 1.08 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 2fr1 s ILE 1740Cb 0.20 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 2fr1 s ILE 1740CO 0.42 0.11 1.61 0.61 0.00 0.00 0.00 174.94 177.69 2fr1 n GLY 1741N 3.07 1.30 0.33 6.18 0.00 -1.26 -4.86 105.19 109.94 2fr1 n GLY 1741Ca 0.09 0.55 0.22 0.00 0.00 0.00 0.00 46.02 46.88 2fr1 n GLY 1741CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2fr1 h ASP 1742N 5.59 0.00 1.80 1.61 3.32 -1.96 0.10 116.42 126.88 2fr1 h ASP 1742Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2fr1 h ASP 1742Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2fr1 h ASP 1742CO 0.86 0.00 -0.05 -2.24 -1.72 0.00 0.00 179.24 176.09 2fr1 h ASP 1743N 0.00 0.00 -2.16 6.45 2.03 -2.03 -3.37 116.42 117.35 2fr1 h ASP 1743Ca -0.00 -0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 2fr1 h ASP 1743Cb 0.09 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.19 2fr1 h ASP 1743CO 0.00 0.00 -0.95 1.33 -1.03 0.00 0.00 179.24 178.59 2fr1 n VAL 1744N -2.84 -0.02 -1.76 4.15 0.24 0.02 -5.00 118.33 113.13 2fr1 n VAL 1744Ca 0.04 -4.22 -0.39 0.00 -2.04 0.00 0.00 64.34 57.74 2fr1 n VAL 1744Cb 0.50 -1.95 0.04 0.00 -1.47 0.00 0.00 33.84 30.95 2fr1 n VAL 1744CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2fr1 s PRO 1745N -1.27 3.30 0.20 7.34 0.04 -1.19 -3.44 135.00 139.98 2fr1 s PRO 1745Ca 0.35 2.33 -0.32 0.00 0.04 0.00 0.00 61.00 63.40 2fr1 s PRO 1745Cb 0.13 -2.39 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 2fr1 s PRO 1745CO -0.11 -1.09 1.71 -1.17 0.04 0.00 0.00 177.00 176.38 2fr1 s LEU 1746N -3.27 4.37 0.00 -3.56 2.96 -1.26 -1.62 118.68 116.30 2fr1 s LEU 1746Ca 0.68 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 57.43 2fr1 s LEU 1746Cb -0.42 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.67 2fr1 s LEU 1746CO 0.51 -0.96 0.00 -1.54 -1.32 0.00 0.00 176.35 173.04 2fr1 n SER 1747N 4.07 4.79 -3.75 3.68 3.41 -0.26 -4.65 113.62 120.91 2fr1 n SER 1747Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2fr1 n SER 1747Cb 0.36 0.87 -0.08 0.00 -0.26 0.00 0.00 64.21 65.09 2fr1 n SER 1747CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fr1 s ALA 1748N -1.92 -0.84 -0.06 7.33 0.00 -1.24 0.91 121.76 125.93 2fr1 s ALA 1748Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.37 2fr1 s ALA 1748Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2fr1 s ALA 1748CO 0.00 -0.27 -0.13 0.08 0.00 0.00 0.00 175.76 175.44 2fr1 s VAL 1749N -1.31 1.17 -0.26 0.00 1.01 -0.67 -1.31 120.40 119.01 2fr1 s VAL 1749Ca -0.13 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2fr1 s VAL 1749Cb -0.05 -1.05 0.06 0.00 0.00 0.00 0.00 36.38 35.35 2fr1 s VAL 1749CO 0.05 0.36 -0.09 -0.36 0.00 0.00 0.00 175.10 175.05 2fr1 s PHE 1750N 0.47 3.12 -0.77 5.22 0.08 0.38 -0.07 117.98 126.41 2fr1 s PHE 1750Ca -0.11 -2.25 -0.14 0.00 0.12 0.00 0.00 56.93 54.55 2fr1 s PHE 1750Cb -0.14 -1.91 0.20 0.00 -0.57 0.00 0.00 43.02 40.60 2fr1 s PHE 1750CO 0.03 -0.86 0.71 -1.58 -0.10 0.00 0.00 175.22 173.41 2fr1 s HIS 1751N 1.15 3.66 -2.33 0.36 5.65 0.03 -0.90 115.29 122.91 2fr1 s HIS 1751Ca -0.07 -1.88 0.22 0.00 0.25 0.00 0.00 55.06 53.57 2fr1 s HIS 1751Cb -0.20 -3.80 0.08 0.00 -1.18 0.00 0.00 32.58 27.48 2fr1 s HIS 1751CO -0.06 -0.99 1.12 0.00 -0.65 0.00 0.00 174.74 174.16 2fr1 n ALA 1752N 4.20 2.99 -1.93 1.58 0.00 -0.96 -2.21 120.51 124.18 2fr1 n ALA 1752Ca 0.08 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 2fr1 n ALA 1752Cb 0.45 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 2fr1 n ALA 1752CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fr1 s ALA 1753N -2.11 3.78 0.05 0.00 0.00 -1.20 -4.69 121.76 117.58 2fr1 s ALA 1753Ca 0.21 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 2fr1 s ALA 1753Cb 0.18 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.75 2fr1 s ALA 1753CO 0.41 -0.81 1.21 0.00 0.00 0.00 0.00 175.76 176.57 2fr1 s ALA 1754N 1.28 -2.20 0.11 0.00 0.00 -1.26 -3.52 121.76 116.17 2fr1 s ALA 1754Ca 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2fr1 s ALA 1754Cb -0.44 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2fr1 s ALA 1754CO 0.31 -1.12 -0.01 0.95 0.00 0.00 0.00 175.76 175.89 2fr1 s THR 1755N -2.05 0.43 0.10 0.00 -4.23 -1.26 -4.97 115.64 103.66 2fr1 s THR 1755Ca 0.27 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2fr1 s THR 1755Cb -0.01 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2fr1 s THR 1755CO 0.01 -0.72 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.05 2fr1 s LEU 1756N -3.04 2.42 0.00 4.79 2.96 -1.26 -5.01 118.68 119.53 2fr1 s LEU 1756Ca 0.16 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 2fr1 s LEU 1756Cb 0.07 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.46 2fr1 s LEU 1756CO -0.03 -0.27 0.00 -0.90 -1.32 0.00 0.00 176.35 173.83 2fr1 n ASP 1757N 0.48 0.00 0.00 3.68 5.68 -1.26 -5.10 116.55 120.02 2fr1 n ASP 1757Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2fr1 n ASP 1757Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 2fr1 n ASP 1757CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2fr1 n ASP 1758N 0.00 0.00 -4.63 -1.12 3.85 -1.26 -4.96 116.55 108.43 2fr1 n ASP 1758Ca 0.00 -0.49 -0.33 0.00 -0.71 0.00 0.00 54.79 53.25 2fr1 n ASP 1758Cb 0.00 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 39.90 2fr1 n ASP 1758CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr1 n GLY 1759N 0.00 -0.47 3.93 6.12 0.00 -1.25 -4.70 105.19 108.82 2fr1 n GLY 1759Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 2fr1 n GLY 1759CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr1 s THR 1760N -2.25 3.04 0.35 2.61 -4.23 -1.26 -4.37 115.64 109.54 2fr1 s THR 1760Ca 0.69 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 61.04 2fr1 s THR 1760Cb -0.27 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.61 2fr1 s THR 1760CO 0.55 -0.23 1.99 0.58 -0.54 0.00 0.00 174.62 176.97 2fr1 h VAL 1761N -0.28 1.12 0.00 2.29 2.07 -1.94 -0.95 116.25 118.55 2fr1 h VAL 1761Ca -0.45 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2fr1 h VAL 1761Cb 1.28 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2fr1 h VAL 1761CO 0.59 0.15 0.00 -0.90 0.02 0.00 0.00 177.57 177.44 2fr1 n ASP 1762N -4.45 0.00 -0.13 0.57 5.68 -1.26 -2.19 116.55 114.77 2fr1 n ASP 1762Ca 0.08 0.06 0.04 0.00 -0.50 0.00 0.00 54.79 54.47 2fr1 n ASP 1762Cb 0.10 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 2fr1 n ASP 1762CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2fr1 n THR 1763N -1.30 0.00 -3.33 2.12 -2.24 -0.41 -5.01 114.28 104.12 2fr1 n THR 1763Ca 0.08 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 2fr1 n THR 1763Cb 0.15 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 2fr1 n THR 1763CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2fr1 s LEU 1764N -1.83 4.41 0.08 3.22 1.43 -0.93 -4.93 118.68 120.13 2fr1 s LEU 1764Ca 0.06 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2fr1 s LEU 1764Cb 0.07 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2fr1 s LEU 1764CO 0.26 0.17 -0.08 0.42 0.23 0.00 0.00 176.35 177.36 2fr1 s THR 1765N -1.32 0.71 0.24 5.49 -4.23 -1.26 -4.92 115.64 110.35 2fr1 s THR 1765Ca 0.34 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.22 2fr1 s THR 1765Cb -0.17 -1.24 0.21 0.00 1.34 0.00 0.00 72.50 72.64 2fr1 s THR 1765CO 0.19 -0.62 1.84 1.23 -0.54 0.00 0.00 174.62 176.72 2fr1 h GLY 1766N 3.64 1.25 0.99 3.99 0.00 -1.83 -1.22 103.07 109.90 2fr1 h GLY 1766Ca -0.36 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 2fr1 h GLY 1766CO 0.53 0.24 0.31 -2.09 0.00 0.00 0.00 176.54 175.54 2fr1 h GLU 1767N 0.93 0.81 0.04 4.80 4.81 -1.96 -1.03 114.58 122.98 2fr1 h GLU 1767Ca 0.37 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2fr1 h GLU 1767Cb 0.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2fr1 h GLU 1767CO -0.18 0.63 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.58 2fr1 h ARG 1768N 0.78 -0.12 -0.28 1.92 9.65 -1.77 -1.65 114.38 122.93 2fr1 h ARG 1768Ca 0.20 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2fr1 h ARG 1768Cb 0.06 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2fr1 h ARG 1768CO -0.03 -0.08 0.15 0.82 2.80 0.00 0.00 179.97 183.63 2fr1 h ILE 1769N -0.12 1.12 -0.24 1.20 2.04 -1.12 -2.20 117.51 118.19 2fr1 h ILE 1769Ca 0.01 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2fr1 h ILE 1769Cb 0.13 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2fr1 h ILE 1769CO -0.04 0.12 -0.03 -0.08 0.00 0.00 0.00 178.15 178.12 2fr1 h GLU 1770N 0.34 0.04 -0.41 2.37 4.22 -1.03 -2.26 114.58 117.83 2fr1 h GLU 1770Ca 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 2fr1 h GLU 1770Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2fr1 h GLU 1770CO -0.02 0.02 0.24 0.00 -2.18 0.00 0.00 179.01 177.08 2fr1 h ARG 1771N 0.04 0.56 0.00 1.92 2.47 -1.16 -3.12 114.38 115.09 2fr1 h ARG 1771Ca 0.12 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2fr1 h ARG 1771Cb 0.16 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2fr1 h ARG 1771CO -0.22 0.42 0.00 0.00 0.56 0.00 0.00 179.97 180.73 2fr1 h ALA 1772N 1.10 1.00 -0.50 0.04 0.00 -1.24 -3.26 119.26 116.40 2fr1 h ALA 1772Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fr1 h ALA 1772Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fr1 h ALA 1772CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 2fr1 n SER 1773N -2.63 5.21 -0.25 0.00 3.41 -0.87 -4.66 113.62 113.83 2fr1 n SER 1773Ca 0.04 -2.91 -0.03 0.00 -0.26 0.00 0.00 58.87 55.71 2fr1 n SER 1773Cb 0.40 -0.64 0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2fr1 n SER 1773CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2fr1 h ARG 1774N 3.47 0.83 -0.55 4.33 3.08 -1.62 -0.30 114.38 123.62 2fr1 h ARG 1774Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2fr1 h ARG 1774Cb 1.81 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.65 2fr1 h ARG 1774CO 0.41 0.55 0.17 0.00 -1.07 0.00 0.00 179.97 180.02 2fr1 h ALA 1775N 1.31 0.72 -0.03 0.04 0.00 -1.89 0.98 119.26 120.39 2fr1 h ALA 1775Ca 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2fr1 h ALA 1775Cb 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2fr1 h ALA 1775CO -0.12 0.38 -0.04 -0.22 0.00 0.00 0.00 179.25 179.26 2fr1 h LYS 1776N 0.76 0.07 0.14 0.00 3.64 -1.56 -2.44 116.57 117.19 2fr1 h LYS 1776Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2fr1 h LYS 1776Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2fr1 h LYS 1776CO -0.00 0.59 -0.07 0.28 -2.27 0.00 0.00 179.45 177.97 2fr1 h VAL 1777N -0.43 0.59 -0.21 2.00 2.07 -1.06 -2.72 116.25 116.49 2fr1 h VAL 1777Ca 0.00 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 2fr1 h VAL 1777Cb 0.58 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2fr1 h VAL 1777CO 0.01 0.17 -0.34 -0.07 0.02 0.00 0.00 177.57 177.36 2fr1 h LEU 1778N -0.97 0.46 -0.10 2.57 3.38 -0.99 -1.23 115.31 118.43 2fr1 h LEU 1778Ca -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2fr1 h LEU 1778Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2fr1 h LEU 1778CO 0.03 0.78 0.06 1.23 0.09 0.00 0.00 178.44 180.64 2fr1 h GLY 1779N 1.08 0.15 0.94 0.83 0.00 -1.24 0.15 103.07 104.99 2fr1 h GLY 1779Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2fr1 h GLY 1779CO 0.06 0.06 0.11 0.00 0.00 0.00 0.00 176.54 176.77 2fr1 h ALA 1780N 1.01 0.26 -0.25 3.60 0.00 -1.22 -1.15 119.26 121.50 2fr1 h ALA 1780Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2fr1 h ALA 1780Cb 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2fr1 h ALA 1780CO -0.01 -0.21 0.01 -0.09 0.00 0.00 0.00 179.25 178.95 2fr1 h ARG 1781N 0.22 0.09 0.02 0.00 1.12 -1.01 0.16 114.38 114.97 2fr1 h ARG 1781Ca 0.07 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2fr1 h ARG 1781Cb 0.07 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 2fr1 h ARG 1781CO -0.01 0.06 -0.07 -0.91 -3.11 0.00 0.00 179.97 175.92 2fr1 h ASN 1782N 0.09 -0.21 -0.97 -3.80 2.35 -0.81 -0.77 115.58 111.46 2fr1 h ASN 1782Ca 0.12 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2fr1 h ASN 1782Cb 0.15 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 2fr1 h ASN 1782CO -0.20 -0.11 0.63 -0.07 -1.65 0.00 0.00 177.43 176.03 2fr1 h LEU 1783N -0.14 0.99 0.17 1.61 3.38 -0.93 0.65 115.31 121.04 2fr1 h LEU 1783Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2fr1 h LEU 1783Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2fr1 h LEU 1783CO -0.07 0.63 -0.08 -0.74 0.09 0.00 0.00 178.44 178.27 2fr1 h HIS 1784N 1.12 -0.21 -0.68 1.13 2.76 -0.55 -2.22 115.15 116.50 2fr1 h HIS 1784Ca 0.42 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.51 2fr1 h HIS 1784Cb 0.19 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2fr1 h HIS 1784CO -0.00 -0.04 0.13 0.93 -1.30 0.00 0.00 177.93 177.65 2fr1 h GLU 1785N -0.35 1.11 -0.00 5.26 5.08 -0.66 -1.80 114.58 123.23 2fr1 h GLU 1785Ca -0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2fr1 h GLU 1785Cb 0.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2fr1 h GLU 1785CO 0.04 1.00 -0.04 1.28 -1.00 0.00 0.00 179.01 180.29 2fr1 n LEU 1786N -4.22 0.11 0.00 1.33 4.77 0.18 -3.66 117.00 115.51 2fr1 n LEU 1786Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2fr1 n LEU 1786Cb 0.28 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2fr1 n LEU 1786CO 0.43 0.02 0.17 0.35 -1.33 0.00 0.00 177.39 177.03 2fr1 n THR 1787N -1.26 0.00 -0.02 -5.08 -2.24 -0.84 -4.74 114.28 100.10 2fr1 n THR 1787Ca 0.13 -0.40 0.23 0.00 -2.27 0.00 0.00 64.05 61.75 2fr1 n THR 1787Cb 0.27 1.17 0.72 0.00 -2.10 0.00 0.00 70.33 70.39 2fr1 n THR 1787CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2fr1 h ARG 1788N 0.00 0.00 0.00 -0.78 2.43 -1.39 -0.06 114.38 114.57 2fr1 h ARG 1788Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2fr1 h ARG 1788Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2fr1 h ARG 1788CO 0.00 0.00 -1.54 0.39 -1.51 0.00 0.00 179.97 177.31 2fr1 n GLU 1789N -3.93 0.63 -1.52 0.20 -0.58 -1.26 -4.95 120.64 109.23 2fr1 n GLU 1789Ca 0.12 -0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.52 2fr1 n GLU 1789Cb 0.78 -1.67 0.06 0.00 -0.57 0.00 0.00 31.44 30.04 2fr1 n GLU 1789CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2fr1 s LEU 1790N -4.99 3.17 -1.23 -4.62 1.43 -0.04 -4.95 118.68 107.46 2fr1 s LEU 1790Ca -0.04 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.78 2fr1 s LEU 1790Cb 0.11 -4.52 0.20 0.00 0.03 0.00 0.00 46.19 42.02 2fr1 s LEU 1790CO 0.85 -1.70 1.91 -0.67 0.23 0.00 0.00 176.35 176.97 2fr1 n ASP 1791N -3.06 6.23 -4.80 2.29 2.03 -1.26 -5.00 116.55 112.98 2fr1 n ASP 1791Ca 0.09 -3.23 -0.34 0.00 0.52 0.00 0.00 54.79 51.82 2fr1 n ASP 1791Cb 0.53 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.51 2fr1 n ASP 1791CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2fr1 s LEU 1792N -1.51 3.88 -0.02 -2.67 1.02 -1.26 -4.79 118.68 113.34 2fr1 s LEU 1792Ca 0.41 1.91 0.18 0.00 0.02 0.00 0.00 54.13 56.65 2fr1 s LEU 1792Cb 0.11 -4.53 -0.25 0.00 0.02 0.00 0.00 46.19 41.55 2fr1 s LEU 1792CO -0.01 -0.71 0.52 0.35 0.02 0.00 0.00 176.35 176.53 2fr1 n THR 1793N -0.85 0.00 -3.65 5.49 -2.24 0.26 -4.78 114.28 108.51 2fr1 n THR 1793Ca 0.09 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2fr1 n THR 1793Cb 0.52 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 2fr1 n THR 1793CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fr1 s ALA 1794N -3.04 -1.64 -0.32 6.98 0.00 -1.23 -4.94 121.76 117.57 2fr1 s ALA 1794Ca -0.02 1.89 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 2fr1 s ALA 1794Cb 0.12 -1.10 0.11 0.00 0.00 0.00 0.00 23.12 22.25 2fr1 s ALA 1794CO 0.74 -0.32 0.15 0.12 0.00 0.00 0.00 175.76 176.45 2fr1 s PHE 1795N 0.42 0.95 -0.28 0.00 5.36 -1.26 -1.68 117.98 121.50 2fr1 s PHE 1795Ca -0.01 -1.43 -0.08 0.00 -0.96 0.00 0.00 56.93 54.45 2fr1 s PHE 1795Cb -0.05 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.39 2fr1 s PHE 1795CO -0.00 -0.84 0.11 0.08 -1.46 0.00 0.00 175.22 173.11 2fr1 s VAL 1796N 1.57 4.47 -0.11 3.12 1.01 0.90 -1.18 120.40 130.17 2fr1 s VAL 1796Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2fr1 s VAL 1796Cb -0.19 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2fr1 s VAL 1796CO -0.22 0.22 0.21 -0.76 0.00 0.00 0.00 175.10 174.56 2fr1 s LEU 1797N 1.62 4.37 -0.60 3.92 1.43 0.83 -0.79 118.68 129.47 2fr1 s LEU 1797Ca 0.06 0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 53.50 2fr1 s LEU 1797Cb -0.16 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 43.93 2fr1 s LEU 1797CO 0.05 0.33 0.79 -0.36 0.23 0.00 0.00 176.35 177.39 2fr1 s PHE 1798N -0.73 2.89 0.00 0.29 2.99 -0.94 -1.83 117.98 120.66 2fr1 s PHE 1798Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 56.93 56.40 2fr1 s PHE 1798Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 43.02 38.87 2fr1 s PHE 1798CO 0.05 -1.37 0.00 0.45 -0.00 0.00 0.00 175.22 174.36 2fr1 n SER 1799N 6.82 0.00 -3.69 1.36 2.88 0.89 -4.95 113.62 116.93 2fr1 n SER 1799Ca -0.06 -0.38 -0.11 0.00 -1.33 0.00 0.00 58.87 56.99 2fr1 n SER 1799Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 2fr1 n SER 1799CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2fr1 s SER 1800N -1.00 -0.17 0.62 -3.46 0.15 -1.26 -2.57 113.70 106.01 2fr1 s SER 1800Ca 0.00 -0.31 0.41 0.00 0.70 0.00 0.00 55.95 56.75 2fr1 s SER 1800Cb 0.00 0.43 2.13 0.00 -1.71 0.00 0.00 66.02 66.87 2fr1 s SER 1800CO 0.00 -0.78 2.25 2.19 1.20 0.00 0.00 173.24 178.10 2fr1 h PHE 1801N 2.61 0.00 -0.18 3.44 -5.15 -1.42 -0.54 116.94 115.71 2fr1 h PHE 1801Ca -0.33 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.49 2fr1 h PHE 1801Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 2fr1 h PHE 1801CO 0.37 0.00 0.15 0.00 -2.00 0.00 0.00 178.31 176.83 2fr1 h ALA 1802N 2.00 2.03 0.00 12.09 0.00 -1.93 -1.31 119.26 132.15 2fr1 h ALA 1802Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2fr1 h ALA 1802Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2fr1 h ALA 1802CO 0.00 -0.24 -2.10 -1.13 0.00 0.00 0.00 179.25 175.77 2fr1 n SER 1803N -4.24 0.40 -0.14 0.00 3.41 -0.25 -2.68 113.62 110.11 2fr1 n SER 1803Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.53 2fr1 n SER 1803Cb 0.28 1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 65.66 2fr1 n SER 1803CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fr1 h ALA 1804N 1.37 0.55 0.00 7.33 0.00 -0.83 -3.40 119.26 124.28 2fr1 h ALA 1804Ca -0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2fr1 h ALA 1804Cb 1.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2fr1 h ALA 1804CO 0.01 0.26 -0.03 1.97 0.00 0.00 0.00 179.25 181.46 2fr1 n PHE 1805N -4.52 0.00 -0.72 0.00 1.16 -0.58 -5.09 117.46 107.72 2fr1 n PHE 1805Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.62 2fr1 n PHE 1805Cb 0.23 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.07 2fr1 n PHE 1805CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2fr1 n GLY 1806N 0.07 -3.19 3.29 4.97 0.00 -0.80 -4.75 105.19 104.77 2fr1 n GLY 1806Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2fr1 n GLY 1806CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fr1 s ALA 1807N -4.13 -0.87 0.34 4.61 0.00 -1.26 -4.89 121.76 115.55 2fr1 s ALA 1807Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 2fr1 s ALA 1807Cb 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 23.12 23.26 2fr1 s ALA 1807CO 0.00 -0.39 1.34 -0.35 0.00 0.00 0.00 175.76 176.36 2fr1 n PRO 1808N 0.72 2.23 0.00 0.00 -0.04 -1.26 -1.86 135.00 134.78 2fr1 n PRO 1808Ca -0.19 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2fr1 n PRO 1808Cb 0.59 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2fr1 n PRO 1808CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fr1 n GLY 1809N 0.87 3.27 1.17 0.55 0.00 -1.26 -4.84 105.19 104.96 2fr1 n GLY 1809Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2fr1 n GLY 1809CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fr1 n LEU 1810N 0.00 3.39 -0.26 0.99 4.77 -0.78 -3.76 117.00 121.35 2fr1 n LEU 1810Ca 0.00 -1.70 0.24 0.00 -0.03 0.00 0.00 56.01 54.52 2fr1 n LEU 1810Cb 0.00 -0.42 0.58 0.00 -2.33 0.00 0.00 43.42 41.24 2fr1 n LEU 1810CO 0.00 0.83 1.24 1.23 -1.33 0.00 0.00 177.39 179.36 2fr1 h GLY 1811N 4.62 0.72 1.44 -0.72 0.00 -1.76 0.24 103.07 107.62 2fr1 h GLY 1811Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2fr1 h GLY 1811CO 0.01 -0.04 -0.40 0.61 0.00 0.00 0.00 176.54 176.71 2fr1 n GLY 1812N -1.57 -1.50 0.10 4.60 0.00 -1.26 -3.95 105.19 101.61 2fr1 n GLY 1812Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2fr1 n GLY 1812CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2fr1 n TYR 1813N -2.11 0.61 -0.25 1.61 9.36 0.64 -4.44 117.16 122.58 2fr1 n TYR 1813Ca 0.04 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.46 2fr1 n TYR 1813Cb 0.43 -1.10 0.12 0.00 -0.63 0.00 0.00 39.34 38.16 2fr1 n TYR 1813CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2fr1 h ALA 1814N 0.82 0.98 -0.35 2.98 0.00 -1.12 -3.23 119.26 119.34 2fr1 h ALA 1814Ca -0.42 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2fr1 h ALA 1814Cb 2.09 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 2fr1 h ALA 1814CO 0.05 0.02 -0.21 -1.35 0.00 0.00 0.00 179.25 177.76 2fr1 h PRO 1815N 0.67 -0.15 -0.75 0.00 0.11 -1.78 -1.23 132.00 128.87 2fr1 h PRO 1815Ca 0.34 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 2fr1 h PRO 1815Cb 0.28 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 2fr1 h PRO 1815CO -0.23 -0.10 0.34 0.78 -0.21 0.00 0.00 178.00 178.59 2fr1 h GLY 1816N -0.16 1.15 1.50 -0.55 0.00 -1.83 -2.30 103.07 100.89 2fr1 h GLY 1816Ca 0.18 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2fr1 h GLY 1816CO -0.45 0.54 -0.29 3.43 0.00 0.00 0.00 176.54 179.77 2fr1 h ASN 1817N 1.07 0.58 -0.67 0.19 2.35 -1.47 -2.80 115.58 114.82 2fr1 h ASN 1817Ca 0.26 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2fr1 h ASN 1817Cb 0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2fr1 h ASN 1817CO -0.03 0.85 0.15 0.00 -1.65 0.00 0.00 177.43 176.75 2fr1 h ALA 1818N 1.19 0.89 -0.69 -0.83 0.00 -0.81 -2.42 119.26 116.59 2fr1 h ALA 1818Ca 0.06 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2fr1 h ALA 1818Cb 0.76 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2fr1 h ALA 1818CO 0.06 0.62 0.38 -0.92 0.00 0.00 0.00 179.25 179.40 2fr1 h TYR 1819N 1.02 0.70 -0.44 0.00 5.03 -1.28 -2.07 116.97 119.93 2fr1 h TYR 1819Ca 0.21 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.58 2fr1 h TYR 1819Cb 0.39 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 2fr1 h TYR 1819CO 0.03 0.32 0.22 -0.07 -1.32 0.00 0.00 178.16 177.34 2fr1 h LEU 1820N 0.69 0.32 -0.32 2.82 3.38 -1.19 0.13 115.31 121.15 2fr1 h LEU 1820Ca 0.32 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.38 2fr1 h LEU 1820Cb 0.23 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2fr1 h LEU 1820CO -0.20 0.23 -0.09 0.44 0.09 0.00 0.00 178.44 178.91 2fr1 h ASP 1821N 0.44 -0.33 -0.30 -0.43 3.32 -1.01 -1.04 116.42 117.07 2fr1 h ASP 1821Ca 0.19 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2fr1 h ASP 1821Cb 0.10 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2fr1 h ASP 1821CO -0.13 -0.12 0.15 1.23 -1.72 0.00 0.00 179.24 178.65 2fr1 h GLY 1822N -0.02 0.46 0.63 2.75 0.00 -0.80 -2.67 103.07 103.42 2fr1 h GLY 1822Ca 0.16 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.32 2fr1 h GLY 1822CO -0.34 0.21 0.30 -2.00 0.00 0.00 0.00 176.54 174.71 2fr1 h LEU 1823N 0.35 0.41 -0.51 3.11 5.85 -0.57 -0.62 115.31 123.33 2fr1 h LEU 1823Ca 0.10 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2fr1 h LEU 1823Cb 0.10 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2fr1 h LEU 1823CO -0.01 0.27 0.29 0.00 -0.34 0.00 0.00 178.44 178.64 2fr1 h ALA 1824N 1.34 0.65 -0.50 1.25 0.00 -1.06 -0.51 119.26 120.43 2fr1 h ALA 1824Ca 0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2fr1 h ALA 1824Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fr1 h ALA 1824CO -0.20 -0.02 0.11 1.96 0.00 0.00 0.00 179.25 181.10 2fr1 h GLN 1825N 0.58 0.76 -0.67 0.00 4.20 -1.06 -1.70 115.11 117.22 2fr1 h GLN 1825Ca 0.21 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2fr1 h GLN 1825Cb 0.05 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2fr1 h GLN 1825CO -0.11 0.69 0.13 1.96 -0.67 0.00 0.00 178.83 180.83 2fr1 h GLN 1826N 0.73 1.09 -0.20 1.46 4.20 -0.39 -1.38 115.11 120.62 2fr1 h GLN 1826Ca 0.16 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2fr1 h GLN 1826Cb 0.28 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2fr1 h GLN 1826CO -0.00 0.99 0.09 0.00 -0.67 0.00 0.00 178.83 179.24 2fr1 h ARG 1827N 1.03 0.29 -0.94 1.46 3.08 -0.70 -2.63 114.38 115.98 2fr1 h ARG 1827Ca 0.21 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2fr1 h ARG 1827Cb 0.41 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2fr1 h ARG 1827CO 0.01 0.32 0.61 0.00 -1.07 0.00 0.00 179.97 179.84 2fr1 h ARG 1828N 0.18 1.13 0.00 0.04 2.47 -1.09 -0.03 114.38 117.08 2fr1 h ARG 1828Ca 0.07 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2fr1 h ARG 1828Cb 0.14 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2fr1 h ARG 1828CO -0.01 0.75 -0.00 0.77 0.56 0.00 0.00 179.97 182.04 2fr1 h SER 1829N 1.16 0.00 -0.66 7.04 0.02 -0.96 0.24 113.55 120.40 2fr1 h SER 1829Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2fr1 h SER 1829Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2fr1 h SER 1829CO -0.13 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.03 2fr1 n ASP 1830N -3.61 4.39 -0.81 3.07 10.43 -0.17 -4.93 116.55 124.92 2fr1 n ASP 1830Ca -0.03 -2.29 -0.08 0.00 2.57 0.00 0.00 54.79 54.96 2fr1 n ASP 1830Cb 0.08 -0.54 -0.01 0.00 1.84 0.00 0.00 41.12 42.48 2fr1 n ASP 1830CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2fr1 n GLY 1831N 1.30 0.32 3.58 0.44 0.00 0.07 -5.04 105.19 105.86 2fr1 n GLY 1831Ca 0.25 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2fr1 n GLY 1831CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fr1 s LEU 1832N -2.12 3.07 0.47 0.99 1.43 -0.37 -5.00 118.68 117.15 2fr1 s LEU 1832Ca 0.00 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 2fr1 s LEU 1832Cb 0.00 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 2fr1 s LEU 1832CO 0.00 0.21 1.13 -2.16 0.23 0.00 0.00 176.35 175.76 2fr1 s PRO 1833N -1.97 3.75 -0.23 1.29 0.04 -1.26 -3.25 135.00 133.38 2fr1 s PRO 1833Ca 0.20 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2fr1 s PRO 1833Cb -0.11 -2.33 0.16 0.00 0.04 0.00 0.00 34.50 32.26 2fr1 s PRO 1833CO 0.12 -0.53 1.17 0.00 0.04 0.00 0.00 177.00 177.80 2fr1 s ALA 1834N -1.64 -2.03 -0.18 8.56 0.00 -1.26 -4.32 121.76 120.89 2fr1 s ALA 1834Ca 0.65 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 54.28 2fr1 s ALA 1834Cb -0.26 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.78 2fr1 s ALA 1834CO 0.31 -0.26 0.37 0.99 0.00 0.00 0.00 175.76 177.17 2fr1 s THR 1835N -0.87 -0.54 -0.48 0.00 2.01 -0.33 -4.60 115.64 110.84 2fr1 s THR 1835Ca 0.03 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 2fr1 s THR 1835Cb -0.01 -0.59 0.12 0.00 0.01 0.00 0.00 72.50 72.03 2fr1 s THR 1835CO -0.04 0.08 0.32 0.00 -0.69 0.00 0.00 174.62 174.30 2fr1 s ALA 1836N 2.47 3.36 -0.34 7.40 0.00 0.11 -0.12 121.76 134.64 2fr1 s ALA 1836Ca -0.01 -2.62 -0.22 0.00 0.00 0.00 0.00 51.96 49.11 2fr1 s ALA 1836Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2fr1 s ALA 1836CO -0.11 -1.90 0.72 0.08 0.00 0.00 0.00 175.76 174.54 2fr1 s VAL 1837N 1.16 4.82 -0.61 0.00 1.01 -0.76 -3.53 120.40 122.49 2fr1 s VAL 1837Ca 0.08 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 62.65 2fr1 s VAL 1837Cb -0.24 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.05 2fr1 s VAL 1837CO -0.02 -0.32 1.06 0.00 0.00 0.00 0.00 175.10 175.82 2fr1 s ALA 1838N 2.89 3.05 0.30 5.51 0.00 -0.25 -0.08 121.76 133.17 2fr1 s ALA 1838Ca 0.29 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 2fr1 s ALA 1838Cb -0.14 -3.91 -0.09 0.00 0.00 0.00 0.00 23.12 18.98 2fr1 s ALA 1838CO 0.15 -2.66 0.81 -1.58 0.00 0.00 0.00 175.76 172.48 2fr1 s TRP 1839N 4.49 3.55 0.00 0.00 0.52 -1.06 -1.55 118.94 124.89 2fr1 s TRP 1839Ca 0.33 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.92 2fr1 s TRP 1839Cb -0.11 -2.71 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 2fr1 s TRP 1839CO 0.18 0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.75 2fr1 n GLY 1840N 0.24 1.28 3.76 0.98 0.00 -0.35 -1.26 105.19 109.84 2fr1 n GLY 1840Ca 0.01 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2fr1 n GLY 1840CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr1 s THR 1841N 1.61 4.19 -0.15 2.61 -4.23 -1.26 -4.89 115.64 113.52 2fr1 s THR 1841Ca 0.00 1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 62.36 2fr1 s THR 1841Cb 0.00 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2fr1 s THR 1841CO 0.00 0.42 0.08 0.26 -0.54 0.00 0.00 174.62 174.84 2fr1 s TRP 1842N -1.27 3.34 -1.02 3.99 0.52 -1.26 -0.70 118.94 122.54 2fr1 s TRP 1842Ca 0.42 0.25 -0.23 0.00 0.02 0.00 0.00 56.10 56.56 2fr1 s TRP 1842Cb -0.23 -1.99 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 2fr1 s TRP 1842CO 0.29 0.39 1.58 0.00 0.02 0.00 0.00 176.95 179.23 2fr1 s ALA 1843N -0.26 2.52 -0.41 0.98 0.00 0.67 -4.73 121.76 120.52 2fr1 s ALA 1843Ca 0.09 -2.15 -0.05 0.00 0.00 0.00 0.00 51.96 49.84 2fr1 s ALA 1843Cb -0.12 -4.55 0.05 0.00 0.00 0.00 0.00 23.12 18.51 2fr1 s ALA 1843CO 0.01 -3.87 0.13 1.19 0.00 0.00 0.00 175.76 173.22 2fr1 n PHE 1856N 9.99 -1.31 0.00 0.00 3.01 -1.26 -4.59 117.46 123.31 2fr1 n PHE 1856Ca 0.36 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.97 2fr1 n PHE 1856Cb 0.50 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 2fr1 n PHE 1856CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2fr1 n ARG 1857N -2.24 0.00 0.00 -1.08 1.74 -1.26 -1.70 116.66 112.12 2fr1 n ARG 1857Ca 0.03 0.59 0.08 0.00 -0.77 0.00 0.00 57.85 57.77 2fr1 n ARG 1857Cb 0.36 -1.29 0.41 0.00 -1.02 0.00 0.00 32.46 30.92 2fr1 n ARG 1857CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fr1 n ARG 1858N -1.84 0.25 0.00 5.56 1.74 -1.26 -2.48 116.66 118.63 2fr1 n ARG 1858Ca 0.00 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 2fr1 n ARG 1858Cb 0.00 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.25 2fr1 n ARG 1858CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2fr1 n HIS 1859N -1.27 0.00 0.00 -1.55 -0.00 -0.69 -4.83 115.22 106.89 2fr1 n HIS 1859Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2fr1 n HIS 1859Cb 0.12 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 2fr1 n HIS 1859CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2fr1 n GLY 1860N -0.08 1.14 3.67 1.57 0.00 -1.03 -4.10 105.19 106.35 2fr1 n GLY 1860Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2fr1 n GLY 1860CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fr1 s VAL 1861N -1.30 5.01 -0.22 1.61 -7.23 -1.19 -0.61 120.40 116.48 2fr1 s VAL 1861Ca 0.00 1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 61.32 2fr1 s VAL 1861Cb 0.00 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 2fr1 s VAL 1861CO 0.00 0.12 0.09 -0.63 -0.31 0.00 0.00 175.10 174.37 2fr1 s ILE 1862N 1.81 4.81 0.23 -0.62 -1.09 0.20 -4.08 121.20 122.46 2fr1 s ILE 1862Ca 0.30 -0.02 -0.32 0.00 -2.23 0.00 0.00 60.65 58.39 2fr1 s ILE 1862Cb -0.16 -3.21 -0.13 0.00 -1.58 0.00 0.00 42.46 37.38 2fr1 s ILE 1862CO 0.11 0.39 1.52 -1.84 -1.23 0.00 0.00 174.94 173.89 2fr1 n GLU 1863N 4.14 2.27 -3.70 2.79 0.28 -1.26 -4.20 120.64 120.96 2fr1 n GLU 1863Ca -0.16 0.81 -0.32 0.00 -0.16 0.00 0.00 57.16 57.33 2fr1 n GLU 1863Cb 0.52 -2.54 -0.05 0.00 1.43 0.00 0.00 31.44 30.80 2fr1 n GLU 1863CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2fr1 s MET 1864N -0.00 3.61 0.31 3.44 -1.94 0.12 -4.58 119.30 120.26 2fr1 s MET 1864Ca 0.70 -0.09 -0.29 0.00 -1.71 0.00 0.00 55.69 54.31 2fr1 s MET 1864Cb -0.61 -2.93 -0.10 0.00 2.01 0.00 0.00 34.83 33.20 2fr1 s MET 1864CO 0.45 0.53 1.25 -2.14 -0.01 0.00 0.00 175.02 175.10 2fr1 s PRO 1865N -2.37 4.43 0.24 2.03 0.02 -1.26 -0.24 135.00 137.85 2fr1 s PRO 1865Ca 0.37 2.10 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 2fr1 s PRO 1865Cb -0.13 -3.11 0.38 0.00 0.02 0.00 0.00 34.50 31.67 2fr1 s PRO 1865CO 0.22 -0.08 1.63 -1.35 -0.33 0.00 0.00 177.00 177.10 2fr1 h PRO 1866N 3.54 0.08 -0.67 5.54 0.11 -1.97 -1.44 132.00 137.19 2fr1 h PRO 1866Ca -0.48 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2fr1 h PRO 1866Cb 1.22 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2fr1 h PRO 1866CO 0.66 0.05 0.40 0.93 -0.21 0.00 0.00 178.00 179.83 2fr1 h GLU 1867N 0.08 0.74 -0.30 1.05 3.07 -1.95 -2.02 114.58 115.25 2fr1 h GLU 1867Ca 0.38 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.12 2fr1 h GLU 1867Cb 0.65 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2fr1 h GLU 1867CO -0.66 0.49 -0.13 1.15 -1.40 0.00 0.00 179.01 178.46 2fr1 h THR 1868N 0.76 1.29 -0.65 1.13 2.02 -1.69 -2.85 112.91 112.93 2fr1 h THR 1868Ca 0.28 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.27 2fr1 h THR 1868Cb 0.09 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 2fr1 h THR 1868CO -0.14 0.39 0.41 0.00 0.37 0.00 0.00 175.52 176.55 2fr1 h ALA 1869N 0.77 0.84 0.00 6.16 0.00 -1.05 -1.93 119.26 124.04 2fr1 h ALA 1869Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2fr1 h ALA 1869Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2fr1 h ALA 1869CO 0.04 0.17 -0.23 0.00 0.00 0.00 0.00 179.25 179.23 2fr1 h ARG 1871N 0.00 0.00 -0.25 0.00 3.08 -1.16 -1.08 114.38 114.98 2fr1 h ARG 1871Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2fr1 h ARG 1871Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2fr1 h ARG 1871CO 0.03 0.63 -0.56 0.00 -1.07 0.00 0.00 179.97 179.00 2fr1 h ALA 1872N 1.37 0.55 -0.45 0.04 0.00 -0.81 -1.82 119.26 118.13 2fr1 h ALA 1872Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2fr1 h ALA 1872Cb 1.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2fr1 h ALA 1872CO 0.08 0.69 0.11 1.25 0.00 0.00 0.00 179.25 181.38 2fr1 h LEU 1873N 0.58 0.68 -0.46 0.00 5.85 -1.25 -1.50 115.31 119.20 2fr1 h LEU 1873Ca 0.01 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2fr1 h LEU 1873Cb 1.14 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2fr1 h LEU 1873CO 0.12 0.74 0.04 -0.61 -0.34 0.00 0.00 178.44 178.39 2fr1 h GLN 1874N 0.60 0.16 0.00 1.25 5.75 -1.04 0.11 115.11 121.93 2fr1 h GLN 1874Ca 0.14 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2fr1 h GLN 1874Cb 0.32 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 2fr1 h GLN 1874CO 0.00 0.10 -0.11 -0.91 -2.65 0.00 0.00 178.83 175.27 2fr1 h ASN 1875N 0.16 0.00 0.13 -0.69 -0.26 -0.97 -1.49 115.58 112.46 2fr1 h ASN 1875Ca 0.23 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.76 2fr1 h ASN 1875Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2fr1 h ASN 1875CO -0.35 0.11 -0.80 0.00 -1.06 0.00 0.00 177.43 175.33 2fr1 h ALA 1876N 1.89 0.44 -0.20 -0.83 0.00 0.19 -2.65 119.26 118.10 2fr1 h ALA 1876Ca -0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 2fr1 h ALA 1876Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2fr1 h ALA 1876CO 0.01 0.74 -0.40 -0.07 0.00 0.00 0.00 179.25 179.54 2fr1 h LEU 1877N 0.36 0.49 -1.05 0.00 3.38 -0.53 -1.66 115.31 116.31 2fr1 h LEU 1877Ca -0.05 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2fr1 h LEU 1877Cb 1.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2fr1 h LEU 1877CO 0.15 0.84 -0.44 0.44 0.09 0.00 0.00 178.44 179.52 2fr1 h ASP 1878N 0.39 0.08 0.01 -0.43 3.45 -1.21 -2.65 116.42 116.05 2fr1 h ASP 1878Ca 0.04 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2fr1 h ASP 1878Cb 0.87 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 2fr1 h ASP 1878CO 0.07 0.51 -0.06 -1.14 -1.57 0.00 0.00 179.24 177.05 2fr1 n ARG 1879N -4.01 1.77 -3.65 3.56 0.63 -1.01 -4.77 116.66 109.19 2fr1 n ARG 1879Ca -0.02 -1.24 -0.24 0.00 -0.92 0.00 0.00 57.85 55.43 2fr1 n ARG 1879Cb 0.48 -1.47 0.07 0.00 0.45 0.00 0.00 32.46 31.98 2fr1 n ARG 1879CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fr1 n ALA 1880N 0.47 -1.49 -2.59 5.13 0.00 -0.71 -4.95 120.51 116.37 2fr1 n ALA 1880Ca 0.16 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2fr1 n ALA 1880Cb 0.45 -4.45 -0.03 0.00 0.00 0.00 0.00 19.45 15.41 2fr1 n ALA 1880CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2fr1 s GLU 1881N -6.18 4.58 0.05 0.00 2.02 -0.73 -4.96 118.70 113.48 2fr1 s GLU 1881Ca 0.45 1.46 -0.08 0.00 0.02 0.00 0.00 54.97 56.81 2fr1 s GLU 1881Cb -0.21 -3.43 -0.31 0.00 0.10 0.00 0.00 34.13 30.28 2fr1 s GLU 1881CO 0.76 -0.01 1.05 -0.24 0.02 0.00 0.00 175.26 176.84 2fr1 h VAL 1882N 4.61 1.38 -2.08 2.63 3.04 -1.90 -3.40 116.25 120.53 2fr1 h VAL 1882Ca -0.41 -2.90 -0.54 0.00 -1.01 0.00 0.00 66.70 61.83 2fr1 h VAL 1882Cb 1.22 2.96 -0.40 0.00 -2.01 0.00 0.00 31.29 33.06 2fr1 h VAL 1882CO 0.75 0.86 -0.98 0.00 -1.01 0.00 0.00 177.57 177.19 2fr1 s PRO 1884N -2.27 3.02 -0.18 0.00 0.04 -1.23 -4.55 135.00 129.82 2fr1 s PRO 1884Ca 0.40 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2fr1 s PRO 1884Cb 0.26 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2fr1 s PRO 1884CO -0.09 -1.13 -0.18 0.42 0.04 0.00 0.00 177.00 176.07 2fr1 s ILE 1885N -1.85 2.28 -0.33 0.56 1.01 0.31 -1.09 121.20 122.08 2fr1 s ILE 1885Ca 0.73 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2fr1 s ILE 1885Cb -0.26 -1.97 0.09 0.00 0.01 0.00 0.00 42.46 40.33 2fr1 s ILE 1885CO 0.33 0.52 0.04 -0.69 0.00 0.00 0.00 174.94 175.15 2fr1 s VAL 1886N 1.29 2.51 -0.03 2.92 1.01 -0.60 -0.65 120.40 126.85 2fr1 s VAL 1886Ca 0.04 -2.08 -0.19 0.00 0.00 0.00 0.00 61.98 59.76 2fr1 s VAL 1886Cb -0.13 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2fr1 s VAL 1886CO -0.11 -0.47 0.40 -0.51 0.00 0.00 0.00 175.10 174.42 2fr1 s ILE 1887N 1.01 0.04 -0.30 2.22 2.07 -0.41 -1.21 121.20 124.62 2fr1 s ILE 1887Ca 0.05 -0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 58.91 2fr1 s ILE 1887Cb -0.20 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.71 2fr1 s ILE 1887CO -0.06 -0.18 0.06 -0.62 -1.91 0.00 0.00 174.94 172.23 2fr1 s ASP 1888N -1.18 5.05 0.07 4.50 2.15 -1.26 -4.48 116.67 121.51 2fr1 s ASP 1888Ca -0.12 -0.95 0.01 0.00 0.43 0.00 0.00 52.55 51.92 2fr1 s ASP 1888Cb -0.04 -1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 2fr1 s ASP 1888CO 0.05 -0.24 -0.05 0.68 -0.17 0.00 0.00 175.17 175.44 2fr1 s VAL 1889N 1.41 0.49 -0.47 1.11 -7.23 -1.26 0.60 120.40 115.05 2fr1 s VAL 1889Ca -0.00 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 2fr1 s VAL 1889Cb -0.18 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.53 2fr1 s VAL 1889CO 0.01 -0.80 0.33 -0.13 -0.31 0.00 0.00 175.10 174.20 2fr1 s ARG 1890N -3.31 2.43 0.41 4.82 1.81 0.22 -4.96 118.95 120.38 2fr1 s ARG 1890Ca 0.05 -1.77 0.13 0.00 -1.72 0.00 0.00 55.73 52.41 2fr1 s ARG 1890Cb 0.02 -3.90 0.98 0.00 -0.45 0.00 0.00 34.95 31.61 2fr1 s ARG 1890CO -0.05 -1.18 1.95 -1.49 -0.68 0.00 0.00 175.30 173.84 2fr1 h TRP 1891N 8.42 0.53 0.00 -0.53 4.06 -1.88 0.62 115.95 127.17 2fr1 h TRP 1891Ca -0.20 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.74 2fr1 h TRP 1891Cb 1.07 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2fr1 h TRP 1891CO 0.63 0.24 -0.10 0.38 -3.56 0.00 0.00 178.44 176.03 2fr1 h ASP 1892N 0.48 0.00 0.02 -3.49 2.03 -1.94 -1.75 116.42 111.78 2fr1 h ASP 1892Ca 0.33 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 56.25 2fr1 h ASP 1892Cb 0.63 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.06 2fr1 h ASP 1892CO -0.11 0.10 -2.40 -1.14 -1.03 0.00 0.00 179.24 174.66 2fr1 n ARG 1893N -3.59 0.67 0.04 4.15 0.63 -0.44 -4.36 116.66 113.75 2fr1 n ARG 1893Ca -0.02 0.11 -0.13 0.00 -0.92 0.00 0.00 57.85 56.89 2fr1 n ARG 1893Cb 0.22 -1.54 -0.09 0.00 0.45 0.00 0.00 32.46 31.51 2fr1 n ARG 1893CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2fr1 h PHE 1894N 0.00 -0.10 -0.38 -0.14 3.57 -0.78 -3.21 116.94 115.90 2fr1 h PHE 1894Ca -0.55 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.02 2fr1 h PHE 1894Cb 2.03 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.74 2fr1 h PHE 1894CO 0.02 0.23 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.26 2fr1 h LEU 1895N -0.44 -0.16 -0.67 0.59 3.38 -1.57 0.06 115.31 116.50 2fr1 h LEU 1895Ca -0.01 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2fr1 h LEU 1895Cb 0.37 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2fr1 h LEU 1895CO 0.02 -0.04 0.36 -0.07 0.09 0.00 0.00 178.44 178.79 2fr1 h LEU 1896N 0.10 0.52 -0.46 1.67 4.07 -1.76 -0.68 115.31 118.77 2fr1 h LEU 1896Ca 0.19 0.04 -0.17 0.00 0.08 0.00 0.00 57.88 58.02 2fr1 h LEU 1896Cb 0.26 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 2fr1 h LEU 1896CO -0.32 0.33 -0.56 0.00 -1.08 0.00 0.00 178.44 176.81 2fr1 h ALA 1897N 1.37 0.63 0.00 1.53 0.00 -1.44 -1.65 119.26 119.70 2fr1 h ALA 1897Ca 0.31 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2fr1 h ALA 1897Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2fr1 h ALA 1897CO -0.20 0.69 -0.53 -0.92 0.00 0.00 0.00 179.25 178.29 2fr1 h TYR 1898N 0.48 0.00 -0.29 0.00 5.03 -0.58 -3.03 116.97 118.58 2fr1 h TYR 1898Ca 0.01 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2fr1 h TYR 1898Cb 1.12 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 39.33 2fr1 h TYR 1898CO 0.05 0.53 -0.07 0.25 -1.32 0.00 0.00 178.16 177.60 2fr1 n THR 1899N -3.86 2.42 -0.27 1.81 -2.24 -0.30 -4.60 114.28 107.25 2fr1 n THR 1899Ca -0.01 -2.53 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 2fr1 n THR 1899Cb 0.55 -0.29 0.13 0.00 -2.10 0.00 0.00 70.33 68.61 2fr1 n THR 1899CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fr1 h ALA 1900N 1.12 1.04 0.00 6.98 0.00 -1.17 -3.28 119.26 123.94 2fr1 h ALA 1900Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fr1 h ALA 1900Cb 1.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2fr1 h ALA 1900CO 0.30 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2fr1 n GLN 1901N -4.73 -0.57 -3.62 0.00 0.00 -1.26 -5.02 117.38 102.18 2fr1 n GLN 1901Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 57.00 56.68 2fr1 n GLN 1901Cb 0.20 -0.80 -0.12 0.00 0.00 0.00 0.00 30.24 29.52 2fr1 n GLN 1901CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2fr1 s ARG 1902N -0.01 0.21 0.86 2.61 3.52 -1.24 -4.95 118.95 119.96 2fr1 s ARG 1902Ca 0.00 0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 56.25 2fr1 s ARG 1902Cb 0.00 -0.07 0.11 0.00 -1.56 0.00 0.00 34.95 33.42 2fr1 s ARG 1902CO 0.00 -0.34 1.09 -1.25 -0.81 0.00 0.00 175.30 173.99 2fr1 s PRO 1903N 2.47 1.59 -0.05 5.12 0.04 -1.26 -4.04 135.00 138.87 2fr1 s PRO 1903Ca 0.02 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 2fr1 s PRO 1903Cb -0.13 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.63 2fr1 s PRO 1903CO -0.11 -2.01 0.60 -0.08 0.04 0.00 0.00 177.00 175.45 2fr1 s THR 1904N -2.99 0.01 -1.44 1.26 -1.32 -1.26 -5.02 115.64 104.88 2fr1 s THR 1904Ca 0.62 -0.10 0.14 0.00 -1.21 0.00 0.00 61.69 61.15 2fr1 s THR 1904Cb -0.17 -0.92 0.31 0.00 -1.51 0.00 0.00 72.50 70.21 2fr1 s THR 1904CO 0.56 -0.05 1.22 0.54 -2.21 0.00 0.00 174.62 174.67 2fr1 n ARG 1905N 1.05 2.24 -0.21 7.08 1.74 -1.26 -4.58 116.66 122.71 2fr1 n ARG 1905Ca -0.19 -1.95 0.15 0.00 -0.77 0.00 0.00 57.85 55.09 2fr1 n ARG 1905Cb 0.57 -1.33 0.46 0.00 -1.02 0.00 0.00 32.46 31.14 2fr1 n ARG 1905CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2fr1 h LEU 1906N 2.76 0.48 -3.71 0.55 6.46 -1.95 -2.09 115.31 117.81 2fr1 h LEU 1906Ca 0.00 0.03 -0.45 0.00 -0.12 0.00 0.00 57.88 57.34 2fr1 h LEU 1906Cb 0.74 -0.06 -0.26 0.00 -0.73 0.00 0.00 40.66 40.35 2fr1 h LEU 1906CO 0.00 0.24 0.10 0.49 -0.62 0.00 0.00 178.44 178.65 2fr1 n PHE 1907N -4.51 2.33 0.58 1.25 3.01 -1.26 -0.23 117.46 118.63 2fr1 n PHE 1907Ca 0.16 -2.18 0.10 0.00 1.01 0.00 0.00 57.45 56.55 2fr1 n PHE 1907Cb 0.54 -0.78 0.43 0.00 -0.01 0.00 0.00 39.48 39.66 2fr1 n PHE 1907CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2fr1 n ASP 1908N -0.98 0.30 -0.41 4.37 9.92 -0.79 -2.97 116.55 125.99 2fr1 n ASP 1908Ca 0.48 0.56 0.05 0.00 -0.53 0.00 0.00 54.79 55.34 2fr1 n ASP 1908Cb 1.01 -0.63 0.05 0.00 -0.64 0.00 0.00 41.12 40.91 2fr1 n ASP 1908CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2fr1 n GLU 1909N -1.81 0.52 -2.52 -1.24 1.02 -1.26 -4.94 120.64 110.42 2fr1 n GLU 1909Ca 0.04 -1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 55.61 2fr1 n GLU 1909Cb 0.25 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2fr1 n GLU 1909CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fr1 s ILE 1910N -0.84 4.24 0.22 -3.67 -1.09 -1.16 -4.81 121.20 114.09 2fr1 s ILE 1910Ca 0.12 1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.81 2fr1 s ILE 1910Cb 0.08 -4.34 0.21 0.00 -1.58 0.00 0.00 42.46 36.84 2fr1 s ILE 1910CO 0.13 -0.62 1.66 -2.24 -1.23 0.00 0.00 174.94 172.63 2fr1 h ASP 1911N 9.05 -0.32 0.67 3.58 2.03 -1.92 0.36 116.42 129.89 2fr1 h ASP 1911Ca -0.24 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2fr1 h ASP 1911Cb 1.08 0.29 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2fr1 h ASP 1911CO 1.06 -0.13 0.00 0.47 -1.03 0.00 0.00 179.24 179.61 2fr1 n ASP 1912N -5.31 0.26 0.14 4.15 10.43 -1.26 -0.61 116.55 124.35 2fr1 n ASP 1912Ca 0.09 0.56 0.12 0.00 2.57 0.00 0.00 54.79 58.13 2fr1 n ASP 1912Cb 0.36 -0.61 0.06 0.00 1.84 0.00 0.00 41.12 42.77 2fr1 n ASP 1912CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fr1 h ALA 1913N 2.47 0.68 0.00 2.24 0.00 -0.59 -3.30 119.26 120.76 2fr1 h ALA 1913Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fr1 h ALA 1913Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2fr1 h ALA 1913CO 0.00 0.00 -1.27 -2.13 0.00 0.00 0.00 179.25 175.85 2fr1 n ARG 1914N -2.81 1.18 0.00 0.00 0.63 -0.87 -5.01 116.66 109.78 2fr1 n ARG 1914Ca 0.01 -0.08 0.14 0.00 -0.92 0.00 0.00 57.85 57.01 2fr1 n ARG 1914Cb 0.54 -1.29 0.53 0.00 0.45 0.00 0.00 32.46 32.70 2fr1 n ARG 1914CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99