#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbc n TYR 7 N 0.00 0.00 -1.30 5.58 4.01 -1.26 -4.95 117.16 119.24 3kbc n TYR 7 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3kbc n TYR 7 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 39.34 38.84 3kbc n TYR 7 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3kbc n ILE 8 N 0.00 0.00 0.02 -0.72 3.06 -1.26 -4.70 119.36 115.76 3kbc n ILE 8 Ca 0.00 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 3kbc n ILE 8 Cb 0.00 -0.07 -0.00 0.00 0.54 0.00 0.00 39.64 40.11 3kbc n ILE 8 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kbc n GLU 9 N 5.17 5.07 -0.92 9.51 -0.58 -1.26 -5.10 120.64 132.53 3kbc n GLU 9 Ca 0.59 -0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.96 3kbc n GLU 9 Cb 0.11 -0.65 0.07 0.00 -0.57 0.00 0.00 31.44 30.39 3kbc n GLU 9 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kbc n TYR 10 N -1.14 -1.95 -2.24 -0.32 4.02 -1.26 -4.77 117.16 109.50 3kbc n TYR 10 Ca 0.00 0.43 -0.32 0.00 -0.01 0.00 0.00 57.90 58.00 3kbc n TYR 10 Cb 0.01 -1.44 -0.04 0.00 -0.02 0.00 0.00 39.34 37.84 3kbc n TYR 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3kbc s PRO 11 N -2.37 2.95 0.00 -0.72 0.04 -1.26 -4.87 135.00 128.76 3kbc s PRO 11 Ca 0.42 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.68 3kbc s PRO 11 Cb 0.00 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.33 3kbc s PRO 11 CO 0.69 -3.05 0.00 1.33 0.04 0.00 0.00 177.00 176.01 3kbc n VAL 12 N 7.48 0.00 -0.09 -0.36 0.24 -1.26 0.10 118.33 124.43 3kbc n VAL 12 Ca 0.39 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.58 3kbc n VAL 12 Cb 0.48 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 3kbc n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3kbc h LEU 13 N 0.00 -1.55 -0.19 1.34 6.46 -1.92 0.75 115.31 120.20 3kbc h LEU 13 Ca 0.00 0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.87 3kbc h LEU 13 Cb 0.00 0.63 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3kbc h LEU 13 CO 0.00 -0.35 -0.23 1.56 -0.62 0.00 0.00 178.44 178.80 3kbc h GLN 14 N -0.37 0.49 -0.36 1.25 7.50 -0.74 -2.17 115.11 120.71 3kbc h GLN 14 Ca 0.05 -0.27 0.10 0.00 0.50 0.00 0.00 58.65 59.04 3kbc h GLN 14 Cb 0.52 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 3kbc h GLN 14 CO -0.47 0.86 0.77 -0.22 -1.50 0.00 0.00 178.83 178.26 3kbc h LYS 15 N 0.14 0.00 0.01 1.46 3.64 -0.61 0.35 116.57 121.57 3kbc h LYS 15 Ca 0.02 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.02 3kbc h LYS 15 Cb 0.79 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 3kbc h LYS 15 CO 0.05 0.00 -2.44 -0.89 -2.27 0.00 0.00 179.45 173.90 3kbc n ILE 16 N -3.05 1.51 0.32 2.00 5.41 0.25 -4.17 119.36 121.63 3kbc n ILE 16 Ca 0.07 -0.59 0.20 0.00 1.00 0.00 0.00 62.75 63.44 3kbc n ILE 16 Cb 0.90 -1.41 1.10 0.00 -0.71 0.00 0.00 39.64 39.52 3kbc n ILE 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kbc h LEU 17 N 0.01 0.00 -0.18 1.39 3.38 0.24 0.30 115.31 120.44 3kbc h LEU 17 Ca -0.57 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 3kbc h LEU 17 Cb 1.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.68 3kbc h LEU 17 CO -0.07 0.00 -0.64 0.40 0.09 0.00 0.00 178.44 178.22 3kbc h ILE 18 N 0.00 1.30 -0.51 1.22 1.08 -1.10 -1.42 117.51 118.08 3kbc h ILE 18 Ca -0.00 -1.86 -0.12 0.00 -0.39 0.00 0.00 64.86 62.49 3kbc h ILE 18 Cb 0.03 1.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 3kbc h ILE 18 CO 0.00 0.59 -0.14 1.23 -0.69 0.00 0.00 178.15 179.14 3kbc h GLY 19 N 0.47 1.05 0.83 5.37 0.00 -1.15 0.17 103.07 109.82 3kbc h GLY 19 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 3kbc h GLY 19 CO 0.14 0.79 -0.40 -2.00 0.00 0.00 0.00 176.54 175.06 3kbc h LEU 20 N 0.86 -0.94 -0.99 3.11 5.85 -1.22 0.84 115.31 122.81 3kbc h LEU 20 Ca 0.13 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3kbc h LEU 20 Cb 0.69 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3kbc h LEU 20 CO 0.05 -0.60 0.12 0.40 -0.34 0.00 0.00 178.44 178.07 3kbc h ILE 21 N -1.26 1.23 -0.09 4.05 1.08 -1.31 -1.71 117.51 119.50 3kbc h ILE 21 Ca -0.11 -0.85 -0.20 0.00 -0.39 0.00 0.00 64.86 63.31 3kbc h ILE 21 Cb 0.86 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3kbc h ILE 21 CO 0.19 0.31 -0.78 0.25 -0.69 0.00 0.00 178.15 177.43 3kbc h LEU 22 N 0.82 0.66 -0.54 1.44 5.85 -0.65 -3.16 115.31 119.74 3kbc h LEU 22 Ca 0.18 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 3kbc h LEU 22 Cb 0.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kbc h LEU 22 CO 0.00 1.22 -0.19 1.23 -0.34 0.00 0.00 178.44 180.36 3kbc h GLY 23 N 1.00 1.06 0.80 3.75 0.00 0.93 -2.36 103.07 108.25 3kbc h GLY 23 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.40 3kbc h GLY 23 CO 0.14 0.83 0.18 0.00 0.00 0.00 0.00 176.54 177.70 3kbc h ALA 24 N 0.92 0.46 -0.05 3.60 0.00 -1.35 0.20 119.26 123.04 3kbc h ALA 24 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kbc h ALA 24 Cb 0.76 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kbc h ALA 24 CO 0.06 -0.19 0.01 0.82 0.00 0.00 0.00 179.25 179.95 3kbc h ILE 25 N 0.37 1.22 0.00 0.00 5.03 -1.51 0.13 117.51 122.75 3kbc h ILE 25 Ca 0.16 -0.66 -0.00 0.00 -0.12 0.00 0.00 64.86 64.24 3kbc h ILE 25 Cb 0.08 1.55 -0.00 0.00 -3.03 0.00 0.00 36.82 35.42 3kbc h ILE 25 CO -0.12 0.18 -0.01 0.58 -0.68 0.00 0.00 178.15 178.10 3kbc h VAL 26 N -0.16 0.76 0.14 1.67 2.07 -1.22 -0.63 116.25 118.89 3kbc h VAL 26 Ca 0.02 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kbc h VAL 26 Cb 0.28 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kbc h VAL 26 CO 0.00 0.01 -0.07 1.23 0.02 0.00 0.00 177.57 178.77 3kbc h GLY 27 N 0.05 -0.20 1.01 2.17 0.00 -0.16 -3.21 103.07 102.73 3kbc h GLY 27 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3kbc h GLY 27 CO 0.00 -0.07 -0.33 1.41 0.00 0.00 0.00 176.54 177.55 3kbc h LEU 28 N -0.86 -0.79 -1.00 3.11 -0.00 -0.52 -1.50 115.31 113.74 3kbc h LEU 28 Ca -0.02 0.03 0.40 0.00 -0.00 0.00 0.00 57.88 58.29 3kbc h LEU 28 Cb 0.53 0.20 -0.18 0.00 -0.00 0.00 0.00 40.66 41.22 3kbc h LEU 28 CO 0.03 -0.56 0.54 0.16 -0.00 0.00 0.00 178.44 178.61 3kbc h ILE 29 N -0.93 0.05 -0.00 1.22 3.07 -1.29 22.38 117.51 142.01 3kbc h ILE 29 Ca -0.09 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3kbc h ILE 29 Cb 0.71 -0.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 3kbc h ILE 29 CO 0.16 0.01 0.00 0.18 -1.05 0.00 0.00 178.15 177.44 3kbc n LEU 30 N -5.23 0.01 0.25 0.16 4.32 -0.76 -3.01 117.00 112.74 3kbc n LEU 30 Ca 0.37 -0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 56.20 3kbc n LEU 30 Cb 1.24 -0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.96 3kbc n LEU 30 CO 0.02 0.00 0.71 1.23 -1.22 0.00 0.00 177.39 178.14 3kbc h GLY 31 N 5.13 -0.61 0.00 -0.72 0.00 5.36 -3.32 103.07 108.91 3kbc h GLY 31 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kbc h GLY 31 CO 0.00 -0.22 0.00 1.42 0.00 0.00 0.00 176.54 177.74 3kbc n HIS 32 N -5.33 -1.21 -3.57 5.60 8.25 -1.16 -4.77 115.22 113.03 3kbc n HIS 32 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3kbc n HIS 32 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3kbc n HIS 32 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kbc n TYR 33 N -0.43 0.00 -1.43 4.41 4.01 -1.26 -4.48 117.16 117.99 3kbc n TYR 33 Ca 0.00 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.27 3kbc n TYR 33 Cb 0.00 0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 3kbc n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbc n GLY 34 N 0.00 -0.14 3.48 2.72 0.00 -1.26 -4.79 105.19 105.19 3kbc n GLY 34 Ca 0.00 1.05 -0.45 0.00 0.00 0.00 0.00 46.02 46.62 3kbc n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kbc n TYR 35 N 10.19 0.04 0.20 1.61 0.53 -1.26 -4.70 117.16 123.77 3kbc n TYR 35 Ca 0.55 0.76 0.12 0.00 -1.02 0.00 0.00 57.90 58.31 3kbc n TYR 35 Cb 0.11 -2.06 0.65 0.00 -1.03 0.00 0.00 39.34 37.00 3kbc n TYR 35 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kbc h ALA 36 N 1.26 1.06 -0.97 -0.72 0.00 -1.80 -2.45 119.26 115.64 3kbc h ALA 36 Ca -0.36 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.82 3kbc h ALA 36 Cb 1.39 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 3kbc h ALA 36 CO 0.56 -0.06 0.51 1.25 0.00 0.00 0.00 179.25 181.51 3kbc h HIS 37 N 0.00 0.84 -0.40 0.00 -0.00 -1.93 3.69 115.15 117.34 3kbc h HIS 37 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3kbc h HIS 37 Cb 0.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 3kbc h HIS 37 CO 0.00 -0.08 0.21 0.00 -0.00 0.00 0.00 177.93 178.05 3kbc h ALA 38 N 1.78 1.61 -0.12 5.26 0.00 -1.77 -1.93 119.26 124.09 3kbc h ALA 38 Ca 0.65 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.41 3kbc h ALA 38 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kbc h ALA 38 CO -0.56 0.33 -0.24 0.28 0.00 0.00 0.00 179.25 179.06 3kbc h VAL 39 N 0.56 1.38 0.00 0.00 2.07 0.65 -1.88 116.25 119.02 3kbc h VAL 39 Ca 0.14 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3kbc h VAL 39 Cb 0.04 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3kbc h VAL 39 CO -0.02 0.44 0.00 1.57 0.02 0.00 0.00 177.57 179.58 3kbc n HIS 40 N -4.47 0.00 -0.02 1.57 -0.00 0.19 -0.38 115.22 112.10 3kbc n HIS 40 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.63 3kbc n HIS 40 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 3kbc n HIS 40 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3kbc n THR 41 N -0.98 0.27 0.02 3.57 -1.04 -0.93 -4.67 114.28 110.52 3kbc n THR 41 Ca 0.05 -0.14 0.01 0.00 -2.04 0.00 0.00 64.05 61.93 3kbc n THR 41 Cb 0.02 -0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 3kbc n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3kbc n TYR 42 N -2.34 0.00 -0.11 -1.42 4.02 -0.73 -4.68 117.16 111.89 3kbc n TYR 42 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.62 3kbc n TYR 42 Cb 0.61 -0.04 -0.08 0.00 -0.02 0.00 0.00 39.34 39.81 3kbc n TYR 42 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kbc n VAL 43 N -1.46 1.51 -0.30 -0.72 0.31 0.49 -4.54 118.33 113.62 3kbc n VAL 43 Ca -0.00 -0.10 0.15 0.00 -0.01 0.00 0.00 64.34 64.38 3kbc n VAL 43 Cb 0.05 -2.09 0.40 0.00 -0.91 0.00 0.00 33.84 31.29 3kbc n VAL 43 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kbc h LYS 44 N -1.00 0.62 -1.03 5.55 3.64 -1.49 -2.43 116.57 120.43 3kbc h LYS 44 Ca -0.37 -0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.24 3kbc h LYS 44 Cb 1.25 -0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.81 3kbc h LYS 44 CO -0.22 0.41 0.62 -1.00 -2.27 0.00 0.00 179.45 176.99 3kbc h PRO 45 N 0.64 0.48 -0.05 1.90 0.13 -1.83 0.21 132.00 133.48 3kbc h PRO 45 Ca 0.51 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.43 3kbc h PRO 45 Cb 0.94 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3kbc h PRO 45 CO -0.26 0.32 -0.76 0.74 -0.23 0.00 0.00 178.00 177.80 3kbc h PHE 46 N 0.49 0.44 0.00 1.56 0.04 -1.71 -1.97 116.94 115.79 3kbc h PHE 46 Ca 0.64 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 61.17 3kbc h PHE 46 Cb 1.38 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 3kbc h PHE 46 CO -0.01 0.96 -0.20 0.78 -0.60 0.00 0.00 178.31 179.25 3kbc h GLY 47 N 1.46 0.00 0.58 -1.45 0.00 -0.70 -2.65 103.07 100.31 3kbc h GLY 47 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 3kbc h GLY 47 CO 0.12 0.00 -0.69 -0.55 0.00 0.00 0.00 176.54 175.43 3kbc h ASP 48 N 0.00 0.40 -0.83 0.19 3.32 -0.86 -2.53 116.42 116.10 3kbc h ASP 48 Ca -0.00 -0.96 0.18 0.00 0.02 0.00 0.00 57.03 56.26 3kbc h ASP 48 Cb 0.47 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.79 3kbc h ASP 48 CO 0.03 1.33 0.36 0.25 -1.72 0.00 0.00 179.24 179.49 3kbc h LEU 49 N -0.47 0.34 0.27 1.55 5.85 -1.13 0.25 115.31 121.96 3kbc h LEU 49 Ca -0.12 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kbc h LEU 49 Cb 1.54 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.67 3kbc h LEU 49 CO 0.13 0.08 -0.13 0.15 -0.34 0.00 0.00 178.44 178.33 3kbc h PHE 50 N 0.46 -0.34 -0.71 1.25 3.57 -1.54 -1.33 116.94 118.30 3kbc h PHE 50 Ca 0.48 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.09 3kbc h PHE 50 Cb 0.81 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 3kbc h PHE 50 CO -0.15 -0.12 0.47 0.28 -2.23 0.00 0.00 178.31 176.57 3kbc h VAL 51 N -0.50 0.88 0.06 1.41 2.07 -0.50 -2.43 116.25 117.24 3kbc h VAL 51 Ca -0.04 -0.18 -0.21 0.00 0.82 0.00 0.00 66.70 67.09 3kbc h VAL 51 Cb 0.37 0.32 0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3kbc h VAL 51 CO 0.06 0.09 -0.87 0.03 0.02 0.00 0.00 177.57 176.91 3kbc h ARG 52 N 0.52 0.48 -1.08 1.57 3.08 -0.39 -2.84 114.38 115.71 3kbc h ARG 52 Ca 0.34 -0.60 0.30 0.00 0.07 0.00 0.00 59.98 60.09 3kbc h ARG 52 Cb 0.61 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 3kbc h ARG 52 CO -0.11 1.23 0.74 -0.07 -1.07 0.00 0.00 179.97 180.69 3kbc h LEU 53 N -0.01 0.18 0.04 3.04 3.38 -0.75 0.26 115.31 121.45 3kbc h LEU 53 Ca -0.13 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3kbc h LEU 53 Cb 1.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.35 3kbc h LEU 53 CO 0.17 0.03 -0.20 -0.07 0.09 0.00 0.00 178.44 178.46 3kbc h LEU 54 N 0.16 0.12 -2.75 1.67 4.07 -1.51 -3.28 115.31 113.79 3kbc h LEU 54 Ca 0.55 -0.99 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3kbc h LEU 54 Cb 1.86 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 3kbc h LEU 54 CO -0.12 1.10 0.04 0.00 -1.08 0.00 0.00 178.44 178.38 3kbc h MET 56 N 0.00 -0.76 -0.74 0.00 -1.53 -1.06 -2.91 114.93 107.94 3kbc h MET 56 Ca 0.01 0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 3kbc h MET 56 Cb 0.09 0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 3kbc h MET 56 CO -0.00 -0.50 0.45 -0.07 0.14 0.00 0.00 176.91 176.93 3kbc h LEU 57 N -0.78 0.87 -0.57 3.39 3.38 -1.44 -3.32 115.31 116.84 3kbc h LEU 57 Ca -0.04 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.08 3kbc h LEU 57 Cb 0.67 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 3kbc h LEU 57 CO -0.01 0.66 0.14 0.55 0.09 0.00 0.00 178.44 179.88 3kbc n VAL 58 N -4.40 -0.24 -0.00 1.22 3.14 -1.09 -1.96 118.33 115.00 3kbc n VAL 58 Ca 0.08 1.20 -0.05 0.00 -2.96 0.00 0.00 64.34 62.61 3kbc n VAL 58 Cb 0.06 -1.84 -0.04 0.00 -1.06 0.00 0.00 33.84 30.96 3kbc n VAL 58 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kbc h MET 59 N 0.00 -0.11 -0.98 1.45 2.86 -1.76 -2.27 114.93 114.13 3kbc h MET 59 Ca 0.40 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.21 3kbc h MET 59 Cb 0.96 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.56 3kbc h MET 59 CO -0.49 0.16 0.61 -1.35 1.06 0.00 0.00 176.91 176.90 3kbc h PRO 60 N -1.00 0.78 -0.02 -0.22 0.11 -1.68 -2.00 132.00 127.97 3kbc h PRO 60 Ca -0.01 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.80 3kbc h PRO 60 Cb 0.32 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 31.27 3kbc h PRO 60 CO 0.02 0.52 -0.96 -0.84 -0.21 0.00 0.00 178.00 176.53 3kbc h ILE 61 N 0.81 1.29 -0.03 4.15 3.07 -1.53 -0.50 117.51 124.77 3kbc h ILE 61 Ca 0.52 -2.18 0.01 0.00 1.55 0.00 0.00 64.86 64.75 3kbc h ILE 61 Cb 0.74 2.34 -0.00 0.00 -0.27 0.00 0.00 36.82 39.63 3kbc h ILE 61 CO -0.29 0.68 0.07 0.58 -1.05 0.00 0.00 178.15 178.14 3kbc h VAL 62 N 0.37 0.20 0.00 0.16 2.07 -0.81 0.65 116.25 118.89 3kbc h VAL 62 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kbc h VAL 62 Cb 1.62 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3kbc h VAL 62 CO 0.19 0.00 0.00 0.33 0.02 0.00 0.00 177.57 178.11 3kbc n PHE 63 N -3.35 0.00 -0.34 1.57 7.35 -0.81 -3.74 117.46 118.14 3kbc n PHE 63 Ca -0.02 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.74 3kbc n PHE 63 Cb 0.15 -0.17 0.24 0.00 0.35 0.00 0.00 39.48 40.04 3kbc n PHE 63 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kbc h ALA 64 N -2.00 1.46 -0.64 3.13 0.00 -1.11 -0.32 119.26 119.77 3kbc h ALA 64 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kbc h ALA 64 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3kbc h ALA 64 CO 0.00 0.14 0.43 1.03 0.00 0.00 0.00 179.25 180.85 3kbc h SER 65 N 0.90 0.55 0.56 0.00 0.87 0.15 -2.59 113.55 113.98 3kbc h SER 65 Ca 0.49 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.83 3kbc h SER 65 Cb 0.54 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3kbc h SER 65 CO -0.29 0.35 -1.60 0.18 -0.53 0.00 0.00 176.83 174.94 3kbc n LEU 66 N -4.48 0.79 -0.14 2.23 4.77 -0.25 -2.20 117.00 117.73 3kbc n LEU 66 Ca 0.09 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.39 3kbc n LEU 66 Cb 0.25 0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.62 3kbc n LEU 66 CO 0.34 0.26 0.91 0.58 -1.33 0.00 0.00 177.39 178.14 3kbc h VAL 67 N 0.00 1.24 -0.00 4.08 2.07 -1.07 0.17 116.25 122.74 3kbc h VAL 67 Ca -0.23 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3kbc h VAL 67 Cb 1.78 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3kbc h VAL 67 CO 0.06 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.56 3kbc h VAL 68 N 0.82 1.59 -0.74 2.57 2.07 -1.59 -2.65 116.25 118.32 3kbc h VAL 68 Ca 0.16 -1.76 0.11 0.00 0.82 0.00 0.00 66.70 66.03 3kbc h VAL 68 Cb 0.41 2.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 3kbc h VAL 68 CO 0.01 0.46 0.35 1.23 0.02 0.00 0.00 177.57 179.64 3kbc h GLY 69 N -0.73 1.13 0.95 2.17 0.00 -1.26 -1.64 103.07 103.69 3kbc h GLY 69 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3kbc h GLY 69 CO 0.00 0.01 0.05 0.00 0.00 0.00 0.00 176.54 176.60 3kbc h ALA 70 N 1.48 0.12 0.00 3.60 0.00 -0.71 -1.96 119.26 121.78 3kbc h ALA 70 Ca 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kbc h ALA 70 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kbc h ALA 70 CO -0.32 -0.36 -0.00 0.00 0.00 0.00 0.00 179.25 178.58 3kbc h ALA 71 N 0.98 1.14 -0.46 0.00 0.00 -0.99 -0.79 119.26 119.14 3kbc h ALA 71 Ca 0.03 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3kbc h ALA 71 Cb 0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 3kbc h ALA 71 CO -0.01 0.00 0.20 0.43 0.00 0.00 0.00 179.25 179.88 3kbc n SER 72 N -3.29 3.56 0.00 0.00 7.64 -0.69 -3.64 113.62 117.20 3kbc n SER 72 Ca -0.03 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.11 3kbc n SER 72 Cb 0.08 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3kbc n SER 72 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kbc n ILE 73 N -0.07 0.00 -1.54 0.44 5.41 -0.41 -5.05 119.36 118.15 3kbc n ILE 73 Ca 0.26 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.58 3kbc n ILE 73 Cb 1.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.88 3kbc n ILE 73 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3kbc n SER 74 N 0.00 2.53 -4.60 4.38 7.64 -0.59 -4.87 113.62 118.11 3kbc n SER 74 Ca 0.00 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 3kbc n SER 74 Cb 0.39 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 3kbc n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3kbc s PRO 75 N 6.99 3.90 -0.03 1.43 0.04 -1.26 0.12 135.00 146.19 3kbc s PRO 75 Ca 1.05 0.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 3kbc s PRO 75 Cb -0.49 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 3kbc s PRO 75 CO 0.37 -0.65 0.09 0.00 0.04 0.00 0.00 177.00 176.86 3kbc s ALA 76 N 2.81 3.63 0.00 8.56 0.00 -1.26 -5.10 121.76 130.40 3kbc s ALA 76 Ca 0.29 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3kbc s ALA 76 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3kbc s ALA 76 CO 0.13 0.68 0.00 2.89 0.00 0.00 0.00 175.76 179.45 3kbc n ARG 77 N 1.37 0.00 -4.27 0.00 1.85 0.32 -4.94 116.66 110.99 3kbc n ARG 77 Ca -0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.51 3kbc n ARG 77 Cb 0.53 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.78 3kbc n ARG 77 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3kbc s LEU 78 N 0.00 1.67 1.04 2.89 2.34 -1.26 -4.92 118.68 120.43 3kbc s LEU 78 Ca 0.00 -0.15 -0.21 0.00 0.06 0.00 0.00 54.13 53.83 3kbc s LEU 78 Cb 0.00 -0.46 -0.06 0.00 -0.56 0.00 0.00 46.19 45.11 3kbc s LEU 78 CO 0.00 0.02 -0.69 0.61 -1.06 0.00 0.00 176.35 175.23 3kbc n GLY 79 N 3.49 -2.95 0.41 -3.48 0.00 -1.26 -4.54 105.19 96.87 3kbc n GLY 79 Ca -0.20 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.34 3kbc n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kbc n ARG 80 N 0.42 1.52 0.12 1.61 0.63 -1.26 -1.74 116.66 117.96 3kbc n ARG 80 Ca -0.00 -0.80 0.05 0.00 -0.92 0.00 0.00 57.85 56.17 3kbc n ARG 80 Cb 0.66 -1.18 0.02 0.00 0.45 0.00 0.00 32.46 32.41 3kbc n ARG 80 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3kbc h VAL 81 N 1.30 0.51 0.00 5.15 3.04 -2.01 -3.27 116.25 120.97 3kbc h VAL 81 Ca 0.00 -1.79 -0.27 0.00 -1.01 0.00 0.00 66.70 63.63 3kbc h VAL 81 Cb 0.30 2.12 -0.04 0.00 -2.01 0.00 0.00 31.29 31.66 3kbc h VAL 81 CO 0.00 0.29 -1.48 0.61 -1.01 0.00 0.00 177.57 175.98 3kbc n GLY 82 N 1.24 -0.78 0.27 3.17 0.00 -0.71 -3.68 105.19 104.70 3kbc n GLY 82 Ca -0.01 0.07 0.21 0.00 0.00 0.00 0.00 46.02 46.29 3kbc n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kbc n VAL 83 N -4.40 -0.34 0.42 1.61 0.31 -1.00 0.15 118.33 115.08 3kbc n VAL 83 Ca -0.36 1.71 -0.17 0.00 -0.01 0.00 0.00 64.34 65.51 3kbc n VAL 83 Cb 0.71 -2.67 -0.08 0.00 -0.91 0.00 0.00 33.84 30.89 3kbc n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kbc h LYS 84 N 0.00 -1.06 -0.80 5.55 1.57 -1.71 -1.50 116.57 118.62 3kbc h LYS 84 Ca 0.62 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.59 3kbc h LYS 84 Cb 1.54 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 34.01 3kbc h LYS 84 CO -0.68 -0.70 0.42 0.97 -0.57 0.00 0.00 179.45 178.88 3kbc h ILE 85 N -1.29 0.82 0.35 1.86 6.09 0.13 -1.82 117.51 123.66 3kbc h ILE 85 Ca -0.11 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 3kbc h ILE 85 Cb 0.84 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 38.23 3kbc h ILE 85 CO 0.18 0.12 -0.19 0.58 -3.07 0.00 0.00 178.15 175.77 3kbc h VAL 86 N 0.66 0.60 -0.77 2.19 2.07 0.92 -0.02 116.25 121.91 3kbc h VAL 86 Ca 0.40 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.15 3kbc h VAL 86 Cb 0.47 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3kbc h VAL 86 CO -0.30 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.43 3kbc h VAL 87 N -0.51 0.62 0.68 2.57 2.07 -0.85 -1.53 116.25 119.29 3kbc h VAL 87 Ca -0.04 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3kbc h VAL 87 Cb 0.41 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kbc h VAL 87 CO 0.06 0.00 -0.32 0.22 0.02 0.00 0.00 177.57 177.54 3kbc h TYR 88 N 0.00 -0.84 -0.47 1.57 3.20 -0.22 -2.91 116.97 117.30 3kbc h TYR 88 Ca 0.37 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.31 3kbc h TYR 88 Cb 1.46 0.28 -0.10 0.00 1.54 0.00 0.00 36.73 39.91 3kbc h TYR 88 CO -0.00 -0.52 -0.22 1.88 -1.64 0.00 0.00 178.16 177.66 3kbc h TYR 89 N -1.10 -0.56 0.43 -3.82 0.05 -0.14 -0.99 116.97 110.84 3kbc h TYR 89 Ca -0.09 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3kbc h TYR 89 Cb 0.70 0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 3kbc h TYR 89 CO 0.03 -0.30 -0.48 -0.07 -1.05 0.00 0.00 178.16 176.28 3kbc h LEU 90 N -0.12 -1.35 -1.63 3.88 4.07 -1.57 0.31 115.31 118.91 3kbc h LEU 90 Ca 0.22 0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.44 3kbc h LEU 90 Cb 0.46 0.45 -0.05 0.00 1.08 0.00 0.00 40.66 42.61 3kbc h LEU 90 CO -0.55 -0.63 0.48 -0.07 -1.08 0.00 0.00 178.44 176.59 3kbc h LEU 91 N -0.93 0.35 -0.10 1.67 3.38 -1.30 1.86 115.31 120.24 3kbc h LEU 91 Ca -0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kbc h LEU 91 Cb 0.83 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kbc h LEU 91 CO -0.10 0.19 -0.08 0.71 0.09 0.00 0.00 178.44 179.25 3kbc h THR 92 N 0.38 1.34 -0.16 0.22 1.35 -0.60 -1.97 112.91 113.47 3kbc h THR 92 Ca 0.35 -1.19 -0.19 0.00 -0.55 0.00 0.00 66.41 64.83 3kbc h THR 92 Cb 0.81 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3kbc h THR 92 CO -0.10 0.34 -0.66 0.28 -0.25 0.00 0.00 175.52 175.12 3kbc h SER 93 N -0.15 0.71 -0.67 5.36 0.02 0.03 0.93 113.55 119.79 3kbc h SER 93 Ca 0.02 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3kbc h SER 93 Cb 0.57 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3kbc h SER 93 CO 0.02 1.18 0.44 0.00 -1.14 0.00 0.00 176.83 177.34 3kbc h ALA 94 N 0.81 1.53 0.08 3.77 0.00 0.29 -1.77 119.26 123.97 3kbc h ALA 94 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3kbc h ALA 94 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kbc h ALA 94 CO 0.13 0.44 -1.38 0.35 0.00 0.00 0.00 179.25 178.79 3kbc h PHE 95 N 0.90 0.32 -0.76 0.00 3.57 -1.26 -3.08 116.94 116.63 3kbc h PHE 95 Ca 0.24 -0.23 0.14 0.00 3.53 0.00 0.00 57.97 61.65 3kbc h PHE 95 Cb -0.10 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.53 3kbc h PHE 95 CO -0.00 1.24 0.32 0.00 -2.23 0.00 0.00 178.31 177.64 3kbc h ALA 96 N 0.67 1.07 -0.03 2.41 0.00 0.04 0.17 119.26 123.59 3kbc h ALA 96 Ca -0.18 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kbc h ALA 96 Cb 1.96 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3kbc h ALA 96 CO 0.16 -0.18 -0.12 -0.24 0.00 0.00 0.00 179.25 178.87 3kbc h VAL 97 N 0.48 1.47 -1.11 0.00 3.04 -1.53 -2.22 116.25 116.38 3kbc h VAL 97 Ca 0.41 -1.55 0.31 0.00 -1.01 0.00 0.00 66.70 64.86 3kbc h VAL 97 Cb 0.60 2.41 -0.07 0.00 -2.01 0.00 0.00 31.29 32.22 3kbc h VAL 97 CO -0.38 0.42 0.77 0.74 -1.01 0.00 0.00 177.57 178.11 3kbc h THR 98 N -0.43 0.45 0.04 3.17 2.02 -1.18 0.89 112.91 117.88 3kbc h THR 98 Ca -0.00 -0.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.85 3kbc h THR 98 Cb 0.75 0.28 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3kbc h THR 98 CO 0.02 0.03 -1.09 0.25 0.37 0.00 0.00 175.52 175.10 3kbc h LEU 99 N 0.16 0.90 -1.02 2.58 6.46 -0.57 -3.20 115.31 120.61 3kbc h LEU 99 Ca 0.57 -0.77 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3kbc h LEU 99 Cb 1.93 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 41.52 3kbc h LEU 99 CO -0.14 1.55 0.65 1.23 -0.62 0.00 0.00 178.44 181.12 3kbc h GLY 100 N 0.34 1.51 1.63 3.75 0.00 0.14 -0.66 103.07 109.78 3kbc h GLY 100 Ca -0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 3kbc h GLY 100 CO 0.21 0.35 -0.04 -2.22 0.00 0.00 0.00 176.54 174.85 3kbc h ILE 101 N 1.19 1.19 0.00 2.60 5.03 -1.25 -0.13 117.51 126.14 3kbc h ILE 101 Ca 0.43 -0.79 -0.10 0.00 -0.12 0.00 0.00 64.86 64.27 3kbc h ILE 101 Cb 0.14 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 3kbc h ILE 101 CO -0.16 0.27 -0.48 0.40 -0.68 0.00 0.00 178.15 177.49 3kbc h ILE 102 N 0.44 1.27 0.05 -0.67 2.04 -1.14 -0.35 117.51 119.15 3kbc h ILE 102 Ca 0.09 -1.68 -0.26 0.00 1.00 0.00 0.00 64.86 64.01 3kbc h ILE 102 Cb 0.35 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3kbc h ILE 102 CO 0.01 0.47 -1.09 0.24 0.00 0.00 0.00 178.15 177.79 3kbc h MET 103 N 0.00 0.52 -0.36 2.37 2.86 -0.64 -2.28 114.93 117.39 3kbc h MET 103 Ca -0.00 -0.63 -0.02 0.00 -2.06 0.00 0.00 59.70 56.99 3kbc h MET 103 Cb 0.89 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3kbc h MET 103 CO 0.06 1.25 0.14 0.00 1.06 0.00 0.00 176.91 179.42 3kbc h ALA 104 N 0.52 1.57 0.29 6.32 0.00 -0.71 0.18 119.26 127.42 3kbc h ALA 104 Ca -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kbc h ALA 104 Cb 1.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kbc h ALA 104 CO 0.20 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 3kbc h ARG 105 N 0.51 -0.37 -0.43 0.00 2.47 -0.80 -3.29 114.38 112.47 3kbc h ARG 105 Ca 0.13 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.93 3kbc h ARG 105 Cb 0.11 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.47 3kbc h ARG 105 CO -0.01 -0.25 0.12 1.37 0.56 0.00 0.00 179.97 181.76 3kbc h LEU 106 N -0.53 0.09 -9.23 3.04 8.10 -1.38 -3.38 115.31 112.02 3kbc h LEU 106 Ca -0.04 0.06 -0.59 0.00 0.11 0.00 0.00 57.88 57.42 3kbc h LEU 106 Cb 0.30 0.07 -0.10 0.00 -0.44 0.00 0.00 40.66 40.48 3kbc h LEU 106 CO 0.06 0.08 -0.23 -0.36 -4.11 0.00 0.00 178.44 173.89 3kbc s PHE 107 N -6.15 3.43 -0.90 0.17 0.40 0.61 -5.00 117.98 110.54 3kbc s PHE 107 Ca -0.13 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 3kbc s PHE 107 Cb 0.14 -2.47 0.31 0.00 0.51 0.00 0.00 43.02 41.51 3kbc s PHE 107 CO 0.72 0.10 1.45 0.09 0.70 0.00 0.00 175.22 178.28 3kbc n ASN 108 N 4.03 6.16 -4.67 1.36 5.03 -1.24 -4.09 115.26 121.83 3kbc n ASN 108 Ca -0.09 -3.60 -0.47 0.00 0.87 0.00 0.00 54.58 51.28 3kbc n ASN 108 Cb 0.51 -1.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.22 3kbc n ASN 108 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kbc n PRO 109 N 0.30 2.12 0.00 3.52 -0.02 -1.26 -1.80 135.00 137.86 3kbc n PRO 109 Ca 0.37 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3kbc n PRO 109 Cb 0.32 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3kbc n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbc n GLY 110 N 3.78 2.68 2.91 -1.23 0.00 -1.26 -4.12 105.19 107.96 3kbc n GLY 110 Ca 0.19 -0.62 -0.53 0.00 0.00 0.00 0.00 46.02 45.06 3kbc n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc n ALA 111 N 0.00 0.20 0.00 4.61 0.00 -0.74 0.56 120.51 125.13 3kbc n ALA 111 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3kbc n ALA 111 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3kbc n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbc n GLY 112 N 6.69 2.67 0.06 0.00 0.00 -1.26 -4.86 105.19 108.49 3kbc n GLY 112 Ca 0.49 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.64 3kbc n GLY 112 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kbc n ILE 113 N -0.79 0.31 0.00 -0.61 3.06 2.26 -4.98 119.36 118.61 3kbc n ILE 113 Ca 0.00 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 3kbc n ILE 113 Cb 0.00 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 39.93 3kbc n ILE 113 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kbc n HIS 114 N -1.96 0.00 -4.19 9.51 1.44 -1.12 -4.97 115.22 113.93 3kbc n HIS 114 Ca 0.05 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.61 3kbc n HIS 114 Cb 0.40 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 3kbc n HIS 114 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3kbc s LEU 115 N 0.00 2.41 -0.07 2.39 2.34 -0.81 -5.02 118.68 119.93 3kbc s LEU 115 Ca 0.00 -0.82 0.10 0.00 0.06 0.00 0.00 54.13 53.47 3kbc s LEU 115 Cb 0.00 -0.33 0.16 0.00 -0.56 0.00 0.00 46.19 45.45 3kbc s LEU 115 CO 0.00 -0.25 1.06 0.00 -1.06 0.00 0.00 176.35 176.10 3kbc n ALA 116 N 0.51 2.10 0.00 1.48 0.00 -1.26 -4.78 120.51 118.56 3kbc n ALA 116 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.43 3kbc n ALA 116 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3kbc n ALA 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kbc n VAL 117 N -0.81 0.00 0.00 0.00 0.24 -1.26 0.58 118.33 117.08 3kbc n VAL 117 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3kbc n VAL 117 Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 3kbc n VAL 117 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbc n GLY 118 N 0.00 -0.23 0.00 7.63 0.00 -1.26 -4.67 105.19 106.66 3kbc n GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kbc n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbc n GLY 119 N -1.19 1.04 3.71 -0.02 0.00 0.20 -5.09 105.19 103.84 3kbc n GLY 119 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3kbc n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbc s GLN 120 N -0.29 2.63 0.42 1.61 -0.21 -0.73 -4.98 119.66 118.12 3kbc s GLN 120 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.62 3kbc s GLN 120 Cb 0.00 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.43 3kbc s GLN 120 CO 0.00 0.54 0.59 -1.14 -2.12 0.00 0.00 175.29 173.16 3kbc s GLN 121 N -2.36 2.90 0.08 2.91 0.74 -1.26 -4.31 119.66 118.36 3kbc s GLN 121 Ca 0.27 -0.98 -0.18 0.00 0.05 0.00 0.00 55.36 54.52 3kbc s GLN 121 Cb -0.12 -2.70 -0.07 0.00 1.10 0.00 0.00 33.01 31.23 3kbc s GLN 121 CO 0.19 -0.25 0.55 0.12 -0.55 0.00 0.00 175.29 175.35 3kbc s PHE 122 N -2.40 3.76 -0.20 1.67 5.36 -1.26 -5.07 117.98 119.83 3kbc s PHE 122 Ca 0.51 1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 57.61 3kbc s PHE 122 Cb -0.10 -2.45 0.09 0.00 -0.34 0.00 0.00 43.02 40.22 3kbc s PHE 122 CO 0.34 0.57 0.44 -0.65 -1.46 0.00 0.00 175.22 174.46 3kbc s GLN 123 N -1.26 0.35 0.65 10.12 -0.21 -1.26 -4.90 119.66 123.15 3kbc s GLN 123 Ca 0.30 1.05 -0.15 0.00 0.02 0.00 0.00 55.36 56.58 3kbc s GLN 123 Cb -0.18 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 3kbc s GLN 123 CO 0.18 -0.24 1.09 -1.25 -2.12 0.00 0.00 175.29 172.96 3kbc s PRO 124 N 2.53 2.94 0.20 2.91 0.04 -1.26 -5.03 135.00 137.32 3kbc s PRO 124 Ca -0.03 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 3kbc s PRO 124 Cb -0.12 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3kbc s PRO 124 CO -0.13 -1.13 0.90 -1.01 0.04 0.00 0.00 177.00 175.67 3kbc s HIS 125 N -2.42 3.94 0.29 0.56 3.76 -1.26 -4.99 115.29 115.17 3kbc s HIS 125 Ca 0.65 1.82 -0.30 0.00 -0.15 0.00 0.00 55.06 57.09 3kbc s HIS 125 Cb -0.19 -2.94 -0.12 0.00 1.11 0.00 0.00 32.58 30.44 3kbc s HIS 125 CO 0.41 0.43 1.45 0.00 -0.85 0.00 0.00 174.74 176.18 3kbc n GLN 126 N 1.75 2.32 -2.42 1.40 10.64 -1.26 -4.92 117.38 124.88 3kbc n GLN 126 Ca -0.02 0.82 -0.41 0.00 -1.83 0.00 0.00 57.00 55.56 3kbc n GLN 126 Cb 0.48 -2.51 -0.04 0.00 -0.86 0.00 0.00 30.24 27.31 3kbc n GLN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kbc s ALA 127 N -0.35 3.42 1.19 2.61 0.00 -1.26 -5.00 121.76 122.38 3kbc s ALA 127 Ca 0.63 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 3kbc s ALA 127 Cb -0.57 -3.37 0.28 0.00 0.00 0.00 0.00 23.12 19.46 3kbc s ALA 127 CO 0.53 -0.27 0.89 -2.30 0.00 0.00 0.00 175.76 174.61 3kbc n PRO 128 N 1.87 -2.56 -1.61 0.00 -0.02 -1.26 -4.83 135.00 126.58 3kbc n PRO 128 Ca 0.02 -0.72 -0.45 0.00 -2.02 0.00 0.00 63.50 60.32 3kbc n PRO 128 Cb 0.45 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3kbc n PRO 128 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kbc n PRO 129 N -4.72 1.49 -0.30 0.52 -0.02 -1.26 -4.55 135.00 126.17 3kbc n PRO 129 Ca 0.02 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.17 3kbc n PRO 129 Cb 0.55 -1.98 0.27 0.00 -0.02 0.00 0.00 33.50 32.32 3kbc n PRO 129 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kbc n LEU 130 N 1.45 -0.07 -0.06 2.45 7.94 -1.26 -0.13 117.00 127.32 3kbc n LEU 130 Ca 0.10 1.46 -0.13 0.00 -1.11 0.00 0.00 56.01 56.33 3kbc n LEU 130 Cb 0.31 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.63 3kbc n LEU 130 CO 0.61 -1.50 0.53 0.58 -1.11 0.00 0.00 177.39 176.51 3kbc h VAL 131 N 0.00 0.05 -0.22 1.96 2.07 -2.01 -1.52 116.25 116.58 3kbc h VAL 131 Ca 0.54 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.03 3kbc h VAL 131 Cb 1.15 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3kbc h VAL 131 CO -0.80 0.00 0.01 0.45 0.02 0.00 0.00 177.57 177.25 3kbc h HIS 132 N -0.48 0.32 -0.79 1.57 3.86 -0.85 -2.09 115.15 116.69 3kbc h HIS 132 Ca 0.07 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3kbc h HIS 132 Cb 0.64 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 3kbc h HIS 132 CO -0.60 0.33 0.47 0.97 0.86 0.00 0.00 177.93 179.95 3kbc h ILE 133 N 0.32 1.22 0.00 2.45 6.09 -0.63 0.03 117.51 127.00 3kbc h ILE 133 Ca 0.07 -0.51 -0.00 0.00 -1.37 0.00 0.00 64.86 63.05 3kbc h ILE 133 Cb 0.20 0.12 0.00 0.00 0.47 0.00 0.00 36.82 37.61 3kbc h ILE 133 CO 0.00 0.24 -0.00 -0.07 -3.07 0.00 0.00 178.15 175.25 3kbc h LEU 134 N 1.10 -0.01 -1.91 2.19 3.38 -1.00 -3.25 115.31 115.82 3kbc h LEU 134 Ca 0.28 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3kbc h LEU 134 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kbc h LEU 134 CO -0.05 0.74 -0.07 -0.07 0.09 0.00 0.00 178.44 179.08 3kbc h LEU 135 N -0.76 0.00 -1.93 1.67 3.38 -1.32 -2.17 115.31 114.18 3kbc h LEU 135 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kbc h LEU 135 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kbc h LEU 135 CO 0.00 0.07 -0.05 0.44 0.09 0.00 0.00 178.44 178.99 3kbc h ASP 136 N 0.00 0.00 0.09 -0.43 3.32 -1.02 -2.39 116.42 115.99 3kbc h ASP 136 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kbc h ASP 136 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kbc h ASP 136 CO 0.01 0.05 -0.06 0.16 -1.72 0.00 0.00 179.24 177.68 3kbc h ILE 137 N 0.00 0.86 -3.12 0.35 3.07 -1.45 -3.37 117.51 113.84 3kbc h ILE 137 Ca -0.00 -0.23 -0.62 0.00 1.55 0.00 0.00 64.86 65.56 3kbc h ILE 137 Cb 0.36 1.13 -0.13 0.00 -0.27 0.00 0.00 36.82 37.91 3kbc h ILE 137 CO 0.01 0.06 0.51 -0.69 -1.05 0.00 0.00 178.15 176.99 3kbc s VAL 138 N -4.74 4.43 0.49 0.16 1.01 -0.90 -3.46 120.40 117.39 3kbc s VAL 138 Ca -0.04 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3kbc s VAL 138 Cb 0.16 -4.54 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 3kbc s VAL 138 CO 0.63 -1.13 1.20 -2.65 0.00 0.00 0.00 175.10 173.15 3kbc n PRO 139 N 7.37 1.58 0.07 2.72 -0.02 -1.26 -4.91 135.00 140.54 3kbc n PRO 139 Ca 0.00 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3kbc n PRO 139 Cb 0.47 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 3kbc n PRO 139 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3kbc n THR 140 N -0.79 0.41 -2.86 3.45 5.66 -1.26 -4.67 114.28 114.22 3kbc n THR 140 Ca 0.09 -0.51 -0.07 0.00 -3.05 0.00 0.00 64.05 60.52 3kbc n THR 140 Cb 0.43 -0.20 -0.00 0.00 -1.55 0.00 0.00 70.33 69.00 3kbc n THR 140 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3kbc s ASN 141 N -5.01 -1.10 0.07 1.09 3.84 -1.26 -5.04 114.94 107.52 3kbc s ASN 141 Ca -0.02 -1.84 -0.10 0.00 0.21 0.00 0.00 52.86 51.10 3kbc s ASN 141 Cb 0.11 1.62 0.00 0.00 -0.55 0.00 0.00 41.25 42.43 3kbc s ASN 141 CO 0.83 -0.07 0.57 -2.65 -2.79 0.00 0.00 177.10 172.99 3kbc n PRO 142 N 3.02 -0.15 -0.16 0.43 -0.02 -1.26 0.18 135.00 137.04 3kbc n PRO 142 Ca 0.19 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 3kbc n PRO 142 Cb 0.55 -0.83 0.03 0.00 -0.02 0.00 0.00 33.50 33.23 3kbc n PRO 142 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3kbc h PHE 143 N 0.00 -0.35 0.51 6.00 -1.00 -1.98 0.26 116.94 120.39 3kbc h PHE 143 Ca 0.08 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 3kbc h PHE 143 Cb 0.17 0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.96 3kbc h PHE 143 CO -0.37 -0.24 -0.25 0.78 -1.61 0.00 0.00 178.31 176.62 3kbc h GLY 144 N -0.04 -0.72 -0.94 -1.45 0.00 0.14 1.06 103.07 101.14 3kbc h GLY 144 Ca 0.24 0.27 0.25 0.00 0.00 0.00 0.00 47.33 48.08 3kbc h GLY 144 CO -0.53 -0.26 -0.03 0.00 0.00 0.00 0.00 176.54 175.72 3kbc h ALA 145 N -1.58 1.04 0.02 3.60 0.00 -0.89 0.30 119.26 121.75 3kbc h ALA 145 Ca -0.07 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kbc h ALA 145 Cb 0.53 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kbc h ALA 145 CO 0.12 -0.52 -0.01 1.25 0.00 0.00 0.00 179.25 180.08 3kbc h LEU 146 N 0.01 -0.02 -0.87 0.00 5.85 -0.37 -3.31 115.31 116.61 3kbc h LEU 146 Ca 0.56 -0.47 0.15 0.00 0.84 0.00 0.00 57.88 58.97 3kbc h LEU 146 Cb 1.10 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.98 3kbc h LEU 146 CO -0.93 0.47 -0.31 0.00 -0.34 0.00 0.00 178.44 177.32 3kbc h ALA 147 N 0.46 0.29 -3.12 1.25 0.00 0.49 -3.27 119.26 115.36 3kbc h ALA 147 Ca -0.00 0.28 -0.68 0.00 0.00 0.00 0.00 54.91 54.51 3kbc h ALA 147 Cb 0.49 0.83 -0.37 0.00 0.00 0.00 0.00 17.79 18.74 3kbc h ALA 147 CO 0.00 -0.54 -0.37 0.54 0.00 0.00 0.00 179.25 178.88 3kbc s ASN 148 N -5.27 5.21 0.19 0.00 4.22 -0.55 -5.07 114.94 113.66 3kbc s ASN 148 Ca -0.14 -3.26 0.00 0.00 -2.14 0.00 0.00 52.86 47.32 3kbc s ASN 148 Cb 0.21 -1.80 0.00 0.00 1.28 0.00 0.00 41.25 40.94 3kbc s ASN 148 CO 0.73 -0.25 0.00 0.61 -2.04 0.00 0.00 177.10 176.15 3kbc n GLY 149 N 2.89 1.49 2.53 0.45 0.00 -1.24 -4.89 105.19 106.42 3kbc n GLY 149 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 3kbc n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kbc n GLN 150 N 12.62 -1.33 0.00 1.61 7.27 -1.26 -4.26 117.38 132.03 3kbc n GLN 150 Ca 0.00 1.44 0.00 0.00 0.07 0.00 0.00 57.00 58.51 3kbc n GLN 150 Cb 0.00 -4.49 0.00 0.00 2.41 0.00 0.00 30.24 28.16 3kbc n GLN 150 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3kbc n VAL 151 N -0.92 0.00 0.00 1.69 0.31 -1.26 -3.55 118.33 114.60 3kbc n VAL 151 Ca 0.04 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.91 3kbc n VAL 151 Cb 0.41 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3kbc n VAL 151 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kbc n LEU 152 N -0.04 0.00 -0.32 7.52 4.32 -1.26 0.45 117.00 127.67 3kbc n LEU 152 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 3kbc n LEU 152 Cb 0.00 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 41.94 3kbc n LEU 152 CO 0.00 0.00 0.59 -2.65 -1.22 0.00 0.00 177.39 174.11 3kbc n PRO 153 N -1.30 -0.08 0.21 3.23 -0.02 -1.22 -0.45 135.00 135.37 3kbc n PRO 153 Ca 0.00 1.37 -0.10 0.00 -2.02 0.00 0.00 63.50 62.75 3kbc n PRO 153 Cb 0.00 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 3kbc n PRO 153 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbc h THR 154 N 0.00 0.00 -0.35 3.45 2.02 0.96 -1.79 112.91 117.19 3kbc h THR 154 Ca 0.43 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.65 3kbc h THR 154 Cb 0.69 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3kbc h THR 154 CO -0.90 0.00 -0.21 -0.38 0.37 0.00 0.00 175.52 174.41 3kbc n ILE 155 N -3.92 -0.24 -0.37 3.11 -0.00 0.40 -0.06 119.36 118.29 3kbc n ILE 155 Ca -0.07 1.57 0.02 0.00 -0.00 0.00 0.00 62.75 64.27 3kbc n ILE 155 Cb 0.26 -2.01 0.08 0.00 -0.00 0.00 0.00 39.64 37.96 3kbc n ILE 155 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 3kbc n PHE 156 N -3.76 0.15 -0.27 1.39 7.35 -0.17 -0.36 117.46 121.79 3kbc n PHE 156 Ca 0.01 1.21 -0.06 0.00 -0.76 0.00 0.00 57.45 57.84 3kbc n PHE 156 Cb 0.09 -0.95 0.07 0.00 0.35 0.00 0.00 39.48 39.05 3kbc n PHE 156 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 3kbc h PHE 157 N 0.00 1.19 -0.17 -5.13 3.57 0.44 -2.43 116.94 114.40 3kbc h PHE 157 Ca 0.39 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3kbc h PHE 157 Cb 0.64 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3kbc h PHE 157 CO -0.82 0.92 0.10 0.00 -2.23 0.00 0.00 178.31 176.28 3kbc h ALA 158 N 1.17 0.21 -0.43 2.41 0.00 0.12 0.17 119.26 122.91 3kbc h ALA 158 Ca 0.25 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3kbc h ALA 158 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kbc h ALA 158 CO -0.01 -0.32 0.26 0.82 0.00 0.00 0.00 179.25 179.99 3kbc h ILE 159 N 0.21 1.05 -0.13 0.00 5.03 -1.22 0.15 117.51 122.60 3kbc h ILE 159 Ca 0.07 -0.18 -0.05 0.00 -0.12 0.00 0.00 64.86 64.57 3kbc h ILE 159 Cb -0.01 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 3kbc h ILE 159 CO -0.03 0.09 -0.17 0.40 -0.68 0.00 0.00 178.15 177.77 3kbc h ILE 160 N 0.52 1.19 0.17 -0.67 5.03 -1.13 -0.35 117.51 122.26 3kbc h ILE 160 Ca 0.17 -0.85 -0.01 0.00 -0.12 0.00 0.00 64.86 64.05 3kbc h ILE 160 Cb 0.00 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 35.07 3kbc h ILE 160 CO -0.07 0.26 -0.08 0.25 -0.68 0.00 0.00 178.15 177.83 3kbc h LEU 161 N 0.19 -0.19 0.23 1.44 5.85 0.13 -2.47 115.31 120.50 3kbc h LEU 161 Ca 0.04 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kbc h LEU 161 Cb 0.42 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3kbc h LEU 161 CO 0.03 0.35 -0.52 1.23 -0.34 0.00 0.00 178.44 179.19 3kbc h GLY 162 N -0.84 -1.20 1.29 3.75 0.00 -0.60 0.94 103.07 106.41 3kbc h GLY 162 Ca -0.02 0.63 0.10 0.00 0.00 0.00 0.00 47.33 48.03 3kbc h GLY 162 CO 0.04 -0.30 0.26 -2.22 0.00 0.00 0.00 176.54 174.32 3kbc h ILE 163 N -0.82 0.72 -0.12 2.60 2.04 -1.19 -0.86 117.51 119.88 3kbc h ILE 163 Ca -0.02 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 3kbc h ILE 163 Cb 0.79 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3kbc h ILE 163 CO -0.22 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.40 3kbc h ALA 164 N 1.79 0.22 -0.79 1.87 0.00 -0.76 -3.23 119.26 118.36 3kbc h ALA 164 Ca 0.16 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.66 3kbc h ALA 164 Cb 0.68 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3kbc h ALA 164 CO -0.00 0.42 0.42 0.82 0.00 0.00 0.00 179.25 180.92 3kbc h ILE 165 N 0.19 0.85 -0.24 0.00 2.04 0.60 -2.34 117.51 118.60 3kbc h ILE 165 Ca -0.03 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3kbc h ILE 165 Cb 1.17 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3kbc h ILE 165 CO 0.11 0.13 -0.21 0.71 0.00 0.00 0.00 178.15 178.89 3kbc h THR 166 N 0.69 0.45 0.00 -0.27 1.35 -1.50 -0.61 112.91 113.03 3kbc h THR 166 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 3kbc h THR 166 Cb 0.43 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3kbc h THR 166 CO -0.28 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 173.77 3kbc n TYR 167 N -5.36 0.66 0.09 4.73 4.02 -0.89 -0.21 117.16 120.20 3kbc n TYR 167 Ca -0.01 0.34 0.01 0.00 -0.01 0.00 0.00 57.90 58.24 3kbc n TYR 167 Cb 0.27 -1.05 -0.03 0.00 -0.02 0.00 0.00 39.34 38.51 3kbc n TYR 167 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3kbc h LEU 168 N 0.00 0.00 -0.45 7.72 3.38 -1.04 -3.19 115.31 121.73 3kbc h LEU 168 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kbc h LEU 168 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kbc h LEU 168 CO 0.00 0.55 0.00 0.23 0.09 0.00 0.00 178.44 179.31 3kbc n MET 169 N -3.08 0.21 -0.01 1.13 2.81 0.70 -1.98 117.12 116.90 3kbc n MET 169 Ca -0.03 0.34 0.12 0.00 -1.81 0.00 0.00 57.70 56.32 3kbc n MET 169 Cb 0.79 -1.83 0.10 0.00 -0.71 0.00 0.00 33.22 31.57 3kbc n MET 169 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kbc n ASN 170 N -2.21 3.01 -4.71 7.83 4.13 -1.20 -4.89 115.26 117.23 3kbc n ASN 170 Ca 0.03 -1.99 -0.42 0.00 1.68 0.00 0.00 54.58 53.88 3kbc n ASN 170 Cb 0.29 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.49 3kbc n ASN 170 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kbc s SER 171 N -1.96 6.49 0.20 6.41 0.15 -0.84 -4.90 113.70 119.25 3kbc s SER 171 Ca 0.28 2.70 -0.15 0.00 0.70 0.00 0.00 55.95 59.49 3kbc s SER 171 Cb 0.20 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 3kbc s SER 171 CO 0.30 -0.93 1.64 -0.33 1.20 0.00 0.00 173.24 175.12 3kbc h GLU 172 N 7.58 -0.01 -6.72 5.44 4.39 -1.93 -3.41 114.58 119.92 3kbc h GLU 172 Ca -0.44 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 3kbc h GLU 172 Cb 1.21 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.96 3kbc h GLU 172 CO 0.94 -0.01 0.53 -1.71 -1.16 0.00 0.00 179.01 177.60 3kbc n ASN 173 N -5.40 2.78 0.07 1.42 5.15 -1.26 -4.93 115.26 113.09 3kbc n ASN 173 Ca 0.06 1.20 -0.16 0.00 -0.60 0.00 0.00 54.58 55.07 3kbc n ASN 173 Cb 0.30 -1.48 -0.14 0.00 -0.53 0.00 0.00 39.78 37.93 3kbc n ASN 173 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3kbc h GLU 174 N 2.89 0.24 -0.17 1.20 4.57 -1.98 -2.57 114.58 118.75 3kbc h GLU 174 Ca -0.46 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.32 3kbc h GLU 174 Cb 1.28 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 3kbc h GLU 174 CO 0.65 1.11 0.11 -0.22 -1.18 0.00 0.00 179.01 179.48 3kbc h LYS 175 N 0.06 0.23 0.66 1.92 3.64 -1.95 0.74 116.57 121.87 3kbc h LYS 175 Ca -0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3kbc h LYS 175 Cb 2.00 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.78 3kbc h LYS 175 CO 0.17 0.15 -0.32 0.28 -2.27 0.00 0.00 179.45 177.46 3kbc h VAL 176 N 0.23 0.34 -0.93 2.00 2.07 -1.92 0.38 116.25 118.43 3kbc h VAL 176 Ca 0.06 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.78 3kbc h VAL 176 Cb -0.02 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 3kbc h VAL 176 CO -0.02 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.22 3kbc h ARG 177 N -0.90 0.43 0.05 1.57 -0.00 -1.16 -1.65 114.38 112.71 3kbc h ARG 177 Ca -0.09 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.98 59.18 3kbc h ARG 177 Cb 0.69 -0.10 0.02 0.00 0.00 0.00 0.00 29.97 30.58 3kbc h ARG 177 CO 0.15 0.29 -0.76 -0.22 0.00 0.00 0.00 179.97 179.43 3kbc h LYS 178 N 0.45 0.43 0.16 0.04 3.11 0.11 -3.14 116.57 117.72 3kbc h LYS 178 Ca 0.50 -0.53 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 3kbc h LYS 178 Cb 1.19 0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 32.55 3kbc h LYS 178 CO -0.21 1.18 -0.26 0.77 -2.81 0.00 0.00 179.45 178.13 3kbc h SER 179 N -0.08 -0.72 -0.78 4.20 0.02 0.64 -1.50 113.55 115.33 3kbc h SER 179 Ca -0.11 0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.10 3kbc h SER 179 Cb 1.49 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 64.18 3kbc h SER 179 CO 0.15 -0.35 0.24 0.00 -1.14 0.00 0.00 176.83 175.73 3kbc h ALA 180 N 0.23 1.09 -0.40 3.77 0.00 -1.50 -0.52 119.26 121.92 3kbc h ALA 180 Ca 0.02 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3kbc h ALA 180 Cb 0.49 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3kbc h ALA 180 CO -0.12 -0.32 0.04 1.05 0.00 0.00 0.00 179.25 179.89 3kbc h GLU 181 N 0.32 0.15 0.61 0.00 4.11 -1.24 0.51 114.58 119.03 3kbc h GLU 181 Ca 0.45 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.85 3kbc h GLU 181 Cb 0.79 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3kbc h GLU 181 CO -0.51 0.10 -0.29 1.79 0.07 0.00 0.00 179.01 180.17 3kbc h THR 182 N 0.16 0.00 -0.68 -1.06 1.35 -0.53 -0.35 112.91 111.80 3kbc h THR 182 Ca 0.20 -0.27 0.11 0.00 -0.55 0.00 0.00 66.41 65.90 3kbc h THR 182 Cb 0.26 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.56 3kbc h THR 182 CO -0.29 0.00 -0.36 0.25 -0.25 0.00 0.00 175.52 174.87 3kbc h LEU 183 N -1.08 -1.27 -1.82 3.87 6.46 -1.20 1.49 115.31 121.76 3kbc h LEU 183 Ca -0.08 0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 3kbc h LEU 183 Cb 0.62 0.63 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3kbc h LEU 183 CO 0.14 -0.30 0.24 0.25 -0.62 0.00 0.00 178.44 178.14 3kbc h LEU 184 N -0.13 0.20 -0.18 2.25 5.85 -0.92 -0.65 115.31 121.72 3kbc h LEU 184 Ca 0.25 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3kbc h LEU 184 Cb 0.56 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kbc h LEU 184 CO -0.75 0.13 -0.12 -0.78 -0.34 0.00 0.00 178.44 176.58 3kbc h ASP 185 N 0.22 0.42 0.45 1.25 -0.00 0.36 -2.42 116.42 116.70 3kbc h ASP 185 Ca 0.16 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.03 56.73 3kbc h ASP 185 Cb 0.34 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3kbc h ASP 185 CO -0.03 0.76 -0.22 0.00 -0.00 0.00 0.00 179.24 179.76 3kbc h ALA 186 N 0.67 -0.61 -0.30 -0.78 0.00 0.15 -2.95 119.26 115.45 3kbc h ALA 186 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 186 Cb 0.62 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3kbc h ALA 186 CO 0.03 -0.82 -0.39 0.82 0.00 0.00 0.00 179.25 178.90 3kbc h ILE 187 N -0.66 0.00 -3.84 0.00 2.04 -1.25 -2.80 117.51 111.01 3kbc h ILE 187 Ca -0.06 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.26 3kbc h ILE 187 Cb 0.49 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 36.66 3kbc h ILE 187 CO 0.10 0.00 0.76 0.21 0.00 0.00 0.00 178.15 179.22 3kbc s ASN 188 N -4.35 6.45 0.00 1.72 2.47 -0.91 0.80 114.94 121.12 3kbc s ASN 188 Ca -0.10 2.95 0.00 0.00 0.42 0.00 0.00 52.86 56.13 3kbc s ASN 188 Cb 0.06 -2.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3kbc s ASN 188 CO 0.43 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 3kbc n GLY 189 N 0.80 3.27 0.17 1.21 0.00 -1.24 -4.68 105.19 104.72 3kbc n GLY 189 Ca 0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3kbc n GLY 189 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbc h LEU 190 N 0.00 0.49 -0.06 0.99 5.85 0.68 1.81 115.31 125.07 3kbc h LEU 190 Ca 0.00 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 3kbc h LEU 190 Cb 0.00 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kbc h LEU 190 CO 0.00 0.58 -0.52 0.00 -0.34 0.00 0.00 178.44 178.16 3kbc h ALA 191 N 0.93 0.14 -0.13 1.25 0.00 -1.76 -1.36 119.26 118.34 3kbc h ALA 191 Ca 0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3kbc h ALA 191 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kbc h ALA 191 CO -0.00 0.35 -0.05 1.49 0.00 0.00 0.00 179.25 181.03 3kbc h GLU 192 N 0.00 0.18 -0.02 0.00 4.57 -1.77 -1.96 114.58 115.58 3kbc h GLU 192 Ca -0.05 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.90 3kbc h GLU 192 Cb 1.19 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3kbc h GLU 192 CO 0.11 0.25 -0.85 0.00 -1.18 0.00 0.00 179.01 177.34 3kbc h ALA 193 N 1.77 0.51 0.00 2.92 0.00 0.29 -3.04 119.26 121.71 3kbc h ALA 193 Ca 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3kbc h ALA 193 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kbc h ALA 193 CO 0.01 0.84 -0.03 0.52 0.00 0.00 0.00 179.25 180.59 3kbc h MET 194 N 0.18 0.00 -0.02 0.00 2.86 -0.46 -1.57 114.93 115.93 3kbc h MET 194 Ca -0.05 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.34 3kbc h MET 194 Cb 1.46 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.14 3kbc h MET 194 CO 0.14 0.03 -0.97 1.88 1.06 0.00 0.00 176.91 179.05 3kbc h TYR 195 N 0.00 1.00 -1.00 -0.22 0.05 -1.39 -2.23 116.97 113.18 3kbc h TYR 195 Ca -0.00 -0.54 0.18 0.00 0.05 0.00 0.00 58.73 58.42 3kbc h TYR 195 Cb 0.17 -0.12 -0.10 0.00 1.01 0.00 0.00 36.73 37.69 3kbc h TYR 195 CO 0.00 1.37 0.62 0.87 -1.05 0.00 0.00 178.16 179.97 3kbc h LYS 196 N 0.35 0.77 -0.60 4.88 1.79 -1.35 0.60 116.57 123.01 3kbc h LYS 196 Ca -0.12 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 3kbc h LYS 196 Cb 1.62 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 3kbc h LYS 196 CO 0.19 0.51 0.12 0.82 -1.08 0.00 0.00 179.45 180.01 3kbc h ILE 197 N 0.79 1.26 0.29 1.86 2.04 -1.36 0.62 117.51 123.01 3kbc h ILE 197 Ca 0.57 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3kbc h ILE 197 Cb 0.84 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3kbc h ILE 197 CO -0.36 0.36 -0.14 0.58 0.00 0.00 0.00 178.15 178.59 3kbc h VAL 198 N 0.89 0.74 -0.81 1.67 2.07 0.62 0.69 116.25 122.11 3kbc h VAL 198 Ca 0.19 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.72 3kbc h VAL 198 Cb 0.40 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3kbc h VAL 198 CO 0.01 0.03 0.41 0.78 0.02 0.00 0.00 177.57 178.81 3kbc h ASN 199 N -0.44 0.50 0.31 0.57 4.21 -0.33 0.54 115.58 120.92 3kbc h ASN 199 Ca -0.04 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 3kbc h ASN 199 Cb 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 3kbc h ASN 199 CO 0.06 0.23 -0.15 1.23 -1.29 0.00 0.00 177.43 177.52 3kbc h GLY 200 N 0.61 -0.43 0.33 2.83 0.00 -0.17 -2.68 103.07 103.56 3kbc h GLY 200 Ca 0.43 0.16 0.12 0.00 0.00 0.00 0.00 47.33 48.03 3kbc h GLY 200 CO -0.34 -0.16 0.35 -2.08 0.00 0.00 0.00 176.54 174.32 3kbc h VAL 201 N -0.54 0.77 0.00 4.60 2.07 0.16 0.36 116.25 123.67 3kbc h VAL 201 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3kbc h VAL 201 Cb 0.40 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kbc h VAL 201 CO 0.07 0.10 0.01 0.23 0.02 0.00 0.00 177.57 178.00 3kbc n MET 202 N -4.91 0.08 0.14 1.57 2.00 0.18 0.83 117.12 117.01 3kbc n MET 202 Ca 0.13 0.58 0.13 0.00 0.00 0.00 0.00 57.70 58.53 3kbc n MET 202 Cb 0.34 -1.78 0.33 0.00 0.00 0.00 0.00 33.22 32.11 3kbc n MET 202 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3kbc h GLN 203 N 0.00 0.00 0.00 0.03 5.75 -0.02 -2.64 115.11 118.23 3kbc h GLN 203 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kbc h GLN 203 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3kbc h GLN 203 CO 0.00 0.00 -1.08 0.98 -2.65 0.00 0.00 178.83 176.08 3kbc n TYR 204 N -2.52 0.05 -0.28 3.99 9.36 0.24 -4.44 117.16 123.58 3kbc n TYR 204 Ca 0.05 0.02 0.07 0.00 3.32 0.00 0.00 57.90 61.36 3kbc n TYR 204 Cb 0.46 -0.19 0.18 0.00 -0.63 0.00 0.00 39.34 39.17 3kbc n TYR 204 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kbc h ALA 205 N 2.77 0.85 -0.48 2.98 0.00 -1.03 -0.73 119.26 123.63 3kbc h ALA 205 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3kbc h ALA 205 Cb 0.62 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3kbc h ALA 205 CO 0.00 -0.44 -0.10 -1.00 0.00 0.00 0.00 179.25 177.70 3kbc h PRO 206 N 0.09 0.01 0.15 0.00 0.13 -1.77 0.46 132.00 131.07 3kbc h PRO 206 Ca 0.45 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.57 3kbc h PRO 206 Cb 0.82 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3kbc h PRO 206 CO -0.73 0.01 -0.07 0.82 -0.23 0.00 0.00 178.00 177.80 3kbc h ILE 207 N 0.01 0.99 -0.14 -3.56 2.04 -1.50 -2.52 117.51 112.83 3kbc h ILE 207 Ca 0.23 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3kbc h ILE 207 Cb 0.35 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3kbc h ILE 207 CO -0.48 0.17 -0.20 1.23 0.00 0.00 0.00 178.15 178.87 3kbc h GLY 208 N -0.56 -0.15 0.67 5.37 0.00 -0.81 -1.91 103.07 105.67 3kbc h GLY 208 Ca -0.02 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.62 3kbc h GLY 208 CO 0.03 -0.18 0.49 -2.08 0.00 0.00 0.00 176.54 174.81 3kbc h VAL 209 N -0.24 1.00 -0.70 4.60 2.07 -0.15 -0.17 116.25 122.66 3kbc h VAL 209 Ca 0.10 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3kbc h VAL 209 Cb 0.39 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3kbc h VAL 209 CO -0.28 0.16 0.46 0.15 0.02 0.00 0.00 177.57 178.08 3kbc h PHE 210 N 0.88 0.74 0.14 1.57 3.04 -0.91 -2.29 116.94 120.12 3kbc h PHE 210 Ca 0.37 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.33 3kbc h PHE 210 Cb 0.22 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.48 3kbc h PHE 210 CO -0.05 0.40 -0.07 0.00 -2.02 0.00 0.00 178.31 176.58 3kbc h ALA 211 N 1.62 -0.19 -0.73 2.41 0.00 -0.42 -2.55 119.26 119.38 3kbc h ALA 211 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kbc h ALA 211 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kbc h ALA 211 CO -0.09 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.18 3kbc n LEU 212 N -4.89 0.00 0.08 0.00 4.77 -0.22 -1.01 117.00 115.72 3kbc n LEU 212 Ca -0.07 0.88 0.17 0.00 -0.03 0.00 0.00 56.01 56.96 3kbc n LEU 212 Cb 0.26 -0.38 0.69 0.00 -2.33 0.00 0.00 43.42 41.67 3kbc n LEU 212 CO 0.24 -0.38 1.15 0.16 -1.33 0.00 0.00 177.39 177.24 3kbc h ILE 213 N 0.00 0.76 -0.26 -0.08 -0.00 -1.60 -0.10 117.51 116.23 3kbc h ILE 213 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.87 3kbc h ILE 213 Cb 0.00 0.80 -0.02 0.00 -0.00 0.00 0.00 36.82 37.61 3kbc h ILE 213 CO 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 178.15 178.31 3kbc h ALA 214 N 1.79 0.33 0.10 0.16 0.00 -0.91 -1.78 119.26 118.95 3kbc h ALA 214 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kbc h ALA 214 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kbc h ALA 214 CO -0.00 -0.22 -0.05 -0.92 0.00 0.00 0.00 179.25 178.06 3kbc h TYR 215 N 0.33 -0.13 0.00 0.00 3.20 0.66 -2.45 116.97 118.57 3kbc h TYR 215 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3kbc h TYR 215 Cb -0.02 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3kbc h TYR 215 CO -0.07 0.18 0.17 0.28 -1.64 0.00 0.00 178.16 177.09 3kbc h VAL 216 N -0.45 0.00 0.02 1.81 2.07 -1.03 -0.47 116.25 118.21 3kbc h VAL 216 Ca -0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.19 3kbc h VAL 216 Cb 0.37 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3kbc h VAL 216 CO 0.02 0.00 -1.82 0.23 0.02 0.00 0.00 177.57 176.02 3kbc n MET 217 N -2.83 0.66 0.01 1.57 2.81 -0.68 -3.90 117.12 114.76 3kbc n MET 217 Ca -0.02 0.27 -0.03 0.00 -1.81 0.00 0.00 57.70 56.11 3kbc n MET 217 Cb 0.22 -1.76 0.22 0.00 -0.71 0.00 0.00 33.22 31.20 3kbc n MET 217 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbc h ALA 218 N 0.82 1.17 -2.08 3.04 0.00 -0.63 -3.37 119.26 118.20 3kbc h ALA 218 Ca -0.33 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.68 3kbc h ALA 218 Cb 2.03 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 3kbc h ALA 218 CO 0.07 0.53 -0.66 -1.21 0.00 0.00 0.00 179.25 177.98 3kbc s GLU 219 N -4.62 2.04 0.00 0.00 2.02 -0.78 -4.53 118.70 112.83 3kbc s GLU 219 Ca -0.07 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.26 3kbc s GLU 219 Cb 0.14 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.42 3kbc s GLU 219 CO 0.78 0.26 0.00 1.04 0.02 0.00 0.00 175.26 177.36 3kbc n GLN 220 N -0.85 0.00 0.00 1.61 1.13 -1.26 -4.61 117.38 113.40 3kbc n GLN 220 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3kbc n GLN 220 Cb 0.61 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 28.46 3kbc n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbc n GLY 221 N -2.00 3.40 0.00 1.08 0.00 -1.26 -2.90 105.19 103.52 3kbc n GLY 221 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kbc n GLY 221 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kbc n VAL 222 N 0.00 0.00 -0.14 1.61 0.31 -1.26 -4.52 118.33 114.33 3kbc n VAL 222 Ca 0.00 -0.24 0.28 0.00 -0.01 0.00 0.00 64.34 64.37 3kbc n VAL 222 Cb 0.00 0.69 0.71 0.00 -0.91 0.00 0.00 33.84 34.33 3kbc n VAL 222 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3kbc h HIS 223 N 0.00 0.00 -0.48 3.52 3.86 -1.93 0.44 115.15 120.56 3kbc h HIS 223 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3kbc h HIS 223 Cb 0.40 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3kbc h HIS 223 CO 0.00 0.00 0.05 -0.39 0.86 0.00 0.00 177.93 178.45 3kbc h VAL 224 N 0.00 1.23 -0.95 2.45 -1.51 -1.79 -2.51 116.25 113.16 3kbc h VAL 224 Ca 0.40 -0.89 0.11 0.00 -1.23 0.00 0.00 66.70 65.09 3kbc h VAL 224 Cb 1.83 0.80 -0.07 0.00 -2.13 0.00 0.00 31.29 31.71 3kbc h VAL 224 CO -0.00 0.32 0.61 0.58 -1.23 0.00 0.00 177.57 177.84 3kbc h VAL 225 N 0.73 0.94 0.15 7.19 2.07 -1.23 0.72 116.25 126.82 3kbc h VAL 225 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3kbc h VAL 225 Cb 0.37 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3kbc h VAL 225 CO 0.01 0.17 -0.07 1.23 0.02 0.00 0.00 177.57 178.93 3kbc h GLY 226 N 0.94 -0.20 0.98 2.17 0.00 -1.55 -1.23 103.07 104.17 3kbc h GLY 226 Ca 0.46 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3kbc h GLY 226 CO -0.22 -0.07 0.22 0.83 0.00 0.00 0.00 176.54 177.30 3kbc h GLU 227 N -0.37 0.79 -0.16 4.80 4.39 -1.11 0.71 114.58 123.63 3kbc h GLU 227 Ca -0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3kbc h GLU 227 Cb 0.30 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3kbc h GLU 227 CO 0.03 0.69 0.10 -0.07 -1.16 0.00 0.00 179.01 178.60 3kbc h LEU 228 N 0.72 0.17 -0.31 1.33 3.38 0.47 0.70 115.31 121.77 3kbc h LEU 228 Ca 0.18 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3kbc h LEU 228 Cb 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kbc h LEU 228 CO -0.02 0.12 -0.47 0.00 0.09 0.00 0.00 178.44 178.17 3kbc h ALA 229 N 1.06 0.47 0.00 1.53 0.00 -1.12 -1.74 119.26 119.46 3kbc h ALA 229 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kbc h ALA 229 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kbc h ALA 229 CO -0.02 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 179.64 3kbc h LYS 230 N 0.64 0.00 0.00 0.00 3.11 0.77 -0.60 116.57 120.49 3kbc h LYS 230 Ca 0.03 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.76 3kbc h LYS 230 Cb 1.07 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 3kbc h LYS 230 CO 0.11 0.00 -0.60 0.28 -2.81 0.00 0.00 179.45 176.42 3kbc h VAL 231 N 0.00 1.14 -0.74 2.00 2.07 -0.23 -3.21 116.25 117.28 3kbc h VAL 231 Ca 0.00 -2.08 0.15 0.00 0.82 0.00 0.00 66.70 65.60 3kbc h VAL 231 Cb 0.06 2.37 -0.10 0.00 -1.52 0.00 0.00 31.29 32.10 3kbc h VAL 231 CO 0.00 0.39 0.24 0.74 0.02 0.00 0.00 177.57 178.95 3kbc h THR 232 N -1.00 0.58 0.06 2.57 2.02 -0.43 -0.12 112.91 116.59 3kbc h THR 232 Ca -0.16 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3kbc h THR 232 Cb 1.03 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3kbc h THR 232 CO -0.10 0.06 -0.37 0.00 0.37 0.00 0.00 175.52 175.49 3kbc h ALA 233 N 1.58 -0.61 -1.00 6.16 0.00 -1.28 -0.36 119.26 123.76 3kbc h ALA 233 Ca 0.41 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.52 3kbc h ALA 233 Cb 0.68 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3kbc h ALA 233 CO -0.46 -0.91 0.64 0.00 0.00 0.00 0.00 179.25 178.52 3kbc h ALA 234 N 0.04 2.14 -1.96 0.00 0.00 -1.06 -0.20 119.26 118.22 3kbc h ALA 234 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kbc h ALA 234 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kbc h ALA 234 CO -0.26 -0.52 0.00 0.28 0.00 0.00 0.00 179.25 178.76 3kbc n VAL 235 N -4.62 0.00 -0.19 0.00 0.31 -0.26 -3.12 118.33 110.44 3kbc n VAL 235 Ca 0.24 0.73 -0.06 0.00 -0.01 0.00 0.00 64.34 65.24 3kbc n VAL 235 Cb 0.79 -1.44 -0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3kbc n VAL 235 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3kbc h TYR 236 N 0.00 -0.95 0.00 3.52 -1.99 -1.11 1.70 116.97 118.14 3kbc h TYR 236 Ca 0.00 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3kbc h TYR 236 Cb 0.00 0.50 0.00 0.00 2.00 0.00 0.00 36.73 39.23 3kbc h TYR 236 CO 0.04 -0.39 0.06 1.33 -0.00 0.00 0.00 178.16 179.21 3kbc n VAL 237 N -5.43 1.11 -0.12 -2.88 0.24 -0.10 0.51 118.33 111.66 3kbc n VAL 237 Ca 0.04 0.34 -0.18 0.00 -2.04 0.00 0.00 64.34 62.50 3kbc n VAL 237 Cb 0.35 -1.34 -0.11 0.00 -1.47 0.00 0.00 33.84 31.27 3kbc n VAL 237 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbc n GLY 238 N -1.25 -0.35 0.19 7.63 0.00 0.54 -3.80 105.19 108.16 3kbc n GLY 238 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3kbc n GLY 238 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kbc h LEU 239 N -0.04 0.60 -1.15 0.99 3.38 0.40 -0.76 115.31 118.73 3kbc h LEU 239 Ca -0.56 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 56.98 3kbc h LEU 239 Cb 1.85 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3kbc h LEU 239 CO -0.10 0.81 -0.33 0.71 0.09 0.00 0.00 178.44 179.61 3kbc h THR 240 N 0.38 1.27 -0.40 0.22 1.35 -0.97 -2.05 112.91 112.70 3kbc h THR 240 Ca 0.08 -1.28 -0.15 0.00 -0.55 0.00 0.00 66.41 64.52 3kbc h THR 240 Cb 0.53 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3kbc h THR 240 CO 0.03 0.38 -0.32 0.25 -0.25 0.00 0.00 175.52 175.60 3kbc h LEU 241 N 0.14 0.96 -0.03 3.87 6.46 -1.61 -1.03 115.31 124.07 3kbc h LEU 241 Ca 0.02 -0.41 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 3kbc h LEU 241 Cb 0.66 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 3kbc h LEU 241 CO 0.05 1.19 -0.45 -0.61 -0.62 0.00 0.00 178.44 178.01 3kbc h GLN 242 N 0.76 -0.56 0.78 1.25 5.75 -0.44 0.78 115.11 123.44 3kbc h GLN 242 Ca 0.08 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3kbc h GLN 242 Cb 0.90 0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.58 3kbc h GLN 242 CO 0.08 -0.37 -0.39 0.82 -2.65 0.00 0.00 178.83 176.33 3kbc h ILE 243 N -0.58 0.21 -0.49 2.39 2.04 -1.38 0.31 117.51 120.02 3kbc h ILE 243 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3kbc h ILE 243 Cb 0.66 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3kbc h ILE 243 CO -0.35 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.04 3kbc h LEU 244 N -1.06 0.51 0.00 1.44 3.38 -1.01 0.26 115.31 118.82 3kbc h LEU 244 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kbc h LEU 244 Cb 0.82 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kbc h LEU 244 CO 0.17 0.36 -0.70 0.25 0.09 0.00 0.00 178.44 178.61 3kbc h LEU 245 N 0.61 0.00 0.00 1.67 6.46 0.55 -3.30 115.31 121.29 3kbc h LEU 245 Ca 0.19 -0.18 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 3kbc h LEU 245 Cb -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3kbc h LEU 245 CO -0.07 0.09 -1.12 0.52 -0.62 0.00 0.00 178.44 177.24 3kbc n VAL 246 N -2.22 1.08 0.00 1.05 0.31 0.11 -4.49 118.33 114.16 3kbc n VAL 246 Ca 0.03 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3kbc n VAL 246 Cb 0.46 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3kbc n VAL 246 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3kbc n TYR 247 N -3.81 0.00 -0.38 3.52 4.01 0.78 -1.85 117.16 119.43 3kbc n TYR 247 Ca -0.17 0.00 0.30 0.00 -0.16 0.00 0.00 57.90 57.87 3kbc n TYR 247 Cb 0.47 -0.19 0.57 0.00 -0.31 0.00 0.00 39.34 39.88 3kbc n TYR 247 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3kbc h PHE 248 N 0.00 0.69 -0.38 -0.72 -1.00 -1.37 0.57 116.94 114.73 3kbc h PHE 248 Ca 0.00 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.72 3kbc h PHE 248 Cb 0.00 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 3kbc h PHE 248 CO 0.05 -0.18 -0.13 0.28 -1.61 0.00 0.00 178.31 176.73 3kbc h VAL 249 N 0.20 1.25 -0.56 -0.55 2.07 -1.64 -1.84 116.25 115.18 3kbc h VAL 249 Ca 0.76 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kbc h VAL 249 Cb 2.11 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3kbc h VAL 249 CO -0.49 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.48 3kbc n LEU 250 N -4.17 3.08 -0.08 2.57 -0.00 0.18 -3.33 117.00 115.25 3kbc n LEU 250 Ca 0.01 -1.52 -0.09 0.00 -0.00 0.00 0.00 56.01 54.40 3kbc n LEU 250 Cb 0.36 -0.37 -0.11 0.00 -0.00 0.00 0.00 43.42 43.30 3kbc n LEU 250 CO 0.42 0.76 -1.03 0.18 -0.00 0.00 0.00 177.39 177.72 3kbc n LEU 251 N 1.19 1.02 0.05 1.47 4.77 -0.08 -4.03 117.00 121.39 3kbc n LEU 251 Ca 0.19 -0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 3kbc n LEU 251 Cb 0.49 0.01 0.36 0.00 -2.33 0.00 0.00 43.42 41.96 3kbc n LEU 251 CO 0.13 0.52 0.68 1.17 -1.33 0.00 0.00 177.39 178.56 3kbc n LYS 252 N -2.72 0.17 0.22 3.23 0.00 -0.73 -0.07 118.16 118.26 3kbc n LYS 252 Ca -0.28 0.09 0.12 0.00 0.00 0.00 0.00 58.31 58.25 3kbc n LYS 252 Cb 0.94 -1.65 0.28 0.00 0.00 0.00 0.00 35.03 34.60 3kbc n LYS 252 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3kbc h ILE 253 N 0.00 0.11 -0.12 3.15 6.09 -1.71 -3.26 117.51 121.77 3kbc h ILE 253 Ca 0.00 -1.02 -0.07 0.00 -1.37 0.00 0.00 64.86 62.41 3kbc h ILE 253 Cb 0.65 1.93 -0.04 0.00 0.47 0.00 0.00 36.82 39.82 3kbc h ILE 253 CO 0.00 0.06 -0.38 -1.22 -3.07 0.00 0.00 178.15 173.54 3kbc n TYR 254 N -3.12 0.39 -3.75 2.19 4.01 -1.11 -4.98 117.16 110.79 3kbc n TYR 254 Ca 0.03 -1.55 -0.29 0.00 -0.16 0.00 0.00 57.90 55.93 3kbc n TYR 254 Cb 0.50 -0.33 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 3kbc n TYR 254 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbc n GLY 255 N -1.12 -0.49 3.37 2.72 0.00 -1.19 -4.97 105.19 103.51 3kbc n GLY 255 Ca 0.24 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 3kbc n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbc s ILE 256 N -3.21 3.44 -0.52 -0.61 -1.09 0.90 -5.02 121.20 115.09 3kbc s ILE 256 Ca 0.59 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 58.24 3kbc s ILE 256 Cb -0.30 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3kbc s ILE 256 CO 0.73 0.46 1.70 -0.62 -1.23 0.00 0.00 174.94 175.98 3kbc s ASP 257 N 0.95 5.71 0.07 3.58 3.68 -1.26 -3.98 116.67 125.42 3kbc s ASP 257 Ca -0.01 0.58 -0.30 0.00 2.13 0.00 0.00 52.55 54.96 3kbc s ASP 257 Cb -0.15 -2.53 -0.18 0.00 -1.45 0.00 0.00 42.92 38.61 3kbc s ASP 257 CO 0.01 -1.99 1.64 1.55 0.13 0.00 0.00 175.17 176.51 3kbc h PRO 258 N 13.17 -0.61 0.00 4.34 0.13 -1.93 0.44 132.00 147.54 3kbc h PRO 258 Ca -0.28 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3kbc h PRO 258 Cb 1.14 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kbc h PRO 258 CO 1.15 -0.40 0.00 -0.89 -0.23 0.00 0.00 178.00 177.64 3kbc n ILE 259 N -5.36 0.00 -0.33 -3.56 5.41 -1.26 -0.86 119.36 113.41 3kbc n ILE 259 Ca -0.12 1.45 0.11 0.00 1.00 0.00 0.00 62.75 65.19 3kbc n ILE 259 Cb 0.27 -2.06 0.32 0.00 -0.71 0.00 0.00 39.64 37.46 3kbc n ILE 259 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kbc h SER 260 N 0.00 0.78 -0.46 4.38 4.64 -1.99 -2.33 113.55 118.57 3kbc h SER 260 Ca 0.00 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3kbc h SER 260 Cb 0.00 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 61.93 3kbc h SER 260 CO 0.00 0.36 -0.43 0.15 -0.87 0.00 0.00 176.83 176.04 3kbc h PHE 261 N 0.80 -1.34 -0.07 4.77 3.57 0.11 0.19 116.94 124.98 3kbc h PHE 261 Ca 0.51 0.07 0.02 0.00 3.53 0.00 0.00 57.97 62.10 3kbc h PHE 261 Cb 0.73 0.64 -0.00 0.00 2.79 0.00 0.00 35.95 40.11 3kbc h PHE 261 CO -0.00 -0.34 0.11 0.82 -2.23 0.00 0.00 178.31 176.67 3kbc h ILE 262 N -0.20 0.33 0.00 1.41 1.08 -0.59 -0.87 117.51 118.67 3kbc h ILE 262 Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3kbc h ILE 262 Cb 0.40 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3kbc h ILE 262 CO -0.54 0.00 -0.27 0.50 -0.69 0.00 0.00 178.15 177.15 3kbc h LYS 263 N 0.00 0.00 0.16 2.37 1.63 -0.48 -0.16 116.57 120.09 3kbc h LYS 263 Ca 0.03 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.50 3kbc h LYS 263 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3kbc h LYS 263 CO -0.00 0.27 -1.67 0.45 -3.45 0.00 0.00 179.45 175.05 3kbc h HIS 264 N 0.00 0.62 0.00 1.91 3.86 -0.98 -3.24 115.15 117.32 3kbc h HIS 264 Ca -0.00 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3kbc h HIS 264 Cb 0.60 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3kbc h HIS 264 CO 0.00 1.65 0.00 0.00 0.86 0.00 0.00 177.93 180.44 3kbc n ALA 265 N -2.91 2.28 -0.30 2.45 0.00 -1.05 -3.53 120.51 117.45 3kbc n ALA 265 Ca -0.25 -0.13 0.21 0.00 0.00 0.00 0.00 53.44 53.26 3kbc n ALA 265 Cb 1.02 -1.37 0.49 0.00 0.00 0.00 0.00 19.45 19.60 3kbc n ALA 265 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kbc h LYS 266 N 0.00 0.42 0.13 0.00 3.64 -1.05 0.30 116.57 120.02 3kbc h LYS 266 Ca 0.00 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.03 3kbc h LYS 266 Cb 0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3kbc h LYS 266 CO 0.00 0.28 -1.66 -0.44 -2.27 0.00 0.00 179.45 175.36 3kbc h ASP 267 N 0.43 0.43 -0.04 4.20 3.32 -1.82 -3.08 116.42 119.86 3kbc h ASP 267 Ca 0.55 -0.66 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 3kbc h ASP 267 Cb 1.35 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3kbc h ASP 267 CO -0.26 1.56 -0.21 0.00 -1.72 0.00 0.00 179.24 178.61 3kbc h ALA 268 N 0.37 1.21 0.20 3.45 0.00 -1.42 -2.00 119.26 121.07 3kbc h ALA 268 Ca -0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3kbc h ALA 268 Cb 2.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3kbc h ALA 268 CO 0.15 0.51 -0.09 0.52 0.00 0.00 0.00 179.25 180.34 3kbc h MET 269 N 0.38 -0.25 -0.98 0.00 2.86 -0.58 -2.85 114.93 113.51 3kbc h MET 269 Ca 0.06 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.95 3kbc h MET 269 Cb 0.58 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 3kbc h MET 269 CO 0.04 -0.17 0.63 -0.07 1.06 0.00 0.00 176.91 178.41 3kbc h LEU 270 N -0.83 0.46 0.75 1.22 -0.00 -1.62 0.58 115.31 115.88 3kbc h LEU 270 Ca -0.03 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3kbc h LEU 270 Cb 0.20 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 3kbc h LEU 270 CO 0.04 0.15 -0.36 0.74 -0.00 0.00 0.00 178.44 179.01 3kbc h THR 271 N 0.44 0.00 -0.95 0.22 2.02 -1.45 -1.71 112.91 111.48 3kbc h THR 271 Ca 0.54 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.78 3kbc h THR 271 Cb 1.29 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3kbc h THR 271 CO -0.25 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.26 3kbc h ALA 272 N -1.52 1.50 -0.33 6.16 0.00 -1.01 -0.58 119.26 123.48 3kbc h ALA 272 Ca -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kbc h ALA 272 Cb 0.77 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kbc h ALA 272 CO 0.17 0.33 0.22 0.35 0.00 0.00 0.00 179.25 180.32 3kbc h PHE 273 N 1.05 0.41 0.04 0.00 3.57 0.29 0.29 116.94 122.59 3kbc h PHE 273 Ca 0.43 0.01 -0.34 0.00 3.53 0.00 0.00 57.97 61.60 3kbc h PHE 273 Cb 0.28 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3kbc h PHE 273 CO -0.00 0.26 -2.00 0.28 -2.23 0.00 0.00 178.31 174.62 3kbc n VAL 274 N -4.49 1.61 0.07 1.41 0.31 -0.66 -4.31 118.33 112.28 3kbc n VAL 274 Ca 0.02 -0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 63.51 3kbc n VAL 274 Cb 0.07 -1.19 -0.13 0.00 -0.91 0.00 0.00 33.84 31.69 3kbc n VAL 274 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3kbc h THR 275 N 0.02 1.62 0.00 2.52 1.35 -1.07 -3.47 112.91 113.88 3kbc h THR 275 Ca -0.40 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.15 3kbc h THR 275 Cb 2.05 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 71.33 3kbc h THR 275 CO 0.05 0.94 0.00 0.54 -0.25 0.00 0.00 175.52 176.80 3kbc n ARG 276 N -3.39 -0.87 -3.48 4.72 1.74 0.10 -4.82 116.66 110.66 3kbc n ARG 276 Ca -0.03 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 3kbc n ARG 276 Cb 0.97 -4.02 -0.04 0.00 -1.02 0.00 0.00 32.46 28.35 3kbc n ARG 276 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kbc n SER 277 N -0.44 4.74 -0.33 0.55 2.88 -1.26 -3.74 113.62 116.02 3kbc n SER 277 Ca 0.00 -3.17 0.23 0.00 -1.33 0.00 0.00 58.87 54.59 3kbc n SER 277 Cb 0.22 -1.12 0.43 0.00 -0.75 0.00 0.00 64.21 62.99 3kbc n SER 277 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3kbc h SER 278 N 5.90 -0.10 0.01 -3.46 0.87 -1.84 0.55 113.55 115.48 3kbc h SER 278 Ca 0.17 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3kbc h SER 278 Cb 0.78 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3kbc h SER 278 CO 0.95 -0.40 -0.01 -1.28 -0.53 0.00 0.00 176.83 175.57 3kbc h SER 279 N 0.01 -0.01 0.30 6.23 0.87 -1.70 -2.85 113.55 116.39 3kbc h SER 279 Ca 0.72 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3kbc h SER 279 Cb 1.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 3kbc h SER 279 CO -0.85 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.39 3kbc n GLY 280 N -0.16 -0.83 1.74 5.77 0.00 0.16 -1.76 105.19 110.11 3kbc n GLY 280 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 3kbc n GLY 280 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kbc n THR 281 N -1.64 2.87 0.03 2.61 -1.04 0.63 -4.55 114.28 113.19 3kbc n THR 281 Ca 0.02 -2.10 -0.19 0.00 -2.04 0.00 0.00 64.05 59.74 3kbc n THR 281 Cb 0.10 -0.38 -0.13 0.00 -1.82 0.00 0.00 70.33 68.10 3kbc n THR 281 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3kbc h LEU 282 N 1.48 0.53 -0.56 -4.42 5.85 -1.38 -3.00 115.31 113.80 3kbc h LEU 282 Ca 0.37 -0.85 0.05 0.00 0.84 0.00 0.00 57.88 58.29 3kbc h LEU 282 Cb 2.27 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 3kbc h LEU 282 CO 0.73 1.32 0.30 -0.65 -0.34 0.00 0.00 178.44 179.80 3kbc h PRO 283 N -0.20 0.55 0.00 5.25 0.11 -1.83 0.04 132.00 135.92 3kbc h PRO 283 Ca -0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kbc h PRO 283 Cb 1.50 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 3kbc h PRO 283 CO 0.14 0.37 -0.01 0.28 -0.21 0.00 0.00 178.00 178.57 3kbc h VAL 284 N 0.57 0.04 0.00 3.15 2.07 -1.88 -0.67 116.25 119.52 3kbc h VAL 284 Ca 0.24 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 3kbc h VAL 284 Cb 0.13 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kbc h VAL 284 CO -0.15 0.01 -0.96 0.74 0.02 0.00 0.00 177.57 177.23 3kbc h THR 285 N 0.00 1.19 0.03 2.57 2.02 -0.91 -3.24 112.91 114.56 3kbc h THR 285 Ca -0.00 -2.77 -0.30 0.00 0.77 0.00 0.00 66.41 64.12 3kbc h THR 285 Cb 0.48 2.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 3kbc h THR 285 CO 0.00 0.68 -1.66 0.24 0.37 0.00 0.00 175.52 175.14 3kbc h MET 286 N 0.00 0.06 -0.83 6.66 2.86 -0.63 -2.65 114.93 120.40 3kbc h MET 286 Ca -0.06 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3kbc h MET 286 Cb 1.64 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.29 3kbc h MET 286 CO 0.09 0.69 0.52 -0.09 1.06 0.00 0.00 176.91 179.19 3kbc h ARG 287 N 0.02 0.97 0.00 1.72 2.43 -1.25 0.59 114.38 118.86 3kbc h ARG 287 Ca -0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3kbc h ARG 287 Cb 1.99 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 3kbc h ARG 287 CO 0.09 0.64 0.00 0.28 -1.51 0.00 0.00 179.97 179.47 3kbc h VAL 288 N 1.00 0.00 0.37 0.20 2.07 -1.64 -3.08 116.25 115.17 3kbc h VAL 288 Ca 0.34 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kbc h VAL 288 Cb 0.06 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3kbc h VAL 288 CO -0.13 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.01 3kbc h ALA 289 N 2.06 -1.07 0.01 1.67 0.00 0.58 -3.14 119.26 119.36 3kbc h ALA 289 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kbc h ALA 289 Cb 0.66 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kbc h ALA 289 CO 0.00 -1.12 -0.00 0.87 0.00 0.00 0.00 179.25 179.00 3kbc h LYS 290 N -0.84 -0.01 0.00 0.00 1.57 -1.55 -2.94 116.57 112.80 3kbc h LYS 290 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kbc h LYS 290 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kbc h LYS 290 CO -0.10 -0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.17 3kbc n GLU 291 N -2.04 0.00 -1.43 3.15 1.02 -1.17 0.61 120.64 120.78 3kbc n GLU 291 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3kbc n GLU 291 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.51 3kbc n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kbc n MET 292 N -1.53 2.78 -3.87 3.49 0.00 -1.19 -4.94 117.12 111.87 3kbc n MET 292 Ca 0.00 -3.43 -0.26 0.00 0.00 0.00 0.00 57.70 54.01 3kbc n MET 292 Cb 0.00 -2.25 -0.00 0.00 0.00 0.00 0.00 33.22 30.97 3kbc n MET 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kbc n GLY 293 N -0.91 -0.38 3.75 3.17 0.00 2.61 -4.98 105.19 108.44 3kbc n GLY 293 Ca 0.57 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 46.44 3kbc n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbc s ILE 294 N -3.83 5.36 0.25 -0.61 1.01 -1.11 -5.00 121.20 117.26 3kbc s ILE 294 Ca 0.10 0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.82 3kbc s ILE 294 Cb -0.04 -3.55 -0.12 0.00 0.01 0.00 0.00 42.46 38.76 3kbc s ILE 294 CO 0.88 0.44 1.59 -0.24 0.00 0.00 0.00 174.94 177.61 3kbc n SER 295 N 3.31 3.60 -0.02 3.58 2.88 -1.26 -4.49 113.62 121.22 3kbc n SER 295 Ca -0.14 1.12 -0.14 0.00 -1.33 0.00 0.00 58.87 58.37 3kbc n SER 295 Cb 0.52 -1.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.35 3kbc n SER 295 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3kbc h GLU 296 N 5.31 -0.52 0.00 -1.46 4.57 -1.99 0.04 114.58 120.52 3kbc h GLU 296 Ca -0.45 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3kbc h GLU 296 Cb 1.23 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3kbc h GLU 296 CO 0.84 -0.35 0.04 0.41 -1.18 0.00 0.00 179.01 178.77 3kbc n GLY 297 N -1.41 -0.52 0.11 1.92 0.00 -1.26 -1.66 105.19 102.37 3kbc n GLY 297 Ca -0.06 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3kbc n GLY 297 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kbc n ILE 298 N -1.58 1.52 1.00 -0.61 -0.00 -0.04 -4.01 119.36 115.64 3kbc n ILE 298 Ca -0.00 -0.05 0.13 0.00 -0.00 0.00 0.00 62.75 62.83 3kbc n ILE 298 Cb 0.05 -2.06 0.50 0.00 -0.00 0.00 0.00 39.64 38.12 3kbc n ILE 298 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kbc n TYR 299 N -4.42 0.01 0.25 1.39 4.11 -0.98 -1.78 117.16 115.74 3kbc n TYR 299 Ca -0.33 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.71 3kbc n TYR 299 Cb 0.67 -0.42 0.32 0.00 -0.00 0.00 0.00 39.34 39.91 3kbc n TYR 299 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3kbc h SER 300 N 0.00 0.00 0.00 9.48 0.87 -1.51 -3.03 113.55 119.36 3kbc h SER 300 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 3kbc h SER 300 Cb 0.50 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 3kbc h SER 300 CO 0.00 0.00 -2.22 0.33 -0.53 0.00 0.00 176.83 174.41 3kbc n PHE 301 N -3.05 0.00 -0.04 2.24 7.35 -1.12 -4.61 117.46 118.22 3kbc n PHE 301 Ca 0.03 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.63 3kbc n PHE 301 Cb 0.46 -0.81 -0.08 0.00 0.35 0.00 0.00 39.48 39.41 3kbc n PHE 301 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3kbc h THR 302 N -0.34 1.02 -1.01 -2.13 1.35 -1.48 -3.24 112.91 107.08 3kbc h THR 302 Ca -0.51 -1.65 0.23 0.00 -0.55 0.00 0.00 66.41 63.93 3kbc h THR 302 Cb 1.63 1.88 -0.11 0.00 -1.73 0.00 0.00 68.15 69.82 3kbc h THR 302 CO -0.19 0.33 0.61 -0.07 -0.25 0.00 0.00 175.52 175.96 3kbc h LEU 303 N -0.97 0.67 -0.35 3.87 -0.00 -1.76 0.17 115.31 116.93 3kbc h LEU 303 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 3kbc h LEU 303 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3kbc h LEU 303 CO 0.01 0.16 0.00 1.55 -0.00 0.00 0.00 178.44 180.16 3kbc h PRO 304 N 0.61 0.00 0.14 1.13 0.13 -1.73 -2.96 132.00 129.32 3kbc h PRO 304 Ca 0.61 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.41 3kbc h PRO 304 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kbc h PRO 304 CO -0.40 0.00 -1.72 1.25 -0.23 0.00 0.00 178.00 176.89 3kbc h LEU 305 N 0.00 0.48 0.00 1.56 5.85 -0.83 -3.32 115.31 119.04 3kbc h LEU 305 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3kbc h LEU 305 Cb 0.85 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3kbc h LEU 305 CO 0.00 1.76 0.00 0.61 -0.34 0.00 0.00 178.44 180.47 3kbc n GLY 306 N 1.86 -0.84 0.12 3.75 0.00 0.30 -1.81 105.19 108.56 3kbc n GLY 306 Ca -0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 3kbc n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc h ALA 307 N 3.42 0.87 0.00 4.61 0.00 -1.62 -3.37 119.26 123.17 3kbc h ALA 307 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.06 3kbc h ALA 307 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3kbc h ALA 307 CO 0.00 0.85 -1.79 0.25 0.00 0.00 0.00 179.25 178.55 3kbc n THR 308 N -3.71 0.78 -2.41 0.00 -2.24 -1.15 -4.40 114.28 101.15 3kbc n THR 308 Ca -0.01 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 3kbc n THR 308 Cb 0.67 -1.55 0.06 0.00 -2.10 0.00 0.00 70.33 67.41 3kbc n THR 308 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kbc s ILE 309 N -2.26 2.42 -1.02 2.28 1.01 -0.75 -4.62 121.20 118.26 3kbc s ILE 309 Ca -0.20 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 3kbc s ILE 309 Cb 0.07 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.51 3kbc s ILE 309 CO 0.26 0.00 0.90 -3.20 0.00 0.00 0.00 174.94 172.90 3kbc n ASN 310 N -2.69 -6.75 -3.27 3.58 5.15 -1.26 -4.24 115.26 105.78 3kbc n ASN 310 Ca 0.09 -0.66 -0.34 0.00 -0.60 0.00 0.00 54.58 53.07 3kbc n ASN 310 Cb 0.60 -5.22 -0.01 0.00 -0.53 0.00 0.00 39.78 34.62 3kbc n ASN 310 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3kbc n MET 311 N -3.11 4.31 0.15 1.20 2.81 -1.26 -4.78 117.12 116.45 3kbc n MET 311 Ca -0.06 -4.74 0.09 0.00 -1.81 0.00 0.00 57.70 51.18 3kbc n MET 311 Cb 0.61 -2.35 0.47 0.00 -0.71 0.00 0.00 33.22 31.24 3kbc n MET 311 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3kbc n ASP 312 N -0.17 0.45 0.08 7.83 3.85 -1.26 -0.25 116.55 127.09 3kbc n ASP 312 Ca 0.39 0.67 -0.06 0.00 -0.71 0.00 0.00 54.79 55.09 3kbc n ASP 312 Cb 0.33 -0.70 -0.03 0.00 -1.35 0.00 0.00 41.12 39.36 3kbc n ASP 312 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3kbc h GLY 313 N 0.00 0.04 0.71 6.12 0.00 -1.82 -3.02 103.07 105.09 3kbc h GLY 313 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 47.33 46.98 3kbc h GLY 313 CO 0.00 0.07 -1.30 -0.84 0.00 0.00 0.00 176.54 174.47 3kbc h THR 314 N 0.02 1.18 -0.95 4.70 2.02 -0.90 -3.23 112.91 115.74 3kbc h THR 314 Ca -0.02 -2.48 0.21 0.00 0.77 0.00 0.00 66.41 64.89 3kbc h THR 314 Cb 1.58 2.89 -0.08 0.00 -1.74 0.00 0.00 68.15 70.80 3kbc h THR 314 CO 0.12 0.74 0.62 0.00 0.37 0.00 0.00 175.52 177.36 3kbc h ALA 315 N 0.03 2.10 -0.36 6.16 0.00 -1.35 0.71 119.26 126.56 3kbc h ALA 315 Ca -0.26 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3kbc h ALA 315 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3kbc h ALA 315 CO 0.12 -0.43 -0.39 1.25 0.00 0.00 0.00 179.25 179.80 3kbc h LEU 316 N 0.48 0.94 0.75 0.00 6.46 -1.63 -2.44 115.31 119.87 3kbc h LEU 316 Ca 0.51 -0.43 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3kbc h LEU 316 Cb 1.17 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 3kbc h LEU 316 CO -0.23 1.21 -0.48 0.22 -0.62 0.00 0.00 178.44 178.53 3kbc h TYR 317 N 0.72 -1.29 0.00 1.25 3.20 0.29 -2.07 116.97 119.06 3kbc h TYR 317 Ca 0.06 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3kbc h TYR 317 Cb 0.97 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.71 3kbc h TYR 317 CO 0.06 -0.72 -0.00 1.96 -1.64 0.00 0.00 178.16 177.82 3kbc h GLN 318 N -1.17 0.00 -0.01 1.82 4.20 -0.90 0.39 115.11 119.44 3kbc h GLN 318 Ca -0.10 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3kbc h GLN 318 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3kbc h GLN 318 CO 0.09 0.00 -0.24 0.78 -0.67 0.00 0.00 178.83 178.79 3kbc h GLY 319 N 0.17 0.21 1.32 3.46 0.00 -0.92 -2.89 103.07 104.42 3kbc h GLY 319 Ca -0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 47.33 46.73 3kbc h GLY 319 CO 0.00 0.30 -1.10 -2.08 0.00 0.00 0.00 176.54 173.66 3kbc h VAL 320 N -0.45 1.32 -0.53 4.60 2.07 -0.81 -3.28 116.25 119.17 3kbc h VAL 320 Ca -0.03 -2.41 0.10 0.00 0.82 0.00 0.00 66.70 65.18 3kbc h VAL 320 Cb 0.96 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 33.18 3kbc h VAL 320 CO 0.05 0.73 0.08 0.00 0.02 0.00 0.00 177.57 178.45 3kbc h ALA 321 N 0.46 0.58 0.23 1.67 0.00 -0.33 -1.36 119.26 120.50 3kbc h ALA 321 Ca -0.14 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kbc h ALA 321 Cb 1.76 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3kbc h ALA 321 CO 0.21 -0.33 -0.40 1.15 0.00 0.00 0.00 179.25 179.88 3kbc h THR 322 N 0.21 0.20 -0.10 0.00 2.02 -1.56 -1.21 112.91 112.47 3kbc h THR 322 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.48 3kbc h THR 322 Cb 0.39 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3kbc h THR 322 CO -0.38 0.00 0.16 -0.26 0.37 0.00 0.00 175.52 175.41 3kbc h PHE 323 N -0.70 0.00 0.20 3.16 -1.00 -1.44 -0.38 116.94 116.78 3kbc h PHE 323 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3kbc h PHE 323 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 3kbc h PHE 323 CO -0.30 0.00 -0.10 0.35 -1.61 0.00 0.00 178.31 176.66 3kbc h PHE 324 N 0.00 -0.25 0.66 -0.55 3.57 -0.16 -0.76 116.94 119.45 3kbc h PHE 324 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kbc h PHE 324 Cb 0.36 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3kbc h PHE 324 CO 0.00 0.13 -0.45 0.82 -2.23 0.00 0.00 178.31 176.58 3kbc h ILE 325 N -0.69 0.00 -0.80 1.41 1.08 -0.79 -0.49 117.51 117.23 3kbc h ILE 325 Ca -0.03 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.59 3kbc h ILE 325 Cb 0.49 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.09 3kbc h ILE 325 CO 0.04 0.00 -0.29 0.00 -0.69 0.00 0.00 178.15 177.21 3kbc h ALA 326 N -1.19 0.27 -0.20 1.87 0.00 -1.16 0.45 119.26 119.29 3kbc h ALA 326 Ca -0.09 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kbc h ALA 326 Cb 0.86 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3kbc h ALA 326 CO 0.06 -0.54 -0.20 -0.91 0.00 0.00 0.00 179.25 177.66 3kbc h ASN 327 N -0.05 0.34 0.14 0.00 2.35 -0.97 -1.92 115.58 115.47 3kbc h ASN 327 Ca 0.34 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 3kbc h ASN 327 Cb 0.59 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3kbc h ASN 327 CO -0.84 0.56 -0.32 0.00 -1.65 0.00 0.00 177.43 175.19 3kbc h ALA 328 N 1.47 1.20 0.00 -0.83 0.00 0.77 -2.88 119.26 119.00 3kbc h ALA 328 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3kbc h ALA 328 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kbc h ALA 328 CO 0.04 0.53 -0.38 -0.07 0.00 0.00 0.00 179.25 179.37 3kbc h LEU 329 N 0.24 0.00 0.00 0.00 4.07 -1.07 -2.10 115.31 116.45 3kbc h LEU 329 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3kbc h LEU 329 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 3kbc h LEU 329 CO 0.05 0.13 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 3kbc n GLY 330 N 1.16 0.89 3.84 0.83 0.00 -0.94 -4.56 105.19 106.40 3kbc n GLY 330 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3kbc n GLY 330 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbc s SER 331 N -2.12 6.09 -0.28 1.61 0.15 -0.77 -5.02 113.70 113.36 3kbc s SER 331 Ca 0.00 0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.89 3kbc s SER 331 Cb 0.00 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 3kbc s SER 331 CO 0.00 0.35 0.16 -1.00 1.20 0.00 0.00 173.24 173.95 3kbc s HIS 332 N -1.10 3.18 0.02 3.44 3.76 -1.26 -4.11 115.29 119.21 3kbc s HIS 332 Ca 0.19 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.65 3kbc s HIS 332 Cb -0.12 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.15 3kbc s HIS 332 CO 0.09 -0.27 1.64 -0.51 -0.85 0.00 0.00 174.74 174.84 3kbc s LEU 333 N 1.70 4.35 -0.14 0.89 1.02 -1.26 -4.95 118.68 120.29 3kbc s LEU 333 Ca 0.06 2.37 -0.29 0.00 0.02 0.00 0.00 54.13 56.29 3kbc s LEU 333 Cb -0.16 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.49 3kbc s LEU 333 CO 0.08 -0.89 1.09 0.28 0.02 0.00 0.00 176.35 176.94 3kbc s THR 334 N 3.23 4.57 -0.08 5.49 -1.32 -1.26 -4.78 115.64 121.48 3kbc s THR 334 Ca 0.73 1.87 -0.37 0.00 -1.21 0.00 0.00 61.69 62.71 3kbc s THR 334 Cb -0.37 -4.20 -0.15 0.00 -1.51 0.00 0.00 72.50 66.27 3kbc s THR 334 CO 0.31 -0.07 1.64 0.55 -2.21 0.00 0.00 174.62 174.85 3kbc n VAL 335 N 4.88 0.24 0.00 5.08 3.14 -1.26 0.16 118.33 130.57 3kbc n VAL 335 Ca 0.11 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3kbc n VAL 335 Cb 0.47 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 3kbc n VAL 335 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kbc n GLY 336 N 3.68 4.24 0.05 7.55 0.00 -1.26 -4.67 105.19 114.78 3kbc n GLY 336 Ca 0.22 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.43 3kbc n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbc n GLN 337 N 0.00 0.67 0.12 1.61 10.64 0.12 -2.87 117.38 127.68 3kbc n GLN 337 Ca 0.00 -0.11 -0.02 0.00 -1.83 0.00 0.00 57.00 55.03 3kbc n GLN 337 Cb 0.00 -1.53 0.14 0.00 -0.86 0.00 0.00 30.24 27.99 3kbc n GLN 337 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3kbc h GLN 338 N 0.00 0.04 -0.00 2.61 4.15 -1.50 -1.82 115.11 118.59 3kbc h GLN 338 Ca -0.22 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3kbc h GLN 338 Cb 1.51 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.20 3kbc h GLN 338 CO 0.01 0.67 -0.47 1.47 -1.93 0.00 0.00 178.83 178.59 3kbc n LEU 339 N -3.79 0.66 0.10 -2.39 -0.00 -1.25 -3.28 117.00 107.05 3kbc n LEU 339 Ca -0.01 -0.09 -0.04 0.00 -0.00 0.00 0.00 56.01 55.87 3kbc n LEU 339 Cb 0.64 -0.21 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 3kbc n LEU 339 CO 0.43 0.15 0.31 0.74 -0.00 0.00 0.00 177.39 179.02 3kbc h THR 340 N 0.29 1.51 -0.33 1.47 2.02 -1.21 -2.71 112.91 113.96 3kbc h THR 340 Ca 0.00 -2.80 -0.05 0.00 0.77 0.00 0.00 66.41 64.33 3kbc h THR 340 Cb 0.50 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 3kbc h THR 340 CO 0.00 0.78 0.00 0.40 0.37 0.00 0.00 175.52 177.07 3kbc h ILE 341 N 0.00 1.26 0.09 3.11 2.04 -1.37 0.32 117.51 122.96 3kbc h ILE 341 Ca -0.01 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3kbc h ILE 341 Cb 1.47 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3kbc h ILE 341 CO 0.10 0.31 -0.05 1.62 0.00 0.00 0.00 178.15 180.14 3kbc h VAL 342 N 0.38 0.91 -0.95 1.67 3.04 -1.65 1.49 116.25 121.13 3kbc h VAL 342 Ca 0.09 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.78 3kbc h VAL 342 Cb 0.44 0.91 -0.05 0.00 -2.01 0.00 0.00 31.29 30.58 3kbc h VAL 342 CO 0.02 0.00 0.58 0.25 -1.01 0.00 0.00 177.57 177.40 3kbc h LEU 343 N -0.13 1.15 0.06 3.16 7.12 -1.36 -2.92 115.31 122.39 3kbc h LEU 343 Ca -0.01 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 3kbc h LEU 343 Cb 0.10 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 3kbc h LEU 343 CO 0.02 0.88 -0.03 0.74 -0.13 0.00 0.00 178.44 179.92 3kbc h THR 344 N 1.32 1.24 -1.14 1.05 2.02 0.10 -3.29 112.91 114.20 3kbc h THR 344 Ca 0.34 -1.50 0.32 0.00 0.77 0.00 0.00 66.41 66.35 3kbc h THR 344 Cb -0.06 2.15 -0.09 0.00 -1.74 0.00 0.00 68.15 68.41 3kbc h THR 344 CO -0.06 0.35 0.75 0.00 0.37 0.00 0.00 175.52 176.93 3kbc h ALA 345 N -0.03 2.53 0.07 6.16 0.00 0.21 0.71 119.26 128.92 3kbc h ALA 345 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kbc h ALA 345 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kbc h ALA 345 CO 0.01 -0.97 -0.03 0.28 0.00 0.00 0.00 179.25 178.54 3kbc h VAL 346 N 0.25 1.12 -0.41 0.00 2.07 -1.60 0.31 116.25 118.00 3kbc h VAL 346 Ca 0.64 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3kbc h VAL 346 Cb 1.91 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 3kbc h VAL 346 CO -0.27 0.17 -0.09 -0.07 0.02 0.00 0.00 177.57 177.33 3kbc h LEU 347 N -0.41 0.70 -1.25 2.57 4.07 -1.05 0.28 115.31 120.22 3kbc h LEU 347 Ca -0.01 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 3kbc h LEU 347 Cb 0.35 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 3kbc h LEU 347 CO 0.02 0.83 0.01 0.00 -1.08 0.00 0.00 178.44 178.22 3kbc h ALA 348 N 1.24 1.39 0.06 1.53 0.00 0.54 -0.97 119.26 123.04 3kbc h ALA 348 Ca 0.12 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 3kbc h ALA 348 Cb 0.54 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kbc h ALA 348 CO 0.03 0.43 -1.06 0.66 0.00 0.00 0.00 179.25 179.31 3kbc h SER 349 N 0.50 0.37 0.45 0.00 4.64 0.28 -2.31 113.55 117.48 3kbc h SER 349 Ca 0.11 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3kbc h SER 349 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3kbc h SER 349 CO 0.01 1.21 0.00 -0.38 -0.87 0.00 0.00 176.83 176.80 3kbc n ILE 350 N -3.60 0.58 -0.06 0.95 5.41 0.03 -2.03 119.36 120.64 3kbc n ILE 350 Ca -0.06 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.70 3kbc n ILE 350 Cb 0.92 -0.84 -0.14 0.00 -0.71 0.00 0.00 39.64 38.87 3kbc n ILE 350 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kbc n GLY 351 N 0.29 -0.77 3.51 7.39 0.00 -0.43 -4.78 105.19 110.40 3kbc n GLY 351 Ca 0.07 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3kbc n GLY 351 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kbc n THR 352 N -3.08 1.96 0.21 2.61 -1.04 -0.86 -4.89 114.28 109.18 3kbc n THR 352 Ca -0.31 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 3kbc n THR 352 Cb 1.07 -0.69 0.14 0.00 -1.82 0.00 0.00 70.33 69.03 3kbc n THR 352 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kbc h ALA 353 N 1.33 0.88 -2.12 2.41 0.00 -1.88 -3.46 119.26 116.42 3kbc h ALA 353 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3kbc h ALA 353 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3kbc h ALA 353 CO 0.56 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 180.16 3kbc n GLY 354 N 1.13 0.47 3.33 0.00 0.00 -1.26 -4.77 105.19 104.09 3kbc n GLY 354 Ca 0.03 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3kbc n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbc s VAL 355 N -3.03 0.00 0.04 1.61 1.01 -1.26 -2.56 120.40 116.21 3kbc s VAL 355 Ca 0.01 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.09 3kbc s VAL 355 Cb -0.01 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kbc s VAL 355 CO 0.06 0.00 1.08 -2.65 0.00 0.00 0.00 175.10 173.59 3kbc n PRO 356 N -0.38 -0.10 0.00 2.72 -0.01 -1.25 -2.17 135.00 133.82 3kbc n PRO 356 Ca 0.02 1.07 -0.11 0.00 -0.01 0.00 0.00 63.50 64.47 3kbc n PRO 356 Cb 0.64 -1.59 -0.05 0.00 -0.01 0.00 0.00 33.50 32.49 3kbc n PRO 356 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 3kbc h GLY 357 N 0.00 0.08 0.00 -1.23 0.00 -1.93 -3.42 103.07 96.57 3kbc h GLY 357 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kbc h GLY 357 CO -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.30 3kbc n ALA 358 N -2.20 0.00 -0.04 3.60 0.00 -0.92 -2.77 120.51 118.18 3kbc n ALA 358 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3kbc n ALA 358 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3kbc n ALA 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbc n GLY 359 N 0.00 -0.24 0.38 0.00 0.00 -1.26 -1.46 105.19 102.60 3kbc n GLY 359 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3kbc n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbc h ALA 360 N -0.11 -0.03 -0.77 4.61 0.00 -1.86 -1.23 119.26 119.87 3kbc h ALA 360 Ca 0.00 0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3kbc h ALA 360 Cb 0.00 0.98 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 3kbc h ALA 360 CO 0.00 -0.70 0.28 0.82 0.00 0.00 0.00 179.25 179.65 3kbc h ILE 361 N -0.08 0.58 0.00 0.00 2.04 -1.34 0.18 117.51 118.89 3kbc h ILE 361 Ca 0.28 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3kbc h ILE 361 Cb 0.57 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3kbc h ILE 361 CO -0.86 0.07 0.00 0.23 0.00 0.00 0.00 178.15 177.59 3kbc n MET 362 N -5.05 0.63 -0.05 2.37 2.81 -0.49 -3.10 117.12 114.24 3kbc n MET 362 Ca 0.16 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 3kbc n MET 362 Cb 0.47 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 3kbc n MET 362 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3kbc h LEU 363 N 0.00 0.37 -1.18 4.03 5.85 -0.35 -2.81 115.31 121.22 3kbc h LEU 363 Ca 0.00 -0.52 0.25 0.00 0.84 0.00 0.00 57.88 58.46 3kbc h LEU 363 Cb 0.08 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 40.89 3kbc h LEU 363 CO 0.00 0.82 0.63 0.00 -0.34 0.00 0.00 178.44 179.55 3kbc h MET 365 N 0.50 0.61 0.00 0.00 1.85 -1.67 0.24 114.93 116.46 3kbc h MET 365 Ca 0.62 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.65 3kbc h MET 365 Cb 1.35 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.24 3kbc h MET 365 CO -0.38 0.40 -0.08 -0.24 -0.40 0.00 0.00 176.91 176.21 3kbc h VAL 366 N 0.63 0.16 0.04 -5.77 3.04 0.19 -3.15 116.25 111.38 3kbc h VAL 366 Ca 0.33 -0.99 -0.11 0.00 -1.01 0.00 0.00 66.70 64.92 3kbc h VAL 366 Cb 0.30 1.86 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3kbc h VAL 366 CO -0.24 0.08 -0.56 -0.07 -1.01 0.00 0.00 177.57 175.78 3kbc h LEU 367 N 0.00 0.13 -2.01 3.16 3.38 0.69 -3.28 115.31 117.38 3kbc h LEU 367 Ca -0.00 -0.88 0.16 0.00 0.09 0.00 0.00 57.88 57.25 3kbc h LEU 367 Cb 0.86 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3kbc h LEU 367 CO 0.01 1.24 0.41 0.45 0.09 0.00 0.00 178.44 180.64 3kbc h HIS 368 N -0.81 0.00 -3.11 1.13 3.86 -0.69 -2.17 115.15 113.36 3kbc h HIS 368 Ca -0.13 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.48 3kbc h HIS 368 Cb 1.26 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.65 3kbc h HIS 368 CO 0.21 0.00 -0.28 -1.54 0.86 0.00 0.00 177.93 177.18 3kbc s SER 369 N -6.04 6.58 0.00 2.45 1.04 -1.19 -3.52 113.70 113.02 3kbc s SER 369 Ca -0.05 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.07 3kbc s SER 369 Cb 0.19 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 64.11 3kbc s SER 369 CO 0.71 0.21 0.00 0.52 0.98 0.00 0.00 173.24 175.66 3kbc n VAL 370 N 2.78 0.00 -3.59 5.02 0.31 -1.25 -4.66 118.33 116.94 3kbc n VAL 370 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.00 3kbc n VAL 370 Cb 0.52 -0.01 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3kbc n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kbc n GLY 371 N -2.20 -1.21 2.43 2.92 0.00 -1.20 -5.00 105.19 100.92 3kbc n GLY 371 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 3kbc n GLY 371 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbc n LEU 372 N -2.80 -0.36 -4.65 0.99 4.77 -0.82 -4.89 117.00 109.23 3kbc n LEU 372 Ca -0.18 -4.42 -0.47 0.00 -0.03 0.00 0.00 56.01 50.91 3kbc n LEU 372 Cb 0.62 0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 42.42 3kbc n LEU 372 CO 0.62 2.16 1.04 -2.65 -1.33 0.00 0.00 177.39 177.23 3kbc n PRO 373 N 0.26 1.88 0.00 3.23 -0.02 -1.26 -4.49 135.00 134.59 3kbc n PRO 373 Ca 0.16 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.40 3kbc n PRO 373 Cb 0.69 -2.36 0.39 0.00 -0.02 0.00 0.00 33.50 32.20 3kbc n PRO 373 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kbc n LEU 374 N 2.70 0.00 0.00 2.45 4.32 -1.26 -1.85 117.00 123.36 3kbc n LEU 374 Ca 0.15 0.39 0.09 0.00 -0.02 0.00 0.00 56.01 56.62 3kbc n LEU 374 Cb 0.28 -0.39 0.55 0.00 -1.62 0.00 0.00 43.42 42.24 3kbc n LEU 374 CO 0.63 -0.17 0.76 0.35 -1.22 0.00 0.00 177.39 177.73 3kbc n THR 375 N -1.39 0.04 -3.74 -5.08 -2.24 -1.26 -4.03 114.28 96.58 3kbc n THR 375 Ca 0.06 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 3kbc n THR 375 Cb 0.16 -0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 3kbc n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kbc s ASP 376 N -2.05 5.80 0.14 3.42 -1.08 -0.77 -5.01 116.67 117.11 3kbc s ASP 376 Ca 0.27 0.02 -0.19 0.00 -0.52 0.00 0.00 52.55 52.13 3kbc s ASP 376 Cb 0.13 -2.04 0.04 0.00 -1.46 0.00 0.00 42.92 39.59 3kbc s ASP 376 CO 0.22 0.05 1.16 -2.65 0.52 0.00 0.00 175.17 174.47 3kbc n PRO 377 N 4.38 -0.27 0.40 4.34 -0.02 -1.26 -0.35 135.00 142.22 3kbc n PRO 377 Ca -0.15 1.14 -0.18 0.00 -2.02 0.00 0.00 63.50 62.29 3kbc n PRO 377 Cb 0.52 -1.68 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 3kbc n PRO 377 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kbc h ASN 378 N 0.00 -0.86 -0.39 2.55 2.35 -1.94 0.36 115.58 117.66 3kbc h ASN 378 Ca 0.17 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 3kbc h ASN 378 Cb 0.36 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 3kbc h ASN 378 CO -0.72 -0.56 -0.16 0.58 -1.65 0.00 0.00 177.43 174.92 3kbc h VAL 379 N -1.11 0.49 0.00 2.81 2.07 -1.67 0.27 116.25 119.11 3kbc h VAL 379 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3kbc h VAL 379 Cb 0.80 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3kbc h VAL 379 CO 0.17 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 3kbc h ALA 380 N 1.23 1.79 -0.15 1.67 0.00 -0.66 0.22 119.26 123.35 3kbc h ALA 380 Ca 0.19 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 3kbc h ALA 380 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kbc h ALA 380 CO -0.45 0.06 -0.75 0.00 0.00 0.00 0.00 179.25 178.11 3kbc h ALA 381 N 1.95 0.36 0.20 0.00 0.00 0.17 -2.46 119.26 119.48 3kbc h ALA 381 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3kbc h ALA 381 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kbc h ALA 381 CO 0.01 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.86 3kbc h ALA 382 N 0.62 -0.27 -0.92 0.00 0.00 0.12 -3.23 119.26 115.59 3kbc h ALA 382 Ca -0.04 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.92 3kbc h ALA 382 Cb 1.37 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 3kbc h ALA 382 CO 0.15 -0.33 0.28 -0.92 0.00 0.00 0.00 179.25 178.44 3kbc h TYR 383 N -0.91 0.42 0.00 0.00 3.20 -0.71 0.87 116.97 119.84 3kbc h TYR 383 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kbc h TYR 383 Cb 0.50 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3kbc h TYR 383 CO 0.07 -0.24 0.06 0.00 -1.64 0.00 0.00 178.16 176.40 3kbc h ALA 384 N 1.83 1.05 0.00 1.82 0.00 -1.45 -0.75 119.26 121.76 3kbc h ALA 384 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.45 3kbc h ALA 384 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kbc h ALA 384 CO -0.68 -0.05 -0.39 0.52 0.00 0.00 0.00 179.25 178.65 3kbc h MET 385 N 0.00 0.00 -0.58 0.00 2.86 0.70 -3.21 114.93 114.70 3kbc h MET 385 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3kbc h MET 385 Cb 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3kbc h MET 385 CO 0.00 0.61 0.22 0.82 1.06 0.00 0.00 176.91 179.63 3kbc h ILE 386 N -1.00 1.21 0.00 -1.22 2.04 -1.40 -0.42 117.51 116.72 3kbc h ILE 386 Ca -0.09 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3kbc h ILE 386 Cb 0.76 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3kbc h ILE 386 CO -0.05 0.26 -0.01 0.25 0.00 0.00 0.00 178.15 178.60 3kbc h LEU 387 N 0.83 0.00 0.00 1.44 5.85 -1.30 -0.40 115.31 121.74 3kbc h LEU 387 Ca 0.20 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 3kbc h LEU 387 Cb 0.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kbc h LEU 387 CO -0.02 0.01 -1.05 1.23 -0.34 0.00 0.00 178.44 178.28 3kbc h GLY 388 N 0.79 0.00 -1.76 3.75 0.00 -1.08 -3.29 103.07 101.48 3kbc h GLY 388 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kbc h GLY 388 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3kbc n ILE 389 N -3.28 2.00 0.14 2.60 -5.35 -0.79 -4.68 119.36 110.00 3kbc n ILE 389 Ca -0.02 -1.60 -0.14 0.00 -0.27 0.00 0.00 62.75 60.72 3kbc n ILE 389 Cb 0.93 -0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 38.71 3kbc n ILE 389 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3kbc h ASP 390 N 2.17 -0.90 -0.88 7.28 -0.00 -1.17 -2.83 116.42 120.08 3kbc h ASP 390 Ca 0.00 0.10 0.15 0.00 -0.00 0.00 0.00 57.03 57.28 3kbc h ASP 390 Cb 1.32 0.33 -0.15 0.00 -0.00 0.00 0.00 39.33 40.83 3kbc h ASP 390 CO 0.19 -0.42 -0.30 0.00 -0.00 0.00 0.00 179.24 178.71 3kbc n ALA 391 N -2.68 0.01 0.07 -0.78 0.00 -1.26 0.16 120.51 116.04 3kbc n ALA 391 Ca -0.07 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 3kbc n ALA 391 Cb 0.33 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 3kbc n ALA 391 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kbc h ILE 392 N 0.00 0.57 -0.07 0.00 1.08 -1.87 -2.29 117.51 114.93 3kbc h ILE 392 Ca 0.35 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.72 3kbc h ILE 392 Cb 0.57 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3kbc h ILE 392 CO -0.89 0.00 -0.43 -0.07 -0.69 0.00 0.00 178.15 176.07 3kbc h LEU 393 N -0.31 0.16 -0.90 1.44 3.38 -0.53 -3.16 115.31 115.39 3kbc h LEU 393 Ca 0.05 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kbc h LEU 393 Cb 0.37 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3kbc h LEU 393 CO -0.16 0.58 0.59 -0.78 0.09 0.00 0.00 178.44 178.77 3kbc h ASP 394 N 0.13 1.01 0.89 -0.43 3.58 0.21 -1.79 116.42 120.02 3kbc h ASP 394 Ca 0.01 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 3kbc h ASP 394 Cb 0.82 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.64 3kbc h ASP 394 CO 0.06 0.71 -0.43 0.24 -2.88 0.00 0.00 179.24 176.94 3kbc h MET 395 N 1.18 -1.15 0.00 0.28 2.86 -1.40 0.98 114.93 117.68 3kbc h MET 395 Ca 0.34 0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3kbc h MET 395 Cb -0.08 0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3kbc h MET 395 CO -0.09 -0.77 -0.02 0.78 1.06 0.00 0.00 176.91 177.87 3kbc h GLY 396 N -1.20 0.00 0.00 8.32 0.00 -1.68 -2.21 103.07 106.30 3kbc h GLY 396 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3kbc h GLY 396 CO 0.20 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.61 3kbc n ARG 397 N -3.43 0.00 -0.27 4.80 0.63 -0.67 -3.23 116.66 114.49 3kbc n ARG 397 Ca -0.03 0.23 0.25 0.00 -0.92 0.00 0.00 57.85 57.38 3kbc n ARG 397 Cb 0.12 -1.07 0.47 0.00 0.45 0.00 0.00 32.46 32.43 3kbc n ARG 397 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3kbc n THR 398 N -1.18 -0.35 -0.22 5.15 -1.04 0.30 -0.10 114.28 116.85 3kbc n THR 398 Ca 0.00 1.69 -0.06 0.00 -2.04 0.00 0.00 64.05 63.64 3kbc n THR 398 Cb 0.00 -2.73 0.04 0.00 -1.82 0.00 0.00 70.33 65.82 3kbc n THR 398 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3kbc h MET 399 N 0.00 0.85 -0.28 -2.82 1.85 -1.46 -2.58 114.93 110.49 3kbc h MET 399 Ca 0.69 -0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.60 3kbc h MET 399 Cb 1.80 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 33.64 3kbc h MET 399 CO -0.65 0.61 -0.24 0.28 -0.40 0.00 0.00 176.91 176.51 3kbc h VAL 400 N 0.85 1.26 -0.31 -5.77 2.07 -0.48 -2.13 116.25 111.74 3kbc h VAL 400 Ca 0.22 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3kbc h VAL 400 Cb -0.02 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3kbc h VAL 400 CO -0.04 0.41 -0.04 0.78 0.02 0.00 0.00 177.57 178.69 3kbc h ASN 401 N 0.47 -0.22 0.00 0.57 2.35 -1.27 0.54 115.58 118.02 3kbc h ASN 401 Ca 0.07 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kbc h ASN 401 Cb 0.67 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3kbc h ASN 401 CO 0.05 -0.07 -0.00 0.58 -1.65 0.00 0.00 177.43 176.34 3kbc h VAL 402 N 0.04 1.19 -0.38 2.81 2.07 -1.37 -3.07 116.25 117.54 3kbc h VAL 402 Ca 0.15 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3kbc h VAL 402 Cb 0.22 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 3kbc h VAL 402 CO -0.29 0.14 -0.27 0.74 0.02 0.00 0.00 177.57 177.91 3kbc h THR 403 N -0.24 0.31 -0.99 2.57 2.02 -0.92 0.25 112.91 115.91 3kbc h THR 403 Ca -0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 3kbc h THR 403 Cb 0.24 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 3kbc h THR 403 CO 0.00 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.75 3kbc h GLY 404 N -0.21 1.25 0.72 2.16 0.00 -0.87 0.14 103.07 106.25 3kbc h GLY 404 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3kbc h GLY 404 CO -0.50 -0.08 -0.34 -0.55 0.00 0.00 0.00 176.54 175.06 3kbc h ASP 405 N 0.49 -0.82 -0.20 0.19 5.19 -0.86 -1.76 116.42 118.65 3kbc h ASP 405 Ca 0.55 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 57.04 3kbc h ASP 405 Cb 1.26 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.93 3kbc h ASP 405 CO -0.28 -0.55 -0.12 -0.07 -3.12 0.00 0.00 179.24 175.10 3kbc h LEU 406 N -1.04 -0.41 -1.17 1.55 3.38 -1.01 0.15 115.31 116.76 3kbc h LEU 406 Ca -0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kbc h LEU 406 Cb 0.74 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3kbc h LEU 406 CO 0.16 -0.16 0.16 0.41 0.09 0.00 0.00 178.44 179.10 3kbc n THR 407 N -5.28 0.79 -0.11 0.22 -1.04 0.43 -0.07 114.28 109.22 3kbc n THR 407 Ca -0.02 0.75 -0.19 0.00 -2.04 0.00 0.00 64.05 62.56 3kbc n THR 407 Cb 0.20 -1.75 -0.12 0.00 -1.82 0.00 0.00 70.33 66.84 3kbc n THR 407 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kbc n GLY 408 N -1.28 -0.40 0.13 3.41 0.00 0.13 -3.87 105.19 103.31 3kbc n GLY 408 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3kbc n GLY 408 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kbc h THR 409 N 0.01 1.15 -0.66 2.61 2.02 0.13 -0.74 112.91 117.44 3kbc h THR 409 Ca -0.55 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.22 3kbc h THR 409 Cb 1.92 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 69.30 3kbc h THR 409 CO -0.06 0.15 0.40 0.00 0.37 0.00 0.00 175.52 176.38 3kbc h ALA 410 N 0.96 0.86 -0.12 6.16 0.00 -0.68 -1.76 119.26 124.68 3kbc h ALA 410 Ca 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3kbc h ALA 410 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kbc h ALA 410 CO -0.01 0.13 -0.56 0.82 0.00 0.00 0.00 179.25 179.63 3kbc h ILE 411 N 0.76 1.35 -0.03 0.00 5.03 -1.63 -2.85 117.51 120.15 3kbc h ILE 411 Ca 0.27 -1.85 -0.11 0.00 -0.12 0.00 0.00 64.86 63.05 3kbc h ILE 411 Cb 0.07 1.87 -0.01 0.00 -3.03 0.00 0.00 36.82 35.71 3kbc h ILE 411 CO -0.13 0.56 -0.50 1.62 -0.68 0.00 0.00 178.15 179.02 3kbc h VAL 412 N 0.29 1.36 -0.32 1.67 3.04 -0.79 -2.90 116.25 118.59 3kbc h VAL 412 Ca 0.00 -1.74 -0.06 0.00 -1.01 0.00 0.00 66.70 63.89 3kbc h VAL 412 Cb 1.07 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 3kbc h VAL 412 CO 0.09 0.50 -0.05 0.00 -1.01 0.00 0.00 177.57 177.11 3kbc h ALA 413 N 1.43 0.44 -0.92 3.17 0.00 -1.23 -2.48 119.26 119.68 3kbc h ALA 413 Ca -0.00 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 54.86 3kbc h ALA 413 Cb 0.91 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 3kbc h ALA 413 CO 0.07 0.24 0.46 -0.22 0.00 0.00 0.00 179.25 179.79 3kbc h LYS 414 N 0.38 0.47 -0.65 0.00 1.63 -1.30 -0.78 116.57 116.32 3kbc h LYS 414 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3kbc h LYS 414 Cb 0.52 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3kbc h LYS 414 CO 0.03 0.31 0.00 0.25 -3.45 0.00 0.00 179.45 176.59 3kbc n THR 415 N -4.97 1.48 0.21 1.00 -2.24 -1.17 -5.13 114.28 103.46 3kbc n THR 415 Ca 0.23 -1.13 0.03 0.00 -2.27 0.00 0.00 64.05 60.90 3kbc n THR 415 Cb 0.65 0.28 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3kbc n THR 415 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71