#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfs s HIS 2 N 0.00 2.43 -0.17 6.00 3.76 -1.26 -5.12 115.29 120.93 3dfs s HIS 2 Ca 0.00 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.40 3dfs s HIS 2 Cb 0.00 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 3dfs s HIS 2 CO 0.00 0.21 0.48 0.45 -0.85 0.00 0.00 174.74 175.03 3dfs s SER 3 N -1.45 6.58 -0.56 1.40 0.15 -1.26 -5.00 113.70 113.56 3dfs s SER 3 Ca 0.13 0.69 0.06 0.00 0.70 0.00 0.00 55.95 57.54 3dfs s SER 3 Cb -0.10 -2.28 0.22 0.00 -1.71 0.00 0.00 66.02 62.15 3dfs s SER 3 CO 0.04 -0.09 0.59 1.41 1.20 0.00 0.00 173.24 176.39 3dfs n HIS 4 N 4.29 1.99 -0.06 3.44 8.25 -1.26 -5.07 115.22 126.79 3dfs n HIS 4 Ca -0.06 -3.93 -0.03 0.00 -0.26 0.00 0.00 57.72 53.44 3dfs n HIS 4 Cb 0.51 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3dfs n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dfs n PRO 5 N 1.47 0.00 0.02 -0.41 -0.02 -1.26 -4.82 135.00 129.98 3dfs n PRO 5 Ca 0.26 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.66 3dfs n PRO 5 Cb 0.44 -0.07 0.09 0.00 -0.02 0.00 0.00 33.50 33.93 3dfs n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dfs h ALA 6 N 0.45 0.78 -3.49 3.55 0.00 -1.98 -3.45 119.26 115.13 3dfs h ALA 6 Ca -0.00 -0.49 -0.45 0.00 0.00 0.00 0.00 54.91 53.97 3dfs h ALA 6 Cb 0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 3dfs h ALA 6 CO 0.05 0.68 -0.79 -0.51 0.00 0.00 0.00 179.25 178.68 3dfs s LEU 7 N -8.33 2.28 0.61 0.00 1.43 -1.26 -4.98 118.68 108.44 3dfs s LEU 7 Ca -0.07 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 3dfs s LEU 7 Cb 0.12 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.77 3dfs s LEU 7 CO 0.83 -0.04 0.90 0.42 0.23 0.00 0.00 176.35 178.68 3dfs s THR 8 N -1.23 2.91 0.26 5.49 -4.23 -1.26 -4.89 115.64 112.69 3dfs s THR 8 Ca 0.00 -0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3dfs s THR 8 Cb -0.10 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.83 3dfs s THR 8 CO 0.03 -0.16 1.89 -0.65 -0.54 0.00 0.00 174.62 175.18 3dfs h PRO 9 N -0.24 1.16 -0.47 3.99 0.11 -2.01 -1.42 132.00 133.11 3dfs h PRO 9 Ca -0.44 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3dfs h PRO 9 Cb 1.29 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3dfs h PRO 9 CO 0.58 0.77 0.16 0.93 -0.21 0.00 0.00 178.00 180.23 3dfs h GLU 10 N 1.19 0.73 -0.74 1.05 3.07 -1.99 -1.05 114.58 116.84 3dfs h GLU 10 Ca 0.41 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3dfs h GLU 10 Cb 0.10 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3dfs h GLU 10 CO -0.15 0.68 0.27 1.96 -1.40 0.00 0.00 179.01 180.37 3dfs h GLN 11 N 0.63 1.12 -0.40 2.33 4.20 -1.82 -1.86 115.11 119.32 3dfs h GLN 11 Ca 0.15 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3dfs h GLN 11 Cb 0.25 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3dfs h GLN 11 CO -0.01 0.94 0.16 0.87 -0.67 0.00 0.00 178.83 180.12 3dfs h LYS 12 N 1.08 0.59 -0.44 1.46 1.57 -1.04 -2.07 116.57 117.72 3dfs h LYS 12 Ca 0.24 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3dfs h LYS 12 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3dfs h LYS 12 CO -0.01 0.55 0.24 -0.22 -0.57 0.00 0.00 179.45 179.44 3dfs h LYS 13 N 0.49 0.47 -0.16 3.15 3.64 -0.93 0.37 116.57 123.61 3dfs h LYS 13 Ca 0.13 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3dfs h LYS 13 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3dfs h LYS 13 CO -0.01 0.31 0.02 1.49 -2.27 0.00 0.00 179.45 178.99 3dfs h GLU 14 N 0.49 0.08 -0.31 1.90 4.81 -1.16 0.60 114.58 120.99 3dfs h GLU 14 Ca 0.18 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3dfs h GLU 14 Cb 0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3dfs h GLU 14 CO -0.11 0.05 0.12 -0.07 -0.73 0.00 0.00 179.01 178.28 3dfs h LEU 15 N 0.08 0.43 -0.66 1.64 3.38 -1.02 -1.57 115.31 117.60 3dfs h LEU 15 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3dfs h LEU 15 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3dfs h LEU 15 CO -0.10 0.48 0.33 -1.28 0.09 0.00 0.00 178.44 177.95 3dfs h SER 16 N 0.34 0.86 -0.57 -0.43 0.87 -0.77 -0.86 113.55 112.99 3dfs h SER 16 Ca 0.10 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3dfs h SER 16 Cb 0.19 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3dfs h SER 16 CO -0.01 0.74 0.34 0.44 -0.53 0.00 0.00 176.83 177.81 3dfs h ASP 17 N 0.91 0.69 -0.18 6.23 3.32 -0.72 -1.11 116.42 125.56 3dfs h ASP 17 Ca 0.23 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3dfs h ASP 17 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3dfs h ASP 17 CO -0.03 0.55 0.08 0.40 -1.72 0.00 0.00 179.24 178.52 3dfs h ILE 18 N 0.77 1.14 -0.69 0.35 2.04 -1.00 -2.01 117.51 118.13 3dfs h ILE 18 Ca 0.20 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3dfs h ILE 18 Cb -0.01 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3dfs h ILE 18 CO -0.04 0.14 0.41 0.00 0.00 0.00 0.00 178.15 178.66 3dfs h ALA 19 N 0.93 0.91 -0.36 1.87 0.00 -0.92 -2.48 119.26 119.22 3dfs h ALA 19 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3dfs h ALA 19 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dfs h ALA 19 CO -0.01 0.13 -0.23 0.45 0.00 0.00 0.00 179.25 179.59 3dfs h HIS 20 N 0.77 0.80 -0.80 0.00 3.86 -1.09 -3.07 115.15 115.63 3dfs h HIS 20 Ca 0.29 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3dfs h HIS 20 Cb 0.11 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 3dfs h HIS 20 CO -0.06 0.87 0.37 0.00 0.86 0.00 0.00 177.93 179.98 3dfs h ARG 21 N 0.62 1.17 -0.74 2.45 3.08 -0.94 -1.77 114.38 118.25 3dfs h ARG 21 Ca 0.09 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3dfs h ARG 21 Cb 0.72 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3dfs h ARG 21 CO 0.06 0.91 0.26 0.82 -1.07 0.00 0.00 179.97 180.95 3dfs h ILE 22 N 1.15 1.25 -0.46 2.04 2.04 -1.37 -3.13 117.51 119.04 3dfs h ILE 22 Ca 0.27 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 3dfs h ILE 22 Cb 0.14 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 3dfs h ILE 22 CO -0.03 0.34 0.08 1.33 0.00 0.00 0.00 178.15 179.87 3dfs n VAL 23 N -4.27 2.60 -1.16 1.67 0.24 -1.15 -4.19 118.33 112.07 3dfs n VAL 23 Ca 0.06 -2.13 -0.35 0.00 -2.04 0.00 0.00 64.34 59.89 3dfs n VAL 23 Cb 0.21 -0.32 0.10 0.00 -1.47 0.00 0.00 33.84 32.36 3dfs n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfs n ALA 24 N -0.69 -0.93 -1.65 2.33 0.00 -0.68 -4.72 120.51 114.17 3dfs n ALA 24 Ca 0.33 -0.31 -0.61 0.00 0.00 0.00 0.00 53.44 52.84 3dfs n ALA 24 Cb 1.11 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 3dfs n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dfs n PRO 25 N -1.92 0.39 -0.60 0.00 -0.02 -1.26 -0.68 135.00 130.92 3dfs n PRO 25 Ca 0.11 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3dfs n PRO 25 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3dfs n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dfs n GLY 26 N 3.09 1.59 3.81 -1.23 0.00 -1.26 -5.03 105.19 106.16 3dfs n GLY 26 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 3dfs n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfs s LYS 27 N -0.08 2.97 0.00 1.61 1.02 0.14 -4.42 119.74 120.98 3dfs s LYS 27 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3dfs s LYS 27 Cb 0.00 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3dfs s LYS 27 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3dfs n GLY 28 N -0.01 3.76 3.24 -3.33 0.00 -0.23 -4.63 105.19 103.99 3dfs n GLY 28 Ca -0.08 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 3dfs n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfs s ILE 29 N -2.10 2.01 -0.34 -0.61 1.01 0.14 -0.27 121.20 121.04 3dfs s ILE 29 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 3dfs s ILE 29 Cb 0.00 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 3dfs s ILE 29 CO 0.00 0.55 0.57 -0.22 0.00 0.00 0.00 174.94 175.85 3dfs s LEU 30 N 0.03 4.26 -0.72 2.97 2.96 -0.44 -1.78 118.68 125.97 3dfs s LEU 30 Ca -0.09 0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.78 3dfs s LEU 30 Cb -0.15 -2.69 0.14 0.00 0.50 0.00 0.00 46.19 43.98 3dfs s LEU 30 CO 0.05 -0.51 0.80 0.00 -1.32 0.00 0.00 176.35 175.38 3dfs s ALA 31 N 2.53 3.58 -0.33 5.97 0.00 0.09 -1.23 121.76 132.37 3dfs s ALA 31 Ca 0.22 -2.63 0.07 0.00 0.00 0.00 0.00 51.96 49.62 3dfs s ALA 31 Cb -0.15 -3.63 0.46 0.00 0.00 0.00 0.00 23.12 19.81 3dfs s ALA 31 CO 0.13 -2.45 1.38 0.00 0.00 0.00 0.00 175.76 174.82 3dfs n ALA 32 N 5.75 4.84 -1.17 0.00 0.00 -0.68 -4.11 120.51 125.13 3dfs n ALA 32 Ca 0.03 -3.52 -0.27 0.00 0.00 0.00 0.00 53.44 49.68 3dfs n ALA 32 Cb 0.45 -0.62 0.13 0.00 0.00 0.00 0.00 19.45 19.40 3dfs n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dfs n SER 33 N -0.90 5.37 -4.77 0.00 3.41 -1.01 -4.20 113.62 111.52 3dfs n SER 33 Ca 0.40 -3.60 -0.39 0.00 -0.26 0.00 0.00 58.87 55.02 3dfs n SER 33 Cb 0.90 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3dfs n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dfs s GLU 34 N -3.31 4.20 0.89 4.33 8.01 -1.26 -4.42 118.70 127.13 3dfs s GLU 34 Ca 0.57 1.99 -0.13 0.00 0.01 0.00 0.00 54.97 57.41 3dfs s GLU 34 Cb 0.46 -2.86 0.15 0.00 -4.31 0.00 0.00 34.13 27.57 3dfs s GLU 34 CO 0.05 -0.25 1.24 -1.54 0.01 0.00 0.00 175.26 174.78 3dfs s SER 35 N -0.85 3.67 0.16 -0.19 1.04 -1.26 -4.74 113.70 111.53 3dfs s SER 35 Ca 0.53 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 57.18 3dfs s SER 35 Cb -0.35 -0.60 0.05 0.00 0.10 0.00 0.00 66.02 65.23 3dfs s SER 35 CO 0.45 -2.38 1.77 0.74 0.98 0.00 0.00 173.24 174.79 3dfs h THR 36 N -1.35 0.96 -0.11 2.02 2.02 -1.98 0.73 112.91 115.20 3dfs h THR 36 Ca -0.44 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.51 3dfs h THR 36 Cb 1.27 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3dfs h THR 36 CO 0.47 0.06 -0.42 1.23 0.37 0.00 0.00 175.52 177.24 3dfs h GLY 37 N 0.35 0.28 1.50 2.16 0.00 -2.00 -2.14 103.07 103.22 3dfs h GLY 37 Ca 0.16 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 3dfs h GLY 37 CO -0.13 0.24 -0.76 0.23 0.00 0.00 0.00 176.54 176.12 3dfs h SER 38 N 0.21 0.58 1.61 0.19 0.87 -1.76 -3.07 113.55 112.18 3dfs h SER 38 Ca 0.02 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3dfs h SER 38 Cb 0.83 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3dfs h SER 38 CO 0.07 1.15 0.00 -0.29 -0.53 0.00 0.00 176.83 177.22 3dfs h ILE 39 N 0.32 0.00 -0.25 2.23 6.09 -0.82 -3.37 117.51 121.72 3dfs h ILE 39 Ca -0.04 -0.61 0.05 0.00 -1.37 0.00 0.00 64.86 62.89 3dfs h ILE 39 Cb 1.35 1.61 -0.08 0.00 0.47 0.00 0.00 36.82 40.18 3dfs h ILE 39 CO 0.14 0.00 -0.46 0.00 -3.07 0.00 0.00 178.15 174.75 3dfs h ALA 40 N 2.39 -0.62 -0.63 0.18 0.00 -1.28 -0.95 119.26 118.35 3dfs h ALA 40 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dfs h ALA 40 Cb 0.81 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 3dfs h ALA 40 CO 0.00 -0.96 0.33 -0.22 0.00 0.00 0.00 179.25 178.41 3dfs h LYS 41 N -0.45 0.59 -0.65 0.00 3.64 -1.75 0.38 116.57 118.34 3dfs h LYS 41 Ca 0.09 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3dfs h LYS 41 Cb 0.62 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3dfs h LYS 41 CO -0.48 0.39 0.33 0.00 -2.27 0.00 0.00 179.45 177.42 3dfs h ARG 42 N 0.61 0.92 -0.16 1.90 3.08 -1.68 0.13 114.38 119.19 3dfs h ARG 42 Ca 0.28 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3dfs h ARG 42 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3dfs h ARG 42 CO -0.19 0.71 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.00 3dfs h LEU 43 N 0.89 0.33 -0.92 3.04 3.38 -0.68 -2.58 115.31 118.77 3dfs h LEU 43 Ca 0.22 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3dfs h LEU 43 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dfs h LEU 43 CO -0.03 0.66 -0.22 -0.61 0.09 0.00 0.00 178.44 178.33 3dfs h GLN 44 N 0.28 0.54 0.00 1.13 5.75 -0.26 -0.59 115.11 121.96 3dfs h GLN 44 Ca 0.03 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3dfs h GLN 44 Cb 0.75 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.26 3dfs h GLN 44 CO 0.06 0.72 0.00 -1.13 -2.65 0.00 0.00 178.83 175.83 3dfs n SER 45 N -4.14 0.24 -0.24 -0.69 3.41 -0.03 -1.78 113.62 110.40 3dfs n SER 45 Ca -0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 3dfs n SER 45 Cb 0.39 -0.62 0.12 0.00 -0.26 0.00 0.00 64.21 63.84 3dfs n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dfs n ILE 46 N -1.79 1.51 -4.00 -1.33 -5.35 -0.90 -5.01 119.36 102.50 3dfs n ILE 46 Ca 0.02 -1.90 -0.29 0.00 -0.27 0.00 0.00 62.75 60.30 3dfs n ILE 46 Cb 0.13 -0.07 -0.01 0.00 -1.74 0.00 0.00 39.64 37.95 3dfs n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfs n GLY 47 N -1.09 -0.36 3.24 3.28 0.00 -0.74 -4.61 105.19 104.91 3dfs n GLY 47 Ca 0.13 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3dfs n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfs s THR 48 N -3.56 2.49 0.22 2.61 2.01 -0.28 -4.99 115.64 114.12 3dfs s THR 48 Ca 0.39 -0.84 -0.32 0.00 0.31 0.00 0.00 61.69 61.23 3dfs s THR 48 Cb -0.20 -2.03 -0.13 0.00 0.01 0.00 0.00 72.50 70.15 3dfs s THR 48 CO 0.88 0.53 1.63 1.21 -0.69 0.00 0.00 174.62 178.18 3dfs n GLU 49 N 3.98 2.54 -2.15 4.92 2.13 -1.26 -4.33 120.64 126.46 3dfs n GLU 49 Ca -0.19 0.91 -0.42 0.00 0.66 0.00 0.00 57.16 58.12 3dfs n GLU 49 Cb 0.52 -2.71 -0.00 0.00 0.27 0.00 0.00 31.44 29.52 3dfs n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3dfs n ASN 50 N 3.31 4.37 -4.75 4.31 2.85 -1.26 -4.76 115.26 119.33 3dfs n ASN 50 Ca 0.14 -2.87 -0.23 0.00 -0.11 0.00 0.00 54.58 51.51 3dfs n ASN 50 Cb 0.33 -1.70 -0.06 0.00 1.24 0.00 0.00 39.78 39.60 3dfs n ASN 50 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3dfs s THR 51 N 3.90 4.05 0.37 -0.44 -4.23 -1.26 -5.02 115.64 113.02 3dfs s THR 51 Ca 0.51 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 3dfs s THR 51 Cb 0.09 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 71.03 3dfs s THR 51 CO 0.00 -0.33 2.03 -0.08 -0.54 0.00 0.00 174.62 175.70 3dfs h GLU 52 N 1.76 0.72 -0.25 3.99 4.81 -1.99 -1.47 114.58 122.16 3dfs h GLU 52 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3dfs h GLU 52 Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3dfs h GLU 52 CO 0.61 0.48 0.05 1.49 -0.73 0.00 0.00 179.01 180.90 3dfs h GLU 53 N 0.74 0.41 -0.50 1.92 4.57 -1.96 0.23 114.58 120.00 3dfs h GLU 53 Ca 0.20 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 3dfs h GLU 53 Cb -0.08 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3dfs h GLU 53 CO -0.04 0.53 0.07 -0.91 -1.18 0.00 0.00 179.01 177.48 3dfs h ASN 54 N 0.23 0.73 -0.31 1.04 2.35 -1.76 0.35 115.58 118.21 3dfs h ASN 54 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3dfs h ASN 54 Cb 0.31 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3dfs h ASN 54 CO 0.00 0.75 -0.18 0.03 -1.65 0.00 0.00 177.43 176.38 3dfs h ARG 55 N 0.74 0.77 -0.13 0.81 3.08 -1.01 -0.07 114.38 118.58 3dfs h ARG 55 Ca 0.16 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3dfs h ARG 55 Cb 0.35 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3dfs h ARG 55 CO 0.01 0.90 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.68 3dfs h ARG 56 N 0.68 0.25 -0.66 0.04 2.43 0.26 -1.78 114.38 115.60 3dfs h ARG 56 Ca 0.10 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3dfs h ARG 56 Cb 0.68 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3dfs h ARG 56 CO 0.05 0.55 0.41 0.35 -1.51 0.00 0.00 179.97 179.82 3dfs h PHE 57 N -0.07 0.86 -0.13 2.20 3.57 -0.17 0.49 116.94 123.68 3dfs h PHE 57 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3dfs h PHE 57 Cb 0.46 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3dfs h PHE 57 CO 0.05 0.57 0.06 -0.92 -2.23 0.00 0.00 178.31 175.85 3dfs h TYR 58 N 0.90 0.19 -0.74 0.41 3.20 -0.97 0.11 116.97 120.07 3dfs h TYR 58 Ca 0.24 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3dfs h TYR 58 Cb -0.05 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3dfs h TYR 58 CO -0.02 0.25 0.37 0.00 -1.64 0.00 0.00 178.16 177.13 3dfs h ARG 59 N 0.08 1.05 -0.86 1.82 -0.00 -1.14 -2.02 114.38 113.31 3dfs h ARG 59 Ca 0.04 -0.14 0.03 0.00 -0.50 0.00 0.00 59.98 59.41 3dfs h ARG 59 Cb 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 29.97 29.86 3dfs h ARG 59 CO -0.01 0.81 0.56 0.37 0.00 0.00 0.00 179.97 181.70 3dfs h GLN 60 N 1.03 1.05 -0.72 0.04 4.15 -0.64 0.82 115.11 120.85 3dfs h GLN 60 Ca 0.26 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.68 3dfs h GLN 60 Cb 0.09 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.48 3dfs h GLN 60 CO -0.04 0.70 0.41 1.25 -1.93 0.00 0.00 178.83 179.22 3dfs h LEU 61 N 1.09 0.60 -0.01 -2.39 6.46 -0.27 0.17 115.31 120.96 3dfs h LEU 61 Ca 0.34 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 3dfs h LEU 61 Cb -0.01 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 3dfs h LEU 61 CO -0.11 0.38 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.99 3dfs h LEU 62 N 0.74 0.04 -1.69 2.25 3.38 -0.87 -3.22 115.31 115.93 3dfs h LEU 62 Ca 0.33 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3dfs h LEU 62 Cb 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dfs h LEU 62 CO -0.20 0.70 -0.18 -0.07 0.09 0.00 0.00 178.44 178.79 3dfs h LEU 63 N -0.63 0.00 -3.34 1.67 3.38 -0.66 -2.81 115.31 112.92 3dfs h LEU 63 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dfs h LEU 63 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3dfs h LEU 63 CO 0.01 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.07 3dfs n THR 64 N -4.09 2.47 -1.23 0.22 -2.24 0.58 -4.79 114.28 105.20 3dfs n THR 64 Ca -0.02 -1.29 -0.33 0.00 -2.27 0.00 0.00 64.05 60.14 3dfs n THR 64 Cb 0.26 -0.23 0.11 0.00 -2.10 0.00 0.00 70.33 68.37 3dfs n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dfs s ALA 65 N -2.53 1.95 1.01 6.98 0.00 -1.06 -4.94 121.76 123.17 3dfs s ALA 65 Ca 0.51 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 3dfs s ALA 65 Cb 0.38 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 20.20 3dfs s ALA 65 CO 0.16 -2.13 0.92 -0.40 0.00 0.00 0.00 175.76 174.32 3dfs n ASP 66 N -3.14 -0.78 0.07 0.00 5.68 -1.26 -4.84 116.55 112.28 3dfs n ASP 66 Ca 0.13 0.21 0.02 0.00 -0.50 0.00 0.00 54.79 54.66 3dfs n ASP 66 Cb 0.51 -1.34 0.13 0.00 -1.14 0.00 0.00 41.12 39.27 3dfs n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dfs n ASP 67 N -3.81 0.12 0.24 -1.12 10.43 -1.26 -2.28 116.55 118.88 3dfs n ASP 67 Ca 0.08 0.37 0.08 0.00 2.57 0.00 0.00 54.79 57.89 3dfs n ASP 67 Cb 0.53 -0.34 0.59 0.00 1.84 0.00 0.00 41.12 43.74 3dfs n ASP 67 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3dfs h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -2.47 114.38 111.74 3dfs h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dfs h ARG 68 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3dfs h ARG 68 CO 0.00 0.15 0.00 -0.39 -1.07 0.00 0.00 179.97 178.66 3dfs h VAL 69 N 0.00 0.00 -0.60 2.04 -1.51 -1.79 -3.37 116.25 111.02 3dfs h VAL 69 Ca -0.00 -0.88 0.11 0.00 -1.23 0.00 0.00 66.70 64.69 3dfs h VAL 69 Cb 0.30 1.88 -0.12 0.00 -2.13 0.00 0.00 31.29 31.23 3dfs h VAL 69 CO 0.02 0.00 -0.32 0.78 -1.23 0.00 0.00 177.57 176.82 3dfs h ASN 70 N 0.00 -1.12 0.43 4.19 4.21 -1.65 0.22 115.58 121.86 3dfs h ASN 70 Ca 0.00 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3dfs h ASN 70 Cb 0.89 0.57 0.00 0.00 -1.12 0.00 0.00 38.32 38.65 3dfs h ASN 70 CO 0.00 -0.30 0.00 -0.81 -1.29 0.00 0.00 177.43 175.03 3dfs n PRO 71 N -5.44 0.35 -0.05 0.81 -0.04 -1.26 -3.23 135.00 126.14 3dfs n PRO 71 Ca 0.05 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 3dfs n PRO 71 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 3dfs n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dfs s ILE 73 N -2.61 4.08 -0.20 0.00 -1.09 -0.25 -1.06 121.20 120.06 3dfs s ILE 73 Ca -0.07 -1.01 0.22 0.00 -2.23 0.00 0.00 60.65 57.56 3dfs s ILE 73 Cb 0.07 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 3dfs s ILE 73 CO 0.83 -0.19 0.95 0.61 -1.23 0.00 0.00 174.94 175.91 3dfs n GLY 74 N 4.88 -1.39 3.44 6.18 0.00 0.63 -4.36 105.19 114.58 3dfs n GLY 74 Ca -0.12 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3dfs n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfs s GLY 75 N -4.42 -0.51 -0.09 -0.02 0.00 -1.11 -1.20 107.32 99.97 3dfs s GLY 75 Ca -0.02 0.87 -0.01 0.00 0.00 0.00 0.00 44.72 45.57 3dfs s GLY 75 CO 0.81 0.54 -0.04 0.14 0.00 0.00 0.00 173.10 174.55 3dfs s VAL 76 N -2.08 0.74 -0.12 1.40 1.01 -0.21 -1.32 120.40 119.82 3dfs s VAL 76 Ca -0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3dfs s VAL 76 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3dfs s VAL 76 CO 0.02 0.32 0.58 -0.63 0.00 0.00 0.00 175.10 175.38 3dfs s ILE 77 N 1.75 5.10 0.22 2.22 1.01 -0.36 -0.21 121.20 130.93 3dfs s ILE 77 Ca 0.04 1.16 0.11 0.00 0.00 0.00 0.00 60.65 61.95 3dfs s ILE 77 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3dfs s ILE 77 CO -0.06 0.25 -0.16 -0.76 0.00 0.00 0.00 174.94 174.21 3dfs s LEU 78 N 1.01 2.72 0.35 2.97 1.43 0.22 -1.68 118.68 125.69 3dfs s LEU 78 Ca 0.30 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 3dfs s LEU 78 Cb -0.16 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 3dfs s LEU 78 CO 0.13 0.08 0.68 0.12 0.23 0.00 0.00 176.35 177.59 3dfs s PHE 79 N -1.98 3.46 0.23 0.29 5.36 -1.26 -1.90 117.98 122.18 3dfs s PHE 79 Ca 0.26 0.91 -0.16 0.00 -0.96 0.00 0.00 56.93 56.98 3dfs s PHE 79 Cb -0.07 -2.32 0.26 0.00 -0.34 0.00 0.00 43.02 40.55 3dfs s PHE 79 CO 0.14 0.03 1.57 1.25 -1.46 0.00 0.00 175.22 176.74 3dfs h HIS 80 N 1.56 -0.86 -0.47 10.12 6.17 -1.92 -1.48 115.15 128.26 3dfs h HIS 80 Ca -0.47 0.09 0.09 0.00 0.71 0.00 0.00 60.37 60.79 3dfs h HIS 80 Cb 1.19 0.51 -0.09 0.00 2.52 0.00 0.00 27.41 31.54 3dfs h HIS 80 CO 0.60 -0.39 -0.12 1.49 0.71 0.00 0.00 177.93 180.22 3dfs h GLU 81 N -0.04 0.00 0.00 5.26 4.81 -1.97 -2.36 114.58 120.28 3dfs h GLU 81 Ca 0.35 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 3dfs h GLU 81 Cb 0.61 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3dfs h GLU 81 CO -0.90 0.00 -0.32 1.15 -0.73 0.00 0.00 179.01 178.21 3dfs h THR 82 N 0.00 1.18 0.00 0.32 2.02 -1.67 -2.61 112.91 112.16 3dfs h THR 82 Ca 0.23 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3dfs h THR 82 Cb 0.34 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3dfs h THR 82 CO -0.48 0.31 -0.05 0.25 0.37 0.00 0.00 175.52 175.92 3dfs h LEU 83 N 0.00 0.00 -2.91 2.58 5.85 -1.11 -2.45 115.31 117.27 3dfs h LEU 83 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dfs h LEU 83 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3dfs h LEU 83 CO 0.04 0.05 0.00 -1.22 -0.34 0.00 0.00 178.44 176.97 3dfs n TYR 84 N -3.73 0.68 -3.18 1.25 4.01 -0.99 -4.58 117.16 110.62 3dfs n TYR 84 Ca -0.02 -0.54 -0.21 0.00 -0.16 0.00 0.00 57.90 56.96 3dfs n TYR 84 Cb 0.15 -0.06 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3dfs n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dfs s GLN 85 N -1.22 3.06 0.18 -0.72 -0.21 -0.93 -4.99 119.66 114.83 3dfs s GLN 85 Ca 0.32 -0.74 0.08 0.00 0.02 0.00 0.00 55.36 55.04 3dfs s GLN 85 Cb 0.18 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3dfs s GLN 85 CO 0.19 -0.15 -0.17 0.15 -2.12 0.00 0.00 175.29 173.20 3dfs s LYS 86 N -4.40 1.28 0.78 2.91 1.02 -1.26 -1.73 119.74 118.33 3dfs s LYS 86 Ca 0.47 -1.46 -0.12 0.00 0.02 0.00 0.00 55.97 54.88 3dfs s LYS 86 Cb -0.10 -1.23 0.06 0.00 -0.52 0.00 0.00 37.83 36.04 3dfs s LYS 86 CO 0.35 0.23 1.13 0.00 -0.92 0.00 0.00 175.35 176.15 3dfs s ALA 87 N -2.39 2.60 0.42 5.17 0.00 0.06 -4.88 121.76 122.75 3dfs s ALA 87 Ca 0.18 -0.46 0.16 0.00 0.00 0.00 0.00 51.96 51.84 3dfs s ALA 87 Cb -0.04 -3.01 1.06 0.00 0.00 0.00 0.00 23.12 21.12 3dfs s ALA 87 CO 0.07 -1.54 1.88 -0.44 0.00 0.00 0.00 175.76 175.73 3dfs h ASP 88 N -0.95 0.42 0.00 0.00 3.32 -1.99 0.24 116.42 117.45 3dfs h ASP 88 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3dfs h ASP 88 Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3dfs h ASP 88 CO 0.64 0.19 0.00 -0.90 -1.72 0.00 0.00 179.24 177.45 3dfs n ASP 89 N -4.50 0.00 0.00 6.45 3.85 -1.26 -4.87 116.55 116.22 3dfs n ASP 89 Ca 0.17 -1.21 0.00 0.00 -0.71 0.00 0.00 54.79 53.04 3dfs n ASP 89 Cb 0.62 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 3dfs n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dfs n GLY 90 N 0.61 1.42 3.70 6.12 0.00 0.84 -5.04 105.19 112.84 3dfs n GLY 90 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3dfs n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfs s ARG 91 N -0.57 4.38 0.37 1.61 0.52 -1.26 -4.67 118.95 119.33 3dfs s ARG 91 Ca 0.00 1.80 -0.28 0.00 -0.52 0.00 0.00 55.73 56.73 3dfs s ARG 91 Cb 0.00 -3.42 -0.11 0.00 0.52 0.00 0.00 34.95 31.94 3dfs s ARG 91 CO 0.00 -0.36 1.49 -2.30 0.02 0.00 0.00 175.30 174.14 3dfs n PRO 92 N 4.45 2.64 -0.35 3.54 -0.02 -1.26 -0.76 135.00 143.23 3dfs n PRO 92 Ca 0.10 0.93 0.13 0.00 -2.02 0.00 0.00 63.50 62.64 3dfs n PRO 92 Cb 0.46 -2.65 0.32 0.00 -0.02 0.00 0.00 33.50 31.60 3dfs n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3dfs h PHE 93 N 3.12 1.07 -0.82 6.00 0.04 -1.61 0.55 116.94 125.30 3dfs h PHE 93 Ca -0.50 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.36 3dfs h PHE 93 Cb 1.24 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 3dfs h PHE 93 CO 0.53 0.25 0.53 -1.35 -0.60 0.00 0.00 178.31 177.68 3dfs h PRO 94 N 0.77 0.89 -0.41 1.51 0.11 -1.85 -1.29 132.00 131.74 3dfs h PRO 94 Ca 0.57 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.53 3dfs h PRO 94 Cb 0.88 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 3dfs h PRO 94 CO -0.37 0.59 -0.16 0.37 -0.21 0.00 0.00 178.00 178.22 3dfs h GLN 95 N 0.92 0.76 -0.22 1.05 4.15 -1.26 -1.66 115.11 118.86 3dfs h GLN 95 Ca 0.35 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3dfs h GLN 95 Cb 0.19 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3dfs h GLN 95 CO -0.12 0.88 0.10 0.28 -1.93 0.00 0.00 178.83 178.04 3dfs h VAL 96 N 0.68 1.14 0.01 2.39 2.07 -0.73 -0.94 116.25 120.87 3dfs h VAL 96 Ca 0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3dfs h VAL 96 Cb 0.64 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3dfs h VAL 96 CO 0.05 0.14 -0.00 0.40 0.02 0.00 0.00 177.57 178.17 3dfs h ILE 97 N 0.22 0.99 -0.30 4.57 2.04 -1.11 -2.84 117.51 121.08 3dfs h ILE 97 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3dfs h ILE 97 Cb 0.13 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3dfs h ILE 97 CO -0.01 0.00 -0.02 0.11 0.00 0.00 0.00 178.15 178.23 3dfs h LYS 98 N -0.01 0.47 0.00 2.37 1.57 -1.24 -1.07 116.57 118.66 3dfs h LYS 98 Ca -0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dfs h LYS 98 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3dfs h LYS 98 CO -0.00 0.51 -0.02 0.66 -0.57 0.00 0.00 179.45 180.04 3dfs h SER 99 N 0.45 0.00 -0.68 0.86 4.64 -0.94 -1.00 113.55 116.88 3dfs h SER 99 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3dfs h SER 99 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3dfs h SER 99 CO 0.01 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3dfs n LYS 100 N -3.14 2.72 -0.73 4.77 5.02 -0.78 -4.93 118.16 121.10 3dfs n LYS 100 Ca -0.01 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 3dfs n LYS 100 Cb 0.23 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3dfs n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfs n GLY 101 N 1.54 0.60 3.94 0.72 0.00 -0.38 -4.59 105.19 107.03 3dfs n GLY 101 Ca 0.23 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3dfs n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfs s GLY 102 N -2.29 1.57 -0.09 -0.02 0.00 -0.48 -4.80 107.32 101.21 3dfs s GLY 102 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 3dfs s GLY 102 CO 0.00 -1.10 0.26 0.14 0.00 0.00 0.00 173.10 172.40 3dfs s VAL 103 N -1.81 5.30 -0.12 1.40 1.01 -0.34 -3.61 120.40 122.22 3dfs s VAL 103 Ca 0.34 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 3dfs s VAL 103 Cb -0.10 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3dfs s VAL 103 CO 0.28 0.55 0.58 -0.69 0.00 0.00 0.00 175.10 175.82 3dfs s VAL 104 N -0.69 5.11 0.28 2.92 1.01 -1.26 -1.04 120.40 126.73 3dfs s VAL 104 Ca 0.18 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.41 3dfs s VAL 104 Cb -0.14 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3dfs s VAL 104 CO 0.07 0.25 -0.08 -0.83 0.00 0.00 0.00 175.10 174.51 3dfs s GLY 105 N 0.83 1.79 -0.02 4.51 0.00 0.71 -0.71 107.32 114.42 3dfs s GLY 105 Ca 0.30 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.25 3dfs s GLY 105 CO 0.13 -1.84 -0.01 -1.50 0.00 0.00 0.00 173.10 169.88 3dfs s ILE 106 N -2.42 0.17 -0.05 0.90 1.10 -0.38 -0.61 121.20 119.92 3dfs s ILE 106 Ca 0.31 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.16 3dfs s ILE 106 Cb -0.05 -0.22 -0.02 0.00 0.15 0.00 0.00 42.46 42.32 3dfs s ILE 106 CO 0.18 0.10 1.00 -0.75 -2.11 0.00 0.00 174.94 173.36 3dfs s LYS 107 N 0.52 4.49 0.00 3.50 2.20 -0.80 -1.17 119.74 128.48 3dfs s LYS 107 Ca -0.05 1.41 0.02 0.00 -0.36 0.00 0.00 55.97 57.00 3dfs s LYS 107 Cb -0.08 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3dfs s LYS 107 CO -0.01 -0.18 0.22 1.33 -0.36 0.00 0.00 175.35 176.35 3dfs n VAL 108 N 4.21 0.00 -1.68 4.02 0.24 -0.51 -4.64 118.33 119.97 3dfs n VAL 108 Ca 0.07 -0.46 -0.31 0.00 -2.04 0.00 0.00 64.34 61.61 3dfs n VAL 108 Cb 0.50 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.93 3dfs n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dfs s ASP 109 N -0.97 5.52 -0.41 -1.34 1.47 -1.25 -4.87 116.67 114.83 3dfs s ASP 109 Ca 0.01 1.48 0.05 0.00 1.18 0.00 0.00 52.55 55.27 3dfs s ASP 109 Cb 0.02 -2.38 0.47 0.00 -0.34 0.00 0.00 42.92 40.69 3dfs s ASP 109 CO 0.08 -1.34 1.51 0.29 0.68 0.00 0.00 175.17 176.40 3dfs n LYS 110 N -3.05 2.93 0.00 2.11 5.02 0.68 -4.96 118.16 120.89 3dfs n LYS 110 Ca 0.07 -3.68 0.00 0.00 -2.02 0.00 0.00 58.31 52.68 3dfs n LYS 110 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3dfs n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfs n GLY 111 N -0.87 -1.89 3.87 0.72 0.00 -1.26 -4.69 105.19 101.08 3dfs n GLY 111 Ca 0.48 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3dfs n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dfs s VAL 112 N -1.96 4.70 0.03 1.61 -7.23 -1.26 -1.71 120.40 114.58 3dfs s VAL 112 Ca 0.00 0.81 0.02 0.00 -1.81 0.00 0.00 61.98 61.00 3dfs s VAL 112 Cb 0.00 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 3dfs s VAL 112 CO 0.00 -0.69 -0.06 0.68 -0.31 0.00 0.00 175.10 174.72 3dfs s VAL 113 N -2.59 0.43 0.27 1.32 -7.23 -0.31 -4.87 120.40 107.41 3dfs s VAL 113 Ca 0.54 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 3dfs s VAL 113 Cb -0.10 -0.49 -0.10 0.00 0.56 0.00 0.00 36.38 36.25 3dfs s VAL 113 CO 0.35 -0.32 1.29 -2.16 -0.31 0.00 0.00 175.10 173.95 3dfs s PRO 114 N -1.30 4.40 -0.42 4.82 0.04 -1.26 -1.61 135.00 139.67 3dfs s PRO 114 Ca -0.09 2.11 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 3dfs s PRO 114 Cb -0.09 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.34 3dfs s PRO 114 CO 0.00 -0.17 0.53 -0.51 0.04 0.00 0.00 177.00 176.89 3dfs s LEU 115 N -1.05 4.66 0.50 -3.56 1.43 -0.49 -4.85 118.68 115.33 3dfs s LEU 115 Ca 0.52 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 3dfs s LEU 115 Cb -0.38 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 3dfs s LEU 115 CO 0.45 -0.65 1.40 0.00 0.23 0.00 0.00 176.35 177.78 3dfs s ALA 116 N 2.45 3.02 0.00 4.21 0.00 -1.26 -2.77 121.76 127.41 3dfs s ALA 116 Ca 0.17 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3dfs s ALA 116 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3dfs s ALA 116 CO 0.16 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.01 3dfs n GLY 117 N 0.65 0.52 3.54 0.00 0.00 -1.26 -5.04 105.19 103.61 3dfs n GLY 117 Ca 0.08 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3dfs n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfs s THR 118 N -2.00 2.13 -1.33 2.61 -4.23 -1.11 -5.05 115.64 106.66 3dfs s THR 118 Ca 0.00 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.22 3dfs s THR 118 Cb 0.00 -2.69 0.11 0.00 1.34 0.00 0.00 72.50 71.26 3dfs s THR 118 CO 0.00 -0.17 1.91 -3.20 -0.54 0.00 0.00 174.62 172.62 3dfs n ASN 119 N -0.80 4.68 -1.22 3.99 4.05 -1.26 -4.45 115.26 120.25 3dfs n ASN 119 Ca -0.05 -2.98 -0.12 0.00 0.45 0.00 0.00 54.58 51.88 3dfs n ASN 119 Cb 0.64 -1.59 -0.02 0.00 1.23 0.00 0.00 39.78 40.04 3dfs n ASN 119 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dfs n GLY 120 N 3.77 0.41 3.94 8.20 0.00 -1.26 -5.02 105.19 115.23 3dfs n GLY 120 Ca 0.45 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3dfs n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfs s GLU 121 N -4.02 3.14 0.24 1.61 2.02 -1.26 -4.99 118.70 115.44 3dfs s GLU 121 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.70 3dfs s GLU 121 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 3dfs s GLU 121 CO 0.00 -0.30 0.13 0.95 0.02 0.00 0.00 175.26 176.06 3dfs s THR 122 N -2.64 0.20 0.31 3.63 -4.23 -1.26 -1.40 115.64 110.26 3dfs s THR 122 Ca 0.48 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3dfs s THR 122 Cb -0.10 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 3dfs s THR 122 CO 0.40 0.00 0.13 1.07 -0.54 0.00 0.00 174.62 175.68 3dfs n THR 123 N -0.38 0.00 -4.76 3.99 5.66 -0.63 -4.80 114.28 113.36 3dfs n THR 123 Ca 0.02 -1.89 -0.26 0.00 -3.05 0.00 0.00 64.05 58.87 3dfs n THR 123 Cb 0.66 0.73 -0.15 0.00 -1.55 0.00 0.00 70.33 70.02 3dfs n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3dfs s THR 124 N -2.82 1.63 0.40 1.09 2.01 -1.26 -1.16 115.64 115.53 3dfs s THR 124 Ca 0.19 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.19 3dfs s THR 124 Cb 0.01 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3dfs s THR 124 CO 0.13 0.29 0.32 0.00 -0.69 0.00 0.00 174.62 174.67 3dfs s GLN 125 N -0.93 2.50 0.00 4.92 -2.07 -0.69 -4.91 119.66 118.48 3dfs s GLN 125 Ca 0.07 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 52.07 3dfs s GLN 125 Cb -0.08 -2.32 0.00 0.00 -1.09 0.00 0.00 33.01 29.52 3dfs s GLN 125 CO 0.01 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.27 3dfs n GLY 126 N -1.45 -0.39 0.12 2.60 0.00 -1.26 -0.23 105.19 104.58 3dfs n GLY 126 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3dfs n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfs h LEU 127 N 0.00 0.00 -9.46 0.99 3.38 -1.91 -3.41 115.31 104.90 3dfs h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3dfs h LEU 127 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3dfs h LEU 127 CO 0.00 0.67 1.14 0.47 0.09 0.00 0.00 178.44 180.81 3dfs n ASP 128 N -3.37 4.07 -0.77 -0.43 8.00 -1.26 -1.54 116.55 121.25 3dfs n ASP 128 Ca 0.01 0.96 -0.10 0.00 0.71 0.00 0.00 54.79 56.37 3dfs n ASP 128 Cb 0.76 -1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.28 3dfs n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfs n GLY 129 N 4.32 1.04 0.33 0.44 0.00 -1.26 -4.88 105.19 105.18 3dfs n GLY 129 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3dfs n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dfs h LEU 130 N 0.00 0.86 -0.50 0.99 5.85 -1.51 -2.42 115.31 118.56 3dfs h LEU 130 Ca -0.21 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3dfs h LEU 130 Cb 0.99 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3dfs h LEU 130 CO 0.30 0.74 0.33 -1.28 -0.34 0.00 0.00 178.44 178.19 3dfs h SER 131 N 0.94 0.58 -0.65 1.25 0.87 -1.90 0.31 113.55 114.95 3dfs h SER 131 Ca 0.23 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 3dfs h SER 131 Cb 0.12 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3dfs h SER 131 CO -0.03 0.43 0.13 -0.33 -0.53 0.00 0.00 176.83 176.50 3dfs h GLU 132 N 0.68 1.08 -0.36 2.24 3.07 -1.92 -1.61 114.58 117.76 3dfs h GLU 132 Ca 0.18 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 3dfs h GLU 132 Cb -0.07 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3dfs h GLU 132 CO -0.04 0.97 0.14 0.00 -1.40 0.00 0.00 179.01 178.68 3dfs h ARG 133 N 1.02 0.54 -0.76 2.33 3.08 -0.93 -1.26 114.38 118.40 3dfs h ARG 133 Ca 0.21 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3dfs h ARG 133 Cb 0.40 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3dfs h ARG 133 CO 0.01 0.53 0.34 0.00 -1.07 0.00 0.00 179.97 179.78 3dfs h ALA 135 N 1.29 0.55 -0.34 0.00 0.00 -1.04 0.29 119.26 120.01 3dfs h ALA 135 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3dfs h ALA 135 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dfs h ALA 135 CO -0.03 0.17 0.06 0.37 0.00 0.00 0.00 179.25 179.82 3dfs h GLN 136 N 0.54 0.56 -0.86 0.00 5.75 -0.73 -1.79 115.11 118.58 3dfs h GLN 136 Ca 0.14 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3dfs h GLN 136 Cb 0.22 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 3dfs h GLN 136 CO -0.01 0.64 0.44 1.88 -2.65 0.00 0.00 178.83 179.13 3dfs h TYR 137 N 0.40 1.21 -0.08 3.99 0.05 -0.44 -0.85 116.97 121.25 3dfs h TYR 137 Ca 0.11 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3dfs h TYR 137 Cb 0.34 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 3dfs h TYR 137 CO 0.02 0.85 0.05 -0.22 -1.05 0.00 0.00 178.16 177.81 3dfs h LYS 138 N 1.21 0.11 -0.47 4.88 1.63 -0.77 -0.93 116.57 122.23 3dfs h LYS 138 Ca 0.30 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.14 3dfs h LYS 138 Cb 0.08 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3dfs h LYS 138 CO -0.04 0.13 0.32 -0.22 -3.45 0.00 0.00 179.45 176.18 3dfs h LYS 139 N 0.06 0.40 -0.75 1.90 3.64 -0.93 -2.31 116.57 118.60 3dfs h LYS 139 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dfs h LYS 139 Cb 0.05 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3dfs h LYS 139 CO -0.01 0.27 0.02 -0.25 -2.27 0.00 0.00 179.45 177.21 3dfs n ASP 140 N -4.48 4.00 0.00 4.20 8.00 -0.36 -4.91 116.55 123.01 3dfs n ASP 140 Ca 0.06 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.95 3dfs n ASP 140 Cb 0.24 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3dfs n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfs n GLY 141 N 0.36 0.45 3.79 0.44 0.00 -0.87 -4.96 105.19 104.40 3dfs n GLY 141 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3dfs n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfs s ALA 142 N -2.02 3.50 -0.04 4.61 0.00 -0.43 -4.42 121.76 122.96 3dfs s ALA 142 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3dfs s ALA 142 Cb 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3dfs s ALA 142 CO 0.00 0.30 0.04 -0.25 0.00 0.00 0.00 175.76 175.86 3dfs n ASP 143 N 1.83 1.17 -4.04 0.00 10.43 0.11 -4.01 116.55 122.03 3dfs n ASP 143 Ca -0.07 -0.40 -0.10 0.00 2.57 0.00 0.00 54.79 56.79 3dfs n ASP 143 Cb 0.50 1.01 -0.08 0.00 1.84 0.00 0.00 41.12 44.39 3dfs n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3dfs s PHE 144 N -1.34 0.60 0.21 1.24 -0.71 -1.18 -1.27 117.98 115.54 3dfs s PHE 144 Ca 0.00 -0.97 -0.01 0.00 -1.04 0.00 0.00 56.93 54.91 3dfs s PHE 144 Cb 0.01 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 3dfs s PHE 144 CO 0.05 -0.63 0.12 0.00 -1.34 0.00 0.00 175.22 173.42 3dfs s ALA 145 N -4.00 1.27 0.00 1.99 0.00 -0.08 -1.24 121.76 119.69 3dfs s ALA 145 Ca 0.20 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.46 3dfs s ALA 145 Cb 0.05 1.30 -0.01 0.00 0.00 0.00 0.00 23.12 24.46 3dfs s ALA 145 CO 0.01 -0.56 -0.07 0.21 0.00 0.00 0.00 175.76 175.35 3dfs s LYS 146 N -4.13 0.56 -0.03 0.00 2.20 -0.32 -1.37 119.74 116.66 3dfs s LYS 146 Ca 0.38 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 3dfs s LYS 146 Cb 0.07 -0.53 0.03 0.00 -1.51 0.00 0.00 37.83 35.89 3dfs s LYS 146 CO 0.12 0.14 0.05 -0.46 -0.36 0.00 0.00 175.35 174.84 3dfs s TRP 147 N -0.28 0.04 -0.19 4.03 -0.11 -1.24 -1.43 118.94 119.76 3dfs s TRP 147 Ca 0.02 0.22 -0.05 0.00 1.22 0.00 0.00 56.10 57.50 3dfs s TRP 147 Cb -0.03 -0.38 -0.03 0.00 -1.50 0.00 0.00 33.47 31.53 3dfs s TRP 147 CO -0.00 -0.15 0.01 0.50 -4.62 0.00 0.00 176.95 172.69 3dfs s ARG 148 N 1.75 3.71 0.05 5.86 3.52 -1.26 -2.99 118.95 129.58 3dfs s ARG 148 Ca -0.00 -0.48 0.05 0.00 -0.13 0.00 0.00 55.73 55.17 3dfs s ARG 148 Cb -0.12 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3dfs s ARG 148 CO -0.03 0.09 -0.09 0.00 -0.81 0.00 0.00 175.30 174.46 3dfs s VAL 150 N -1.08 1.41 0.10 0.00 1.01 -1.26 -1.79 120.40 118.80 3dfs s VAL 150 Ca 0.19 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3dfs s VAL 150 Cb -0.11 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3dfs s VAL 150 CO 0.10 0.42 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 3dfs s LEU 151 N 0.66 2.29 -0.02 3.92 1.43 0.37 -4.50 118.68 122.84 3dfs s LEU 151 Ca -0.14 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 3dfs s LEU 151 Cb -0.16 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3dfs s LEU 151 CO 0.04 0.12 -0.22 -0.75 0.23 0.00 0.00 176.35 175.76 3dfs s LYS 152 N -1.85 1.81 -0.25 1.70 2.47 -1.26 -0.73 119.74 121.63 3dfs s LYS 152 Ca 0.09 -0.79 -0.18 0.00 -1.56 0.00 0.00 55.97 53.53 3dfs s LYS 152 Cb -0.10 -1.74 -0.03 0.00 -1.46 0.00 0.00 37.83 34.50 3dfs s LYS 152 CO 0.04 0.47 0.50 0.42 0.16 0.00 0.00 175.35 176.94 3dfs s ILE 153 N -0.50 5.09 0.17 5.43 1.01 -1.26 -2.04 121.20 129.10 3dfs s ILE 153 Ca 0.08 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.56 3dfs s ILE 153 Cb -0.09 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3dfs s ILE 153 CO -0.01 0.12 0.29 0.61 0.00 0.00 0.00 174.94 175.95 3dfs n GLY 154 N 4.29 2.12 0.28 6.18 0.00 0.03 -4.80 105.19 113.29 3dfs n GLY 154 Ca -0.05 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.72 3dfs n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dfs h GLU 155 N 0.00 0.31 0.00 1.61 5.08 -2.01 -2.80 114.58 116.77 3dfs h GLU 155 Ca -0.14 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dfs h GLU 155 Cb 0.56 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3dfs h GLU 155 CO 0.18 0.20 -0.06 0.72 -1.00 0.00 0.00 179.01 179.06 3dfs n HIS 156 N -5.11 0.00 -4.13 4.33 8.25 -1.26 -5.05 115.22 112.24 3dfs n HIS 156 Ca 0.15 -0.89 -0.13 0.00 -0.26 0.00 0.00 57.72 56.59 3dfs n HIS 156 Cb 0.47 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 3dfs n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dfs s THR 157 N -2.56 0.74 0.19 1.59 -4.23 -1.06 -3.71 115.64 106.61 3dfs s THR 157 Ca 0.28 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 3dfs s THR 157 Cb 0.25 -1.13 -0.08 0.00 1.34 0.00 0.00 72.50 72.88 3dfs s THR 157 CO 0.03 -0.54 1.14 -2.16 -0.54 0.00 0.00 174.62 172.55 3dfs s PRO 158 N -2.51 4.55 0.80 3.99 0.04 -0.86 -0.79 135.00 140.22 3dfs s PRO 158 Ca 0.01 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 3dfs s PRO 158 Cb -0.04 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.32 3dfs s PRO 158 CO -0.01 0.01 1.12 -1.54 0.04 0.00 0.00 177.00 176.62 3dfs s SER 159 N -0.05 4.52 0.23 6.66 1.04 -1.24 -4.84 113.70 120.02 3dfs s SER 159 Ca 0.51 1.11 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 3dfs s SER 159 Cb -0.31 -1.79 0.27 0.00 0.10 0.00 0.00 66.02 64.29 3dfs s SER 159 CO 0.36 -1.93 1.87 0.00 0.98 0.00 0.00 173.24 174.52 3dfs h ALA 160 N -1.06 1.12 0.22 5.32 0.00 -1.99 -1.21 119.26 121.66 3dfs h ALA 160 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3dfs h ALA 160 Cb 1.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dfs h ALA 160 CO 0.62 0.34 -0.11 1.25 0.00 0.00 0.00 179.25 181.36 3dfs h LEU 161 N 1.02 -0.25 -0.77 0.00 5.85 -1.99 -0.49 115.31 118.68 3dfs h LEU 161 Ca 0.34 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3dfs h LEU 161 Cb 0.05 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3dfs h LEU 161 CO -0.13 -0.15 0.50 0.00 -0.34 0.00 0.00 178.44 178.32 3dfs h ALA 162 N 0.44 0.99 -0.12 1.25 0.00 -1.87 0.27 119.26 120.22 3dfs h ALA 162 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dfs h ALA 162 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dfs h ALA 162 CO 0.05 0.36 0.04 0.82 0.00 0.00 0.00 179.25 180.51 3dfs h ILE 163 N 1.01 1.17 -0.08 0.00 2.04 -1.12 -1.62 117.51 118.91 3dfs h ILE 163 Ca 0.29 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3dfs h ILE 163 Cb -0.07 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3dfs h ILE 163 CO -0.08 0.16 0.03 -0.03 0.00 0.00 0.00 178.15 178.23 3dfs h MET 164 N 0.01 0.12 -0.24 2.37 4.05 -0.72 -2.15 114.93 118.36 3dfs h MET 164 Ca 0.04 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3dfs h MET 164 Cb 0.21 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3dfs h MET 164 CO -0.00 0.24 0.09 1.49 0.23 0.00 0.00 176.91 178.95 3dfs h GLU 165 N -0.02 0.37 -0.57 0.39 4.57 -0.49 -1.43 114.58 117.40 3dfs h GLU 165 Ca 0.03 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3dfs h GLU 165 Cb 0.16 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3dfs h GLU 165 CO -0.00 0.44 0.14 -0.91 -1.18 0.00 0.00 179.01 177.49 3dfs h ASN 166 N 0.23 0.83 -0.50 1.04 2.35 -1.32 -0.28 115.58 117.93 3dfs h ASN 166 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 3dfs h ASN 166 Cb 0.21 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3dfs h ASN 166 CO -0.00 0.81 -0.12 0.00 -1.65 0.00 0.00 177.43 176.47 3dfs h ALA 167 N 1.30 0.80 -0.33 -0.83 0.00 -1.27 -1.88 119.26 117.05 3dfs h ALA 167 Ca 0.18 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3dfs h ALA 167 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dfs h ALA 167 CO -0.00 0.66 -0.07 -0.97 0.00 0.00 0.00 179.25 178.87 3dfs h ASN 168 N 0.88 0.63 0.22 0.00 -1.24 -0.77 -2.04 115.58 113.26 3dfs h ASN 168 Ca 0.14 -0.36 -0.09 0.00 0.71 0.00 0.00 56.30 56.70 3dfs h ASN 168 Cb 0.67 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 3dfs h ASN 168 CO 0.05 0.84 -0.35 1.62 -1.29 0.00 0.00 177.43 178.30 3dfs h VAL 169 N 0.41 1.28 -0.55 2.57 3.04 -1.00 -1.70 116.25 120.30 3dfs h VAL 169 Ca 0.08 -1.33 -0.08 0.00 -1.01 0.00 0.00 66.70 64.36 3dfs h VAL 169 Cb 0.56 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 3dfs h VAL 169 CO 0.03 0.40 0.03 -0.07 -1.01 0.00 0.00 177.57 176.95 3dfs h LEU 170 N 0.16 0.88 -0.49 3.16 3.38 -1.18 -1.68 115.31 119.54 3dfs h LEU 170 Ca 0.02 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3dfs h LEU 170 Cb 0.70 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dfs h LEU 170 CO 0.05 0.92 -0.14 0.00 0.09 0.00 0.00 178.44 179.36 3dfs h ALA 171 N 1.18 0.68 -0.29 1.53 0.00 -0.76 -1.04 119.26 120.56 3dfs h ALA 171 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dfs h ALA 171 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dfs h ALA 171 CO 0.02 0.61 0.14 0.00 0.00 0.00 0.00 179.25 180.02 3dfs h ARG 172 N 0.82 0.41 -0.50 0.00 2.47 -1.11 -0.55 114.38 115.92 3dfs h ARG 172 Ca 0.12 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3dfs h ARG 172 Cb 0.70 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 3dfs h ARG 172 CO 0.05 0.39 0.31 -0.92 0.56 0.00 0.00 179.97 180.36 3dfs h TYR 173 N 0.33 0.57 -0.81 3.04 3.20 -1.21 -1.81 116.97 120.29 3dfs h TYR 173 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3dfs h TYR 173 Cb 0.12 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3dfs h TYR 173 CO -0.02 0.34 0.42 0.00 -1.64 0.00 0.00 178.16 177.26 3dfs h ALA 174 N 1.21 1.04 0.10 1.82 0.00 -0.94 -1.75 119.26 120.74 3dfs h ALA 174 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dfs h ALA 174 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3dfs h ALA 174 CO -0.08 0.56 -0.05 1.03 0.00 0.00 0.00 179.25 180.72 3dfs h SER 175 N 1.13 -0.11 -0.71 0.00 0.87 -0.63 -1.93 113.55 112.17 3dfs h SER 175 Ca 0.28 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3dfs h SER 175 Cb 0.06 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3dfs h SER 175 CO -0.04 0.00 0.45 0.40 -0.53 0.00 0.00 176.83 177.11 3dfs h ILE 176 N -0.22 1.10 0.20 2.23 2.04 -1.22 -2.36 117.51 119.29 3dfs h ILE 176 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3dfs h ILE 176 Cb 0.18 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3dfs h ILE 176 CO 0.02 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 178.14 3dfs h GLN 178 N -0.42 0.00 0.00 0.00 4.20 -1.09 0.10 115.11 117.90 3dfs h GLN 178 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dfs h GLN 178 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3dfs h GLN 178 CO -0.04 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.08 3dfs h GLN 179 N 0.00 0.00 -0.21 1.46 1.08 -1.02 -3.12 115.11 113.30 3dfs h GLN 179 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dfs h GLN 179 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3dfs h GLN 179 CO -0.00 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.97 3dfs n ASN 180 N -2.71 3.47 -0.87 1.46 4.13 0.28 -4.96 115.26 116.06 3dfs n ASN 180 Ca 0.02 -2.93 -0.10 0.00 1.68 0.00 0.00 54.58 53.25 3dfs n ASN 180 Cb 0.34 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 38.06 3dfs n ASN 180 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dfs n GLY 181 N -0.61 0.78 3.42 7.41 0.00 -1.11 -4.77 105.19 110.31 3dfs n GLY 181 Ca 0.19 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3dfs n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfs s ILE 182 N -2.41 3.65 -0.19 -0.61 -1.09 -0.78 -4.85 121.20 114.93 3dfs s ILE 182 Ca 0.00 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 3dfs s ILE 182 Cb 0.00 -2.61 -0.00 0.00 -1.58 0.00 0.00 42.46 38.27 3dfs s ILE 182 CO 0.00 0.47 1.12 -0.69 -1.23 0.00 0.00 174.94 174.61 3dfs s VAL 183 N 0.73 4.52 -0.06 2.92 1.01 -0.39 -3.12 120.40 126.01 3dfs s VAL 183 Ca -0.02 1.84 -0.22 0.00 0.00 0.00 0.00 61.98 63.57 3dfs s VAL 183 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3dfs s VAL 183 CO 0.02 -0.14 0.66 -2.16 0.00 0.00 0.00 175.10 173.48 3dfs s PRO 184 N 3.15 4.41 -0.33 2.72 0.04 -1.26 -0.90 135.00 142.83 3dfs s PRO 184 Ca 0.49 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 3dfs s PRO 184 Cb -0.18 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 3dfs s PRO 184 CO 0.11 0.12 0.44 0.42 0.04 0.00 0.00 177.00 178.13 3dfs s ILE 185 N 0.63 5.09 -0.43 0.56 1.01 -0.47 -2.51 121.20 125.08 3dfs s ILE 185 Ca 0.35 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 61.04 3dfs s ILE 185 Cb -0.17 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3dfs s ILE 185 CO 0.17 -0.11 0.87 -0.69 0.00 0.00 0.00 174.94 175.18 3dfs s VAL 186 N 2.21 4.58 -0.46 2.92 1.01 -0.10 -3.61 120.40 126.94 3dfs s VAL 186 Ca 0.16 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 3dfs s VAL 186 Cb -0.16 -4.35 0.12 0.00 0.00 0.00 0.00 36.38 31.99 3dfs s VAL 186 CO 0.12 -0.70 0.24 -0.70 0.00 0.00 0.00 175.10 174.06 3dfs s GLU 187 N 3.49 2.02 -1.08 2.72 2.12 -1.16 -0.67 118.70 126.15 3dfs s GLU 187 Ca 0.34 -2.11 -0.07 0.00 0.36 0.00 0.00 54.97 53.50 3dfs s GLU 187 Cb -0.11 -3.51 0.27 0.00 0.26 0.00 0.00 34.13 31.04 3dfs s GLU 187 CO 0.23 -1.07 1.10 -0.35 -0.54 0.00 0.00 175.26 174.62 3dfs n PRO 188 N 4.06 3.48 -2.51 4.30 -0.04 -1.24 -1.21 135.00 141.86 3dfs n PRO 188 Ca 0.02 -4.48 -0.43 0.00 -0.04 0.00 0.00 63.50 58.58 3dfs n PRO 188 Cb 0.39 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 3dfs n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dfs s GLU 189 N -1.48 4.32 -0.38 0.54 2.12 -0.74 -4.54 118.70 118.54 3dfs s GLU 189 Ca 0.31 1.59 -0.14 0.00 0.36 0.00 0.00 54.97 57.08 3dfs s GLU 189 Cb -0.08 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.69 3dfs s GLU 189 CO -0.07 -0.52 0.29 0.42 -0.54 0.00 0.00 175.26 174.84 3dfs s ILE 190 N 2.66 5.25 0.62 -3.70 1.01 -1.26 -0.48 121.20 125.31 3dfs s ILE 190 Ca 0.53 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 3dfs s ILE 190 Cb -0.22 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3dfs s ILE 190 CO 0.17 -0.20 1.10 0.18 0.00 0.00 0.00 174.94 176.20 3dfs n LEU 191 N 5.18 4.66 -0.24 2.97 4.77 0.09 -4.84 117.00 129.60 3dfs n LEU 191 Ca -0.11 0.81 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 3dfs n LEU 191 Cb 0.48 -1.46 0.59 0.00 -2.33 0.00 0.00 43.42 40.70 3dfs n LEU 191 CO 0.40 -1.51 0.87 -0.81 -1.33 0.00 0.00 177.39 175.00 3dfs n PRO 192 N -1.38 1.07 -1.72 3.23 -0.04 -1.26 -4.55 135.00 130.36 3dfs n PRO 192 Ca 0.15 -0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 62.70 3dfs n PRO 192 Cb 0.48 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3dfs n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dfs n ASP 193 N -0.55 3.25 0.00 3.54 10.43 -1.26 -0.30 116.55 131.66 3dfs n ASP 193 Ca 0.17 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.71 3dfs n ASP 193 Cb 0.29 -1.52 0.00 0.00 1.84 0.00 0.00 41.12 41.72 3dfs n ASP 193 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dfs n GLY 194 N 1.48 2.40 1.36 0.44 0.00 -1.26 -4.60 105.19 105.00 3dfs n GLY 194 Ca 0.07 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 44.03 3dfs n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dfs n ASP 195 N 0.00 4.31 -4.71 1.61 5.75 -1.26 -0.75 116.55 121.50 3dfs n ASP 195 Ca 0.00 -2.36 -0.31 0.00 -0.01 0.00 0.00 54.79 52.11 3dfs n ASP 195 Cb 0.00 -0.51 0.14 0.00 -1.03 0.00 0.00 41.12 39.71 3dfs n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dfs s HIS 196 N -1.66 1.98 0.50 2.11 -3.43 -1.26 -4.24 115.29 109.28 3dfs s HIS 196 Ca 0.46 1.71 0.04 0.00 -0.80 0.00 0.00 55.06 56.47 3dfs s HIS 196 Cb 0.29 -3.24 0.09 0.00 -1.43 0.00 0.00 32.58 28.29 3dfs s HIS 196 CO 0.24 -2.43 0.68 -0.40 -2.00 0.00 0.00 174.74 170.83 3dfs n ASP 197 N -3.95 1.38 -0.27 7.38 5.68 -1.26 -0.58 116.55 124.92 3dfs n ASP 197 Ca 0.11 -2.05 -0.05 0.00 -0.50 0.00 0.00 54.79 52.29 3dfs n ASP 197 Cb 0.52 -0.40 0.06 0.00 -1.14 0.00 0.00 41.12 40.16 3dfs n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dfs h LEU 198 N 0.00 0.89 -0.81 -2.12 5.85 -1.92 -2.49 115.31 114.71 3dfs h LEU 198 Ca -0.23 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3dfs h LEU 198 Cb 0.95 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3dfs h LEU 198 CO 0.29 0.69 0.53 0.11 -0.34 0.00 0.00 178.44 179.72 3dfs h LYS 199 N 1.01 1.03 -0.55 1.25 1.57 -1.95 -1.44 116.57 117.49 3dfs h LYS 199 Ca 0.27 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3dfs h LYS 199 Cb -0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3dfs h LYS 199 CO -0.05 0.68 0.19 -0.09 -0.57 0.00 0.00 179.45 179.61 3dfs h ARG 200 N 1.06 0.84 -0.63 3.15 9.65 -1.87 -1.30 114.38 125.28 3dfs h ARG 200 Ca 0.31 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3dfs h ARG 200 Cb -0.07 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 3dfs h ARG 200 CO -0.09 0.76 0.14 0.00 2.80 0.00 0.00 179.97 183.58 3dfs h GLN 202 N 0.93 0.99 0.33 0.00 4.15 -1.05 0.11 115.11 120.56 3dfs h GLN 202 Ca 0.20 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3dfs h GLN 202 Cb 0.37 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3dfs h GLN 202 CO 0.00 0.87 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.69 3dfs h TYR 203 N 0.92 -0.41 -0.87 3.99 3.20 -1.05 -0.71 116.97 122.05 3dfs h TYR 203 Ca 0.21 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3dfs h TYR 203 Cb 0.29 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3dfs h TYR 203 CO 0.02 -0.23 0.44 0.28 -1.64 0.00 0.00 178.16 177.03 3dfs h VAL 204 N -0.48 1.26 -0.46 1.81 2.07 -1.21 -1.55 116.25 117.69 3dfs h VAL 204 Ca -0.05 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3dfs h VAL 204 Cb 0.36 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3dfs h VAL 204 CO 0.07 0.30 0.23 0.74 0.02 0.00 0.00 177.57 178.94 3dfs h THR 205 N 1.22 1.18 -0.53 2.57 2.02 -0.65 0.26 112.91 118.99 3dfs h THR 205 Ca 0.30 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3dfs h THR 205 Cb 0.08 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3dfs h THR 205 CO -0.04 0.19 0.34 -0.33 0.37 0.00 0.00 175.52 176.05 3dfs h GLU 206 N 0.60 0.70 -0.55 6.66 5.08 -0.71 -0.56 114.58 125.79 3dfs h GLU 206 Ca 0.16 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3dfs h GLU 206 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3dfs h GLU 206 CO -0.02 0.47 -0.10 0.87 -1.00 0.00 0.00 179.01 179.23 3dfs h LYS 207 N 0.71 1.04 -0.07 2.33 1.79 -1.04 -1.57 116.57 119.76 3dfs h LYS 207 Ca 0.19 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3dfs h LYS 207 Cb -0.06 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 3dfs h LYS 207 CO -0.04 1.07 0.02 0.28 -1.08 0.00 0.00 179.45 179.71 3dfs h VAL 208 N 0.92 1.18 -0.43 0.50 2.07 -0.68 -2.18 116.25 117.63 3dfs h VAL 208 Ca 0.14 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3dfs h VAL 208 Cb 0.67 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3dfs h VAL 208 CO 0.05 0.15 0.04 -0.07 0.02 0.00 0.00 177.57 177.76 3dfs h LEU 209 N -0.09 0.64 -0.84 2.57 3.38 -1.09 0.71 115.31 120.59 3dfs h LEU 209 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3dfs h LEU 209 Cb 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3dfs h LEU 209 CO -0.00 0.68 0.40 0.00 0.09 0.00 0.00 178.44 179.61 3dfs h ALA 210 N 1.40 1.09 -0.36 1.53 0.00 -1.18 -1.21 119.26 120.53 3dfs h ALA 210 Ca 0.14 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3dfs h ALA 210 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dfs h ALA 210 CO 0.01 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 3dfs h ALA 211 N 1.21 0.50 -0.08 0.00 0.00 -0.71 -2.58 119.26 117.60 3dfs h ALA 211 Ca 0.29 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dfs h ALA 211 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dfs h ALA 211 CO -0.03 0.43 -0.04 0.28 0.00 0.00 0.00 179.25 179.88 3dfs h VAL 212 N 0.53 0.87 0.00 0.00 2.07 -0.43 -1.95 116.25 117.35 3dfs h VAL 212 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3dfs h VAL 212 Cb 0.71 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3dfs h VAL 212 CO 0.05 0.00 -0.35 1.88 0.02 0.00 0.00 177.57 179.18 3dfs h TYR 213 N -0.03 0.00 -0.32 1.57 0.05 -1.25 -1.09 116.97 115.90 3dfs h TYR 213 Ca 0.05 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.67 3dfs h TYR 213 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3dfs h TYR 213 CO -0.15 0.35 -0.43 -0.22 -1.05 0.00 0.00 178.16 176.65 3dfs h LYS 214 N 0.00 0.81 -0.55 4.88 1.63 -1.20 -1.79 116.57 120.35 3dfs h LYS 214 Ca -0.00 -0.44 -0.08 0.00 -0.85 0.00 0.00 60.65 59.27 3dfs h LYS 214 Cb 0.73 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 3dfs h LYS 214 CO 0.05 1.08 0.02 0.00 -3.45 0.00 0.00 179.45 177.14 3dfs h ALA 215 N 0.86 0.74 -0.31 5.00 0.00 -0.93 -0.77 119.26 123.85 3dfs h ALA 215 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3dfs h ALA 215 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3dfs h ALA 215 CO 0.10 0.54 -0.01 -0.07 0.00 0.00 0.00 179.25 179.81 3dfs h LEU 216 N 0.84 0.44 -0.10 0.00 3.38 -1.06 -1.42 115.31 117.38 3dfs h LEU 216 Ca 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dfs h LEU 216 Cb 0.51 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dfs h LEU 216 CO 0.02 0.51 -0.05 -1.28 0.09 0.00 0.00 178.44 177.74 3dfs h SER 217 N 0.45 0.22 -0.79 -0.43 0.87 -0.89 0.18 113.55 113.16 3dfs h SER 217 Ca 0.10 -0.41 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 3dfs h SER 217 Cb 0.31 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 3dfs h SER 217 CO 0.01 0.58 0.51 0.44 -0.53 0.00 0.00 176.83 177.84 3dfs h ASP 218 N -0.14 0.77 -0.20 6.23 3.32 -0.81 -1.03 116.42 124.56 3dfs h ASP 218 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dfs h ASP 218 Cb 0.49 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dfs h ASP 218 CO 0.01 0.51 0.00 1.41 -1.72 0.00 0.00 179.24 179.45 3dfs n HIS 219 N -4.47 0.27 -3.43 4.55 8.25 -0.56 -4.94 115.22 114.88 3dfs n HIS 219 Ca 0.11 -0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 3dfs n HIS 219 Cb 0.19 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.37 3dfs n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dfs n HIS 220 N 0.18 -2.45 -2.62 4.41 8.25 -0.39 -4.90 115.22 117.70 3dfs n HIS 220 Ca 0.12 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 58.05 3dfs n HIS 220 Cb 0.25 -4.53 -0.05 0.00 1.12 0.00 0.00 29.99 26.78 3dfs n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dfs s ILE 221 N -3.28 4.03 -0.75 1.59 -1.09 0.58 -4.92 121.20 117.37 3dfs s ILE 221 Ca 0.46 1.83 -0.23 0.00 -2.23 0.00 0.00 60.65 60.48 3dfs s ILE 221 Cb -0.20 -4.17 0.07 0.00 -1.58 0.00 0.00 42.46 36.58 3dfs s ILE 221 CO 0.63 0.35 1.10 -0.47 -1.23 0.00 0.00 174.94 175.32 3dfs s TYR 222 N -0.53 2.64 0.29 3.97 5.04 -1.26 -4.83 117.35 122.68 3dfs s TYR 222 Ca 0.46 -0.59 -0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3dfs s TYR 222 Cb -0.27 -4.40 0.50 0.00 0.35 0.00 0.00 41.96 38.14 3dfs s TYR 222 CO 0.34 -1.74 1.89 -0.07 -1.34 0.00 0.00 175.55 174.63 3dfs h LEU 223 N 11.69 0.95 -2.69 6.97 3.38 -1.94 -1.07 115.31 132.61 3dfs h LEU 223 Ca -0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3dfs h LEU 223 Cb 1.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dfs h LEU 223 CO 1.21 0.60 0.00 -0.33 0.09 0.00 0.00 178.44 180.01 3dfs h GLU 224 N 1.07 0.00 -0.80 1.13 3.07 -1.90 -1.56 114.58 115.59 3dfs h GLU 224 Ca 0.42 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.82 3dfs h GLU 224 Cb 0.23 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 27.88 3dfs h GLU 224 CO -0.17 0.00 0.39 0.41 -1.40 0.00 0.00 179.01 178.24 3dfs n GLY 225 N -0.91 4.99 3.19 -3.84 0.00 -0.41 -4.34 105.19 103.86 3dfs n GLY 225 Ca -0.02 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3dfs n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfs s THR 226 N -3.64 0.03 0.07 2.61 -4.23 -0.59 -4.07 115.64 105.82 3dfs s THR 226 Ca 0.54 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3dfs s THR 226 Cb 0.46 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3dfs s THR 226 CO 0.05 -0.14 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.14 3dfs s LEU 227 N -3.12 2.36 -0.13 4.79 1.43 -1.04 -3.66 118.68 119.29 3dfs s LEU 227 Ca 0.34 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3dfs s LEU 227 Cb 0.07 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 46.10 3dfs s LEU 227 CO 0.09 -0.28 -0.15 -0.22 0.23 0.00 0.00 176.35 176.02 3dfs s LEU 228 N -2.16 2.61 -0.62 1.79 2.96 -0.54 -0.93 118.68 121.81 3dfs s LEU 228 Ca -0.01 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3dfs s LEU 228 Cb -0.04 -1.58 0.15 0.00 0.50 0.00 0.00 46.19 45.22 3dfs s LEU 228 CO -0.01 0.15 0.39 -0.75 -1.32 0.00 0.00 176.35 174.82 3dfs s LYS 229 N 0.41 2.30 0.44 1.98 2.20 0.16 0.09 119.74 127.32 3dfs s LYS 229 Ca -0.11 -2.89 0.08 0.00 -0.36 0.00 0.00 55.97 52.68 3dfs s LYS 229 Cb -0.16 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3dfs s LYS 229 CO 0.05 -1.18 0.48 -1.25 -0.36 0.00 0.00 175.35 173.09 3dfs s PRO 230 N -0.71 2.57 0.53 4.03 0.04 -1.26 -3.62 135.00 136.58 3dfs s PRO 230 Ca 0.20 -1.50 -0.16 0.00 0.04 0.00 0.00 61.00 59.58 3dfs s PRO 230 Cb -0.17 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 3dfs s PRO 230 CO -0.06 -0.32 0.99 0.54 0.04 0.00 0.00 177.00 178.19 3dfs s ASN 231 N -4.26 6.57 0.77 6.66 4.22 -1.26 -2.59 114.94 125.04 3dfs s ASN 231 Ca 0.50 1.55 -0.12 0.00 -2.14 0.00 0.00 52.86 52.66 3dfs s ASN 231 Cb -0.05 -2.50 0.05 0.00 1.28 0.00 0.00 41.25 40.03 3dfs s ASN 231 CO 0.30 -0.63 1.11 -0.04 -2.04 0.00 0.00 177.10 175.80 3dfs s MET 232 N -4.23 2.34 -0.34 3.55 -1.94 -1.26 -4.95 119.30 112.47 3dfs s MET 232 Ca 0.58 0.47 -0.20 0.00 -1.71 0.00 0.00 55.69 54.83 3dfs s MET 232 Cb -0.10 -1.96 -0.00 0.00 2.01 0.00 0.00 34.83 34.78 3dfs s MET 232 CO 0.34 -1.40 0.64 0.08 -0.01 0.00 0.00 175.02 174.67 3dfs s VAL 233 N -3.30 4.91 0.14 -6.03 1.01 -1.26 -5.02 120.40 110.83 3dfs s VAL 233 Ca 0.60 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 63.23 3dfs s VAL 233 Cb -0.13 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3dfs s VAL 233 CO 0.52 -0.25 0.16 0.42 0.00 0.00 0.00 175.10 175.96 3dfs s THR 234 N 2.68 0.10 0.86 3.92 -4.23 -1.26 -4.51 115.64 113.19 3dfs s THR 234 Ca 0.25 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 3dfs s THR 234 Cb -0.15 -1.88 0.11 0.00 1.34 0.00 0.00 72.50 71.92 3dfs s THR 234 CO 0.14 -0.43 1.10 -2.16 -0.54 0.00 0.00 174.62 172.72 3dfs s PRO 235 N -3.99 1.55 0.81 3.99 0.04 -1.26 -4.56 135.00 131.57 3dfs s PRO 235 Ca 0.19 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 3dfs s PRO 235 Cb 0.05 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.81 3dfs s PRO 235 CO -0.01 -1.98 1.10 0.20 0.04 0.00 0.00 177.00 176.35 3dfs s GLY 236 N -3.76 1.67 0.54 0.56 0.00 0.25 -4.91 107.32 101.68 3dfs s GLY 236 Ca 0.62 0.30 0.21 0.00 0.00 0.00 0.00 44.72 45.85 3dfs s GLY 236 CO 0.55 0.67 2.17 0.45 0.00 0.00 0.00 173.10 176.94 3dfs h HIS 237 N -1.29 0.00 -0.54 1.90 3.86 -0.19 -2.24 115.15 116.66 3dfs h HIS 237 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3dfs h HIS 237 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3dfs h HIS 237 CO 0.56 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.35 3dfs n ALA 238 N -2.48 3.49 -2.68 2.45 0.00 0.07 -4.96 120.51 116.40 3dfs n ALA 238 Ca -0.02 -1.89 -0.42 0.00 0.00 0.00 0.00 53.44 51.11 3dfs n ALA 238 Cb 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3dfs n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dfs n THR 240 N 3.98 0.16 -3.00 0.00 -2.24 -1.26 -4.80 114.28 107.12 3dfs n THR 240 Ca 0.07 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3dfs n THR 240 Cb 0.50 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 3dfs n THR 240 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3dfs s GLN 241 N -3.03 4.51 0.03 -0.78 0.74 -1.26 -5.06 119.66 114.82 3dfs s GLN 241 Ca 0.12 1.09 -0.04 0.00 0.05 0.00 0.00 55.36 56.59 3dfs s GLN 241 Cb 0.17 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 3dfs s GLN 241 CO 0.57 0.43 0.25 0.15 -0.55 0.00 0.00 175.29 176.14 3dfs s LYS 242 N -0.59 3.52 0.06 1.67 -0.14 -1.26 -5.02 119.74 117.98 3dfs s LYS 242 Ca 0.37 -0.22 0.03 0.00 -1.36 0.00 0.00 55.97 54.78 3dfs s LYS 242 Cb -0.22 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 3dfs s LYS 242 CO 0.24 0.62 -0.09 0.71 -0.76 0.00 0.00 175.35 176.07 3dfs s TYR 243 N -1.40 0.82 0.55 3.18 1.51 -1.26 -5.15 117.35 115.60 3dfs s TYR 243 Ca 0.31 -0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3dfs s TYR 243 Cb -0.13 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 3dfs s TYR 243 CO 0.21 -0.06 0.86 -1.54 -1.11 0.00 0.00 175.55 173.91 3dfs s SER 244 N -1.85 5.87 0.46 2.29 1.04 -1.26 -4.94 113.70 115.31 3dfs s SER 244 Ca -0.05 0.82 0.13 0.00 0.48 0.00 0.00 55.95 57.33 3dfs s SER 244 Cb -0.08 -1.94 1.06 0.00 0.10 0.00 0.00 66.02 65.16 3dfs s SER 244 CO 0.00 -0.88 2.06 0.45 0.98 0.00 0.00 173.24 175.86 3dfs h HIS 245 N -0.03 0.14 -0.23 5.02 3.86 -1.99 -1.60 115.15 120.31 3dfs h HIS 245 Ca -0.46 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.64 3dfs h HIS 245 Cb 1.23 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 3dfs h HIS 245 CO 0.52 0.16 -0.34 0.93 0.86 0.00 0.00 177.93 180.07 3dfs h GLU 246 N 0.14 0.48 -0.20 2.45 3.07 -1.93 -0.41 114.58 118.17 3dfs h GLU 246 Ca 0.03 -0.21 -0.17 0.00 -0.50 0.00 0.00 59.36 58.51 3dfs h GLU 246 Cb 0.12 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3dfs h GLU 246 CO 0.00 0.75 -0.57 0.93 -1.40 0.00 0.00 179.01 178.72 3dfs h GLU 247 N 0.41 0.64 -0.35 2.33 5.08 -1.69 -0.32 114.58 120.67 3dfs h GLU 247 Ca 0.05 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3dfs h GLU 247 Cb 0.78 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3dfs h GLU 247 CO 0.06 1.03 0.07 0.82 -1.00 0.00 0.00 179.01 179.99 3dfs h ILE 248 N 0.48 1.23 -0.77 3.13 2.04 -1.14 -1.47 117.51 121.01 3dfs h ILE 248 Ca 0.00 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3dfs h ILE 248 Cb 1.14 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3dfs h ILE 248 CO 0.11 0.27 0.39 0.00 0.00 0.00 0.00 178.15 178.92 3dfs h ALA 249 N 0.91 0.99 -0.38 1.87 0.00 -0.95 -1.09 119.26 120.61 3dfs h ALA 249 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3dfs h ALA 249 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dfs h ALA 249 CO 0.00 0.54 0.01 1.98 0.00 0.00 0.00 179.25 181.79 3dfs h MET 250 N 1.08 0.67 -0.52 0.00 1.85 -0.86 -1.08 114.93 116.07 3dfs h MET 250 Ca 0.27 -0.21 -0.09 0.00 -0.61 0.00 0.00 59.70 59.06 3dfs h MET 250 Cb 0.09 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3dfs h MET 250 CO -0.04 0.76 -0.02 0.00 -0.40 0.00 0.00 176.91 177.22 3dfs h ALA 251 N 0.89 0.70 0.27 0.39 0.00 -1.12 -0.95 119.26 119.43 3dfs h ALA 251 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dfs h ALA 251 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dfs h ALA 251 CO 0.02 0.53 -0.13 1.15 0.00 0.00 0.00 179.25 180.82 3dfs h THR 252 N 0.79 0.78 -0.53 0.00 2.02 -1.12 -0.96 112.91 113.89 3dfs h THR 252 Ca 0.14 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3dfs h THR 252 Cb 0.55 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3dfs h THR 252 CO 0.03 0.07 0.09 0.58 0.37 0.00 0.00 175.52 176.66 3dfs h VAL 253 N -0.53 1.23 -0.28 3.16 2.07 -1.22 -1.69 116.25 119.00 3dfs h VAL 253 Ca -0.04 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3dfs h VAL 253 Cb 0.39 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3dfs h VAL 253 CO 0.06 0.33 0.05 0.74 0.02 0.00 0.00 177.57 178.77 3dfs h THR 254 N 0.80 1.23 -0.47 2.57 2.02 -1.13 -0.18 112.91 117.74 3dfs h THR 254 Ca 0.17 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.62 3dfs h THR 254 Cb 0.35 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3dfs h THR 254 CO 0.01 0.25 0.26 0.00 0.37 0.00 0.00 175.52 176.40 3dfs h ALA 255 N 0.88 0.60 -0.46 6.16 0.00 -0.88 -2.34 119.26 123.22 3dfs h ALA 255 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dfs h ALA 255 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dfs h ALA 255 CO 0.00 -0.07 -0.01 -0.07 0.00 0.00 0.00 179.25 179.10 3dfs h LEU 256 N 0.52 0.81 -2.01 0.00 3.38 -1.19 -3.00 115.31 113.82 3dfs h LEU 256 Ca 0.20 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dfs h LEU 256 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3dfs h LEU 256 CO -0.11 0.93 -0.02 0.03 0.09 0.00 0.00 178.44 179.36 3dfs h ARG 257 N 0.67 0.00 -0.00 1.13 3.08 -0.73 0.11 114.38 118.64 3dfs h ARG 257 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3dfs h ARG 257 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3dfs h ARG 257 CO 0.03 0.02 -0.21 0.54 -1.07 0.00 0.00 179.97 179.28 3dfs n ARG 258 N -4.43 0.57 0.00 0.04 1.74 -0.91 -4.55 116.66 109.12 3dfs n ARG 258 Ca -0.03 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3dfs n ARG 258 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3dfs n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dfs n THR 259 N -0.99 0.00 -3.17 0.55 -2.24 -0.84 -5.00 114.28 102.60 3dfs n THR 259 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 3dfs n THR 259 Cb 0.31 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 3dfs n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dfs s VAL 260 N -0.90 4.92 0.44 2.28 1.01 0.33 -4.76 120.40 123.71 3dfs s VAL 260 Ca 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 3dfs s VAL 260 Cb 0.00 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 3dfs s VAL 260 CO 0.00 -0.41 1.29 -2.65 0.00 0.00 0.00 175.10 173.33 3dfs n PRO 261 N 6.00 1.92 0.08 2.72 -0.02 -1.26 -4.84 135.00 139.61 3dfs n PRO 261 Ca -0.03 0.69 0.19 0.00 -2.02 0.00 0.00 63.50 62.33 3dfs n PRO 261 Cb 0.48 -2.42 0.73 0.00 -0.02 0.00 0.00 33.50 32.27 3dfs n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dfs h PRO 262 N 2.02 0.00 0.00 0.52 0.11 -1.96 -1.47 132.00 131.21 3dfs h PRO 262 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3dfs h PRO 262 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dfs h PRO 262 CO 0.60 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.34 3dfs h ALA 263 N 1.70 1.30 -2.43 -0.75 0.00 -1.91 -3.42 119.26 113.74 3dfs h ALA 263 Ca 0.19 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 3dfs h ALA 263 Cb 0.87 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3dfs h ALA 263 CO -0.00 0.05 1.08 0.08 0.00 0.00 0.00 179.25 180.45 3dfs s VAL 264 N -4.33 2.95 0.31 0.00 1.01 -0.56 -3.18 120.40 116.60 3dfs s VAL 264 Ca -0.04 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3dfs s VAL 264 Cb 0.14 -3.20 0.17 0.00 0.00 0.00 0.00 36.38 33.48 3dfs s VAL 264 CO 0.53 -0.01 1.87 0.74 0.00 0.00 0.00 175.10 178.23 3dfs h THR 265 N 4.98 1.21 -1.92 3.92 2.02 -1.66 -3.44 112.91 118.01 3dfs h THR 265 Ca -0.44 -0.73 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3dfs h THR 265 Cb 1.21 0.70 -0.19 0.00 -1.74 0.00 0.00 68.15 68.13 3dfs h THR 265 CO 0.94 0.27 0.50 -0.83 0.37 0.00 0.00 175.52 176.77 3dfs s GLY 266 N -3.69 -0.38 -0.20 2.16 0.00 -1.26 -3.62 107.32 100.33 3dfs s GLY 266 Ca -0.09 1.50 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 3dfs s GLY 266 CO 0.78 0.70 -0.10 0.14 0.00 0.00 0.00 173.10 174.62 3dfs s VAL 267 N -2.05 2.90 -0.47 1.40 1.01 0.23 -1.46 120.40 121.95 3dfs s VAL 267 Ca 0.01 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3dfs s VAL 267 Cb -0.01 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 34.21 3dfs s VAL 267 CO -0.03 0.47 0.23 0.42 0.00 0.00 0.00 175.10 176.19 3dfs s THR 268 N 1.38 2.91 0.33 3.92 -4.23 0.11 -1.01 115.64 119.05 3dfs s THR 268 Ca 0.05 -2.71 -0.29 0.00 -1.18 0.00 0.00 61.69 57.56 3dfs s THR 268 Cb -0.14 -3.01 -0.11 0.00 1.34 0.00 0.00 72.50 70.58 3dfs s THR 268 CO -0.06 -0.74 1.50 -0.36 -0.54 0.00 0.00 174.62 174.41 3dfs s PHE 269 N 0.39 2.75 0.47 3.99 0.08 -0.73 -4.15 117.98 120.78 3dfs s PHE 269 Ca 0.13 1.05 -0.11 0.00 0.12 0.00 0.00 56.93 58.12 3dfs s PHE 269 Cb -0.22 -3.97 -0.06 0.00 -0.57 0.00 0.00 43.02 38.19 3dfs s PHE 269 CO -0.04 -3.02 0.86 -0.48 -0.10 0.00 0.00 175.22 172.44 3dfs s LEU 270 N -1.32 3.66 0.28 -0.37 0.05 -1.07 -1.56 118.68 118.36 3dfs s LEU 270 Ca 0.57 1.26 0.22 0.00 0.05 0.00 0.00 54.13 56.22 3dfs s LEU 270 Cb -0.46 -4.19 0.11 0.00 -2.05 0.00 0.00 46.19 39.61 3dfs s LEU 270 CO 0.54 -0.54 1.23 0.77 -0.55 0.00 0.00 176.35 177.80 3dfs h SER 271 N 0.79 0.00 -6.80 1.48 4.64 -1.92 -3.42 113.55 108.32 3dfs h SER 271 Ca -0.47 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.31 3dfs h SER 271 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.99 3dfs h SER 271 CO 0.63 0.03 -0.80 0.61 -0.87 0.00 0.00 176.83 176.43 3dfs n GLY 272 N 1.16 -0.43 0.38 -0.77 0.00 -1.26 -1.12 105.19 103.16 3dfs n GLY 272 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3dfs n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfs n GLY 273 N -1.13 1.17 3.74 -0.02 0.00 -1.26 -4.83 105.19 102.86 3dfs n GLY 273 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3dfs n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dfs s GLN 274 N -0.88 2.62 0.93 1.61 -0.21 -0.27 -4.99 119.66 118.46 3dfs s GLN 274 Ca 0.00 1.74 -0.12 0.00 0.02 0.00 0.00 55.36 57.00 3dfs s GLN 274 Cb 0.00 -1.89 0.15 0.00 1.00 0.00 0.00 33.01 32.26 3dfs s GLN 274 CO 0.00 -1.46 1.10 -1.54 -2.12 0.00 0.00 175.29 171.27 3dfs s SER 275 N -1.90 3.24 0.14 5.90 1.04 -1.26 -4.62 113.70 116.23 3dfs s SER 275 Ca 0.75 1.32 -0.20 0.00 0.48 0.00 0.00 55.95 58.30 3dfs s SER 275 Cb -0.29 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 63.85 3dfs s SER 275 CO 0.39 -2.76 1.69 -0.33 0.98 0.00 0.00 173.24 173.21 3dfs h GLU 276 N -1.64 -0.03 -0.30 4.02 5.08 -1.89 -0.72 114.58 119.10 3dfs h GLU 276 Ca -0.51 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3dfs h GLU 276 Cb 1.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3dfs h GLU 276 CO 0.57 -0.02 -0.02 0.93 -1.00 0.00 0.00 179.01 179.47 3dfs h GLU 277 N -0.03 0.55 -0.48 2.33 4.39 -1.92 -2.51 114.58 116.90 3dfs h GLU 277 Ca 0.12 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.67 3dfs h GLU 277 Cb 0.21 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3dfs h GLU 277 CO -0.27 0.71 0.26 1.49 -1.16 0.00 0.00 179.01 180.04 3dfs h GLU 278 N 0.34 0.50 -0.82 2.33 4.81 -1.88 0.18 114.58 120.05 3dfs h GLU 278 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3dfs h GLU 278 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3dfs h GLU 278 CO 0.02 0.33 0.40 0.00 -0.73 0.00 0.00 179.01 179.03 3dfs h ALA 279 N 1.24 1.06 -0.22 2.92 0.00 -1.11 -0.76 119.26 122.39 3dfs h ALA 279 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3dfs h ALA 279 Cb 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3dfs h ALA 279 CO -0.12 0.62 -0.18 0.77 0.00 0.00 0.00 179.25 180.33 3dfs h SER 280 N 1.16 0.54 -0.73 0.00 0.02 -0.95 -2.07 113.55 111.51 3dfs h SER 280 Ca 0.28 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3dfs h SER 280 Cb 0.11 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3dfs h SER 280 CO -0.04 0.88 0.31 0.40 -1.14 0.00 0.00 176.83 177.24 3dfs h ILE 281 N 0.20 1.25 -0.45 3.27 2.04 -0.50 -1.26 117.51 122.05 3dfs h ILE 281 Ca 0.04 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.00 3dfs h ILE 281 Cb 0.72 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3dfs h ILE 281 CO 0.05 0.31 -0.25 0.78 0.00 0.00 0.00 178.15 179.04 3dfs h ASN 282 N 1.05 0.98 -0.27 1.72 2.35 -1.14 -1.46 115.58 118.80 3dfs h ASN 282 Ca 0.25 -0.38 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 3dfs h ASN 282 Cb 0.19 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3dfs h ASN 282 CO -0.02 1.17 -0.08 0.25 -1.65 0.00 0.00 177.43 177.09 3dfs h LEU 283 N 0.81 0.64 -0.20 1.61 5.85 -1.16 -0.72 115.31 122.14 3dfs h LEU 283 Ca 0.10 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3dfs h LEU 283 Cb 0.82 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3dfs h LEU 283 CO 0.07 0.77 0.07 -1.13 -0.34 0.00 0.00 178.44 177.88 3dfs h ASN 284 N 0.61 0.28 -0.78 1.25 -1.24 -1.01 -1.87 115.58 112.83 3dfs h ASN 284 Ca 0.11 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 3dfs h ASN 284 Cb 0.51 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 3dfs h ASN 284 CO 0.03 0.39 0.41 0.00 -1.29 0.00 0.00 177.43 176.97 3dfs h ALA 285 N 0.90 1.24 -0.74 1.57 0.00 -0.99 -1.68 119.26 119.56 3dfs h ALA 285 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dfs h ALA 285 Cb 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3dfs h ALA 285 CO -0.00 0.60 0.43 0.82 0.00 0.00 0.00 179.25 181.10 3dfs h ILE 286 N 1.10 1.21 0.00 0.00 2.04 -0.86 -0.85 117.51 120.16 3dfs h ILE 286 Ca 0.28 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3dfs h ILE 286 Cb 0.06 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3dfs h ILE 286 CO -0.04 0.23 0.00 0.78 0.00 0.00 0.00 178.15 179.12 3dfs h ASN 287 N 1.01 0.00 0.11 1.72 2.35 -0.82 -2.93 115.58 117.02 3dfs h ASN 287 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3dfs h ASN 287 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3dfs h ASN 287 CO -0.05 0.00 -0.43 0.29 -1.65 0.00 0.00 177.43 175.59 3dfs n LYS 288 N -2.79 0.93 -1.68 0.81 5.02 -0.68 -4.77 118.16 115.00 3dfs n LYS 288 Ca 0.03 -0.69 -0.46 0.00 -2.02 0.00 0.00 58.31 55.17 3dfs n LYS 288 Cb 0.38 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 3dfs n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dfs n PRO 290 N 4.31 0.47 -4.35 0.00 -0.04 -1.26 -4.78 135.00 129.36 3dfs n PRO 290 Ca 0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 3dfs n PRO 290 Cb 0.30 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 3dfs n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dfs s LEU 291 N 0.00 2.78 -0.09 1.53 1.43 -1.26 -5.10 118.68 117.98 3dfs s LEU 291 Ca 0.00 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 3dfs s LEU 291 Cb 0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3dfs s LEU 291 CO 0.00 0.10 1.18 -0.22 0.23 0.00 0.00 176.35 177.64 3dfs s LEU 292 N -2.89 4.25 -0.29 1.79 2.96 -1.26 -5.01 118.68 118.22 3dfs s LEU 292 Ca 0.24 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.93 3dfs s LEU 292 Cb -0.08 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.14 3dfs s LEU 292 CO 0.14 -0.60 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.01 3dfs s LYS 293 N 2.42 1.76 0.00 1.98 3.01 -1.26 -4.99 119.74 122.67 3dfs s LYS 293 Ca 0.54 -1.52 0.14 0.00 -1.01 0.00 0.00 55.97 54.12 3dfs s LYS 293 Cb -0.23 -2.95 0.86 0.00 -1.01 0.00 0.00 37.83 34.50 3dfs s LYS 293 CO 0.20 -0.76 1.30 -0.35 0.51 0.00 0.00 175.35 176.25 3dfs n PRO 294 N 4.40 0.60 -4.20 -1.68 -0.04 -1.26 -4.80 135.00 128.02 3dfs n PRO 294 Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 3dfs n PRO 294 Cb 0.42 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 3dfs n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dfs s TRP 295 N -2.00 1.08 0.35 0.54 0.51 -1.26 -4.93 118.94 113.23 3dfs s TRP 295 Ca 0.22 -0.80 -0.28 0.00 -2.12 0.00 0.00 56.10 53.12 3dfs s TRP 295 Cb 0.10 -0.58 -0.10 0.00 -0.81 0.00 0.00 33.47 32.08 3dfs s TRP 295 CO 0.17 -0.02 1.30 0.00 -0.51 0.00 0.00 176.95 177.89 3dfs s ALA 296 N -3.26 3.43 -0.37 0.98 0.00 -1.24 -4.86 121.76 116.44 3dfs s ALA 296 Ca 0.13 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.37 3dfs s ALA 296 Cb 0.02 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.77 3dfs s ALA 296 CO -0.02 -0.68 0.09 -0.51 0.00 0.00 0.00 175.76 174.65 3dfs s LEU 297 N -1.96 4.49 0.00 0.00 1.43 -1.26 -0.60 118.68 120.77 3dfs s LEU 297 Ca 0.51 -2.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 3dfs s LEU 297 Cb -0.39 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3dfs s LEU 297 CO 0.52 -0.35 0.00 1.07 0.23 0.00 0.00 176.35 177.81 3dfs n THR 298 N 4.07 0.00 -4.40 5.49 5.66 -0.18 -4.67 114.28 120.26 3dfs n THR 298 Ca 0.04 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.78 3dfs n THR 298 Cb 0.40 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.08 3dfs n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dfs s PHE 299 N 0.22 2.40 -0.42 1.09 -0.71 -1.26 -1.77 117.98 117.53 3dfs s PHE 299 Ca 0.00 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 55.65 3dfs s PHE 299 Cb 0.00 -1.13 0.22 0.00 -1.21 0.00 0.00 43.02 40.90 3dfs s PHE 299 CO 0.00 0.58 0.56 0.45 -1.34 0.00 0.00 175.22 175.47 3dfs n SER 300 N -0.14 -0.85 -4.79 1.98 2.88 -0.60 0.29 113.62 112.39 3dfs n SER 300 Ca -0.09 -2.75 -0.37 0.00 -1.33 0.00 0.00 58.87 54.33 3dfs n SER 300 Cb 0.57 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 3dfs n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dfs s TYR 301 N -0.38 3.55 0.00 0.66 2.02 -0.73 -4.25 117.35 118.22 3dfs s TYR 301 Ca 0.34 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 3dfs s TYR 301 Cb 0.14 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3dfs s TYR 301 CO -0.15 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 3dfs n GLY 302 N 2.68 -0.31 0.37 0.71 0.00 -1.26 -0.73 105.19 106.65 3dfs n GLY 302 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 3dfs n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfs h ARG 303 N 0.00 1.24 0.00 1.61 3.08 -1.95 -2.56 114.38 115.80 3dfs h ARG 303 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3dfs h ARG 303 Cb 0.00 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.77 3dfs h ARG 303 CO 0.00 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 3dfs n ALA 304 N -2.39 1.79 0.20 0.04 0.00 -1.26 -1.49 120.51 117.40 3dfs n ALA 304 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.52 3dfs n ALA 304 Cb 0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3dfs n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dfs n LEU 305 N -1.32 0.20 -0.00 0.00 4.77 -0.99 -4.61 117.00 115.06 3dfs n LEU 305 Ca 0.06 -0.33 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 3dfs n LEU 305 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3dfs n LEU 305 CO 0.11 0.05 -0.45 0.00 -1.33 0.00 0.00 177.39 175.77 3dfs n GLN 306 N -1.34 1.24 -0.15 3.23 6.02 -1.00 -4.57 117.38 120.81 3dfs n GLN 306 Ca 0.00 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 3dfs n GLN 306 Cb 0.12 -1.06 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 3dfs n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dfs h ALA 307 N 0.61 -0.42 -0.55 -1.58 0.00 -1.54 0.10 119.26 115.89 3dfs h ALA 307 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dfs h ALA 307 Cb 0.24 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3dfs h ALA 307 CO 0.00 -0.60 0.09 0.77 0.00 0.00 0.00 179.25 179.51 3dfs h SER 308 N -0.10 0.82 -0.77 0.00 0.02 -1.88 -2.58 113.55 109.06 3dfs h SER 308 Ca 0.06 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3dfs h SER 308 Cb 0.26 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3dfs h SER 308 CO -0.40 0.83 0.31 0.00 -1.14 0.00 0.00 176.83 176.43 3dfs h ALA 309 N 1.27 1.01 -0.44 3.77 0.00 -1.64 0.44 119.26 123.66 3dfs h ALA 309 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dfs h ALA 309 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dfs h ALA 309 CO 0.01 0.63 0.10 1.25 0.00 0.00 0.00 179.25 181.23 3dfs h LEU 310 N 1.12 0.69 -0.75 0.00 5.85 -0.63 -1.16 115.31 120.42 3dfs h LEU 310 Ca 0.26 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3dfs h LEU 310 Cb 0.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dfs h LEU 310 CO -0.02 0.75 -0.30 0.50 -0.34 0.00 0.00 178.44 179.03 3dfs h LYS 311 N 0.59 0.60 -0.15 1.25 3.64 -1.18 -1.41 116.57 119.92 3dfs h LYS 311 Ca 0.14 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 3dfs h LYS 311 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3dfs h LYS 311 CO 0.00 0.84 -0.51 0.00 -2.27 0.00 0.00 179.45 177.51 3dfs h ALA 312 N 1.15 0.85 -0.04 5.00 0.00 -0.76 -3.22 119.26 122.24 3dfs h ALA 312 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3dfs h ALA 312 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3dfs h ALA 312 CO 0.06 0.67 -0.05 2.35 0.00 0.00 0.00 179.25 182.28 3dfs h TRP 313 N 0.32 0.13 -1.67 0.00 7.01 -1.01 -3.41 115.95 117.31 3dfs h TRP 313 Ca 0.01 -0.04 -0.28 0.00 2.11 0.00 0.00 58.89 60.69 3dfs h TRP 313 Cb 1.01 -0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 27.94 3dfs h TRP 313 CO 0.03 0.61 -0.27 0.41 -2.79 0.00 0.00 178.44 176.43 3dfs n GLY 314 N 0.35 1.06 2.61 2.65 0.00 -0.55 -0.04 105.19 111.27 3dfs n GLY 314 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3dfs n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfs n GLY 315 N -0.34 0.52 3.56 -0.02 0.00 -1.26 -4.84 105.19 102.81 3dfs n GLY 315 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3dfs n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfs s LYS 316 N -0.39 3.58 0.49 1.61 -0.14 0.94 -4.94 119.74 120.89 3dfs s LYS 316 Ca 0.00 -0.06 0.20 0.00 -1.36 0.00 0.00 55.97 54.75 3dfs s LYS 316 Cb 0.00 -3.84 1.25 0.00 -1.68 0.00 0.00 37.83 33.56 3dfs s LYS 316 CO 0.00 -0.80 2.01 -0.22 -0.76 0.00 0.00 175.35 175.58 3dfs h LYS 317 N 8.56 0.14 0.00 1.68 3.64 -1.94 0.45 116.57 129.11 3dfs h LYS 317 Ca -0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3dfs h LYS 317 Cb 1.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3dfs h LYS 317 CO 0.84 0.09 0.00 -0.85 -2.27 0.00 0.00 179.45 177.27 3dfs n GLU 318 N -4.44 0.33 -0.15 1.90 0.00 -1.26 -2.76 120.64 114.26 3dfs n GLU 318 Ca 0.08 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.43 3dfs n GLU 318 Cb 0.45 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.64 3dfs n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dfs n ASN 319 N -1.28 2.98 -0.34 -1.84 5.03 0.15 -4.66 115.26 115.31 3dfs n ASN 319 Ca 0.11 -1.93 -0.09 0.00 0.87 0.00 0.00 54.58 53.54 3dfs n ASN 319 Cb 0.18 -0.20 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 3dfs n ASN 319 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3dfs n LEU 320 N 1.19 -0.85 -0.23 3.41 7.94 -1.11 -0.87 117.00 126.48 3dfs n LEU 320 Ca 0.18 1.48 -0.06 0.00 -1.11 0.00 0.00 56.01 56.50 3dfs n LEU 320 Cb 0.54 -0.21 0.04 0.00 0.53 0.00 0.00 43.42 44.32 3dfs n LEU 320 CO 0.15 -1.19 1.12 0.11 -1.11 0.00 0.00 177.39 176.47 3dfs h LYS 321 N 0.00 0.85 -0.41 1.96 1.79 -1.89 -0.74 116.57 118.14 3dfs h LYS 321 Ca 0.13 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3dfs h LYS 321 Cb 0.33 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 3dfs h LYS 321 CO -0.75 0.59 0.24 0.00 -1.08 0.00 0.00 179.45 178.45 3dfs h ALA 322 N 1.21 0.52 0.27 3.86 0.00 -1.54 -1.31 119.26 122.28 3dfs h ALA 322 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dfs h ALA 322 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3dfs h ALA 322 CO -0.05 0.02 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 3dfs h ALA 323 N 1.10 -0.36 -0.99 0.00 0.00 -0.74 -2.84 119.26 115.44 3dfs h ALA 323 Ca 0.15 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3dfs h ALA 323 Cb 0.01 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3dfs h ALA 323 CO -0.03 -0.62 0.62 1.96 0.00 0.00 0.00 179.25 181.19 3dfs h GLN 324 N -0.53 0.92 -0.83 0.00 4.20 -1.08 -0.96 115.11 116.83 3dfs h GLN 324 Ca -0.04 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.68 3dfs h GLN 324 Cb 0.39 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3dfs h GLN 324 CO 0.06 0.61 0.54 1.49 -0.67 0.00 0.00 178.83 180.86 3dfs h GLU 325 N 0.95 0.91 -0.31 1.46 4.57 -1.06 0.10 114.58 121.20 3dfs h GLU 325 Ca 0.49 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.52 3dfs h GLU 325 Cb 0.52 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3dfs h GLU 325 CO -0.26 0.60 -0.19 0.93 -1.18 0.00 0.00 179.01 178.92 3dfs h GLU 326 N 0.93 0.68 -0.38 1.92 4.39 -0.95 -1.80 114.58 119.38 3dfs h GLU 326 Ca 0.35 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3dfs h GLU 326 Cb 0.18 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3dfs h GLU 326 CO -0.12 0.91 0.18 -0.92 -1.16 0.00 0.00 179.01 177.90 3dfs h TYR 327 N 0.44 0.55 -0.70 4.33 3.20 -1.05 -2.46 116.97 121.28 3dfs h TYR 327 Ca 0.07 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3dfs h TYR 327 Cb 0.73 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3dfs h TYR 327 CO 0.06 0.47 0.40 0.28 -1.64 0.00 0.00 178.16 177.74 3dfs h VAL 328 N 0.48 1.00 -0.72 1.81 2.07 -0.76 0.24 116.25 120.36 3dfs h VAL 328 Ca 0.13 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dfs h VAL 328 Cb 0.13 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3dfs h VAL 328 CO -0.02 0.14 0.43 0.11 0.02 0.00 0.00 177.57 178.25 3dfs h LYS 329 N 0.75 0.98 0.00 1.57 1.57 -1.04 -0.36 116.57 120.04 3dfs h LYS 329 Ca 0.31 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 3dfs h LYS 329 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3dfs h LYS 329 CO -0.17 0.69 -0.87 0.00 -0.57 0.00 0.00 179.45 178.53 3dfs h ARG 330 N 1.00 0.18 -0.35 3.15 2.47 -0.88 -1.33 114.38 118.63 3dfs h ARG 330 Ca 0.26 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3dfs h ARG 330 Cb -0.03 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3dfs h ARG 330 CO -0.05 0.94 0.09 0.00 0.56 0.00 0.00 179.97 181.51 3dfs h ALA 331 N 0.99 0.46 -0.46 0.04 0.00 -0.46 -1.18 119.26 118.64 3dfs h ALA 331 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dfs h ALA 331 Cb 1.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3dfs h ALA 331 CO 0.13 0.12 0.20 -0.07 0.00 0.00 0.00 179.25 179.64 3dfs h LEU 332 N 0.41 0.62 -0.50 0.00 3.38 -1.04 -1.46 115.31 116.72 3dfs h LEU 332 Ca 0.11 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3dfs h LEU 332 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3dfs h LEU 332 CO 0.00 0.60 0.30 0.00 0.09 0.00 0.00 178.44 179.44 3dfs h ALA 333 N 1.05 0.64 0.00 1.53 0.00 -1.02 -2.36 119.26 119.10 3dfs h ALA 333 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3dfs h ALA 333 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dfs h ALA 333 CO -0.02 0.01 -0.52 -0.91 0.00 0.00 0.00 179.25 177.81 3dfs h ASN 334 N 0.60 0.00 -0.61 0.00 2.35 -1.10 -0.78 115.58 116.06 3dfs h ASN 334 Ca 0.20 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3dfs h ASN 334 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3dfs h ASN 334 CO -0.09 0.52 0.10 -1.28 -1.65 0.00 0.00 177.43 175.03 3dfs h SER 335 N 0.00 0.96 0.09 5.81 0.87 -0.98 0.27 113.55 120.58 3dfs h SER 335 Ca -0.01 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.14 3dfs h SER 335 Cb 1.15 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3dfs h SER 335 CO 0.07 0.98 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.76 3dfs h LEU 336 N 0.91 0.52 -0.65 2.23 3.38 -1.26 -3.19 115.31 117.25 3dfs h LEU 336 Ca 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3dfs h LEU 336 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3dfs h LEU 336 CO 0.01 0.95 0.26 0.00 0.09 0.00 0.00 178.44 179.76 3dfs h ALA 337 N 1.06 0.84 0.00 1.53 0.00 -0.49 0.86 119.26 123.07 3dfs h ALA 337 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3dfs h ALA 337 Cb 1.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dfs h ALA 337 CO 0.09 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3dfs n GLN 339 N -0.67 -0.22 -2.78 0.00 6.02 -0.78 -4.69 117.38 114.25 3dfs n GLN 339 Ca 0.06 -0.39 -0.14 0.00 -0.01 0.00 0.00 57.00 56.52 3dfs n GLN 339 Cb 0.03 -0.88 0.03 0.00 1.02 0.00 0.00 30.24 30.43 3dfs n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dfs n GLY 340 N 0.08 -0.06 0.28 1.08 0.00 -0.19 -4.93 105.19 101.45 3dfs n GLY 340 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3dfs n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfs n LYS 341 N -2.84 0.94 -3.70 1.61 5.02 0.23 -4.88 118.16 114.53 3dfs n LYS 341 Ca -0.06 -2.24 -0.36 0.00 -2.02 0.00 0.00 58.31 53.63 3dfs n LYS 341 Cb 0.57 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 3dfs n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dfs s TYR 342 N -2.09 3.54 -0.16 2.13 5.04 -1.22 -4.82 117.35 119.75 3dfs s TYR 342 Ca 0.25 0.56 -0.04 0.00 -2.44 0.00 0.00 57.07 55.40 3dfs s TYR 342 Cb 0.22 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.46 3dfs s TYR 342 CO 0.01 0.49 0.15 0.95 -1.34 0.00 0.00 175.55 175.80 3dfs s THR 343 N -0.31 -0.21 0.48 4.34 -4.23 -1.26 -4.97 115.64 109.49 3dfs s THR 343 Ca 0.15 -0.04 0.32 0.00 -1.18 0.00 0.00 61.69 60.94 3dfs s THR 343 Cb -0.13 -0.55 0.51 0.00 1.34 0.00 0.00 72.50 73.68 3dfs s THR 343 CO 0.04 -0.16 1.74 -0.65 -0.54 0.00 0.00 174.62 175.04 3dfs h PRO 344 N 8.37 0.13 0.00 3.99 0.11 -1.99 -3.54 132.00 139.07 3dfs h PRO 344 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3dfs h PRO 344 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dfs h PRO 344 CO 0.26 0.08 0.00 0.45 -0.21 0.00 0.00 178.00 178.58 3dfs n SER 345 N -4.38 0.00 -3.29 -2.05 2.88 -1.26 -5.27 113.62 100.25 3dfs n SER 345 Ca 0.30 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 3dfs n SER 345 Cb 1.26 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.62 3dfs n SER 345 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3dfs n SER 359 N -0.40 0.50 0.21 -3.46 2.88 -1.26 -5.27 113.62 106.83 3dfs n SER 359 Ca 0.00 0.44 0.15 0.00 -1.33 0.00 0.00 58.87 58.13 3dfs n SER 359 Cb 0.00 -0.69 0.55 0.00 -0.75 0.00 0.00 64.21 63.32 3dfs n SER 359 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3dfs h ASN 360 N 7.34 0.00 0.38 -3.46 7.08 -2.03 -2.66 115.58 122.24 3dfs h ASN 360 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 3dfs h ASN 360 Cb 1.07 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 3dfs h ASN 360 CO 0.88 0.00 0.00 1.41 -2.08 0.00 0.00 177.43 177.64 3dfs n HIS 361 N -2.77 0.00 1.60 4.14 8.25 -1.26 -1.31 115.22 123.87 3dfs n HIS 361 Ca 0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.63 3dfs n HIS 361 Cb 0.32 -0.44 0.73 0.00 1.12 0.00 0.00 29.99 31.72 3dfs n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dfs n ALA 362 N -1.44 2.67 0.38 -1.41 0.00 -1.00 -5.31 120.51 114.39 3dfs n ALA 362 Ca 0.04 -0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.28 3dfs n ALA 362 Cb 0.14 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.22 3dfs n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16