#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dft s HIS 2 N 0.00 2.61 -0.07 0.54 3.76 -1.26 -5.13 115.29 115.75 3dft s HIS 2 Ca 0.00 -0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 3dft s HIS 2 Cb 0.00 -1.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 3dft s HIS 2 CO 0.00 0.30 0.23 0.45 -0.85 0.00 0.00 174.74 174.87 3dft s SER 3 N -1.59 6.53 -0.42 1.40 0.15 -1.26 -5.04 113.70 113.48 3dft s SER 3 Ca 0.16 0.63 0.06 0.00 0.70 0.00 0.00 55.95 57.50 3dft s SER 3 Cb -0.11 -2.13 0.21 0.00 -1.71 0.00 0.00 66.02 62.29 3dft s SER 3 CO 0.07 0.37 0.45 1.41 1.20 0.00 0.00 173.24 176.74 3dft n HIS 4 N 1.83 -0.33 -0.15 3.44 8.25 -1.26 -5.10 115.22 121.90 3dft n HIS 4 Ca -0.17 -3.50 -0.07 0.00 -0.26 0.00 0.00 57.72 53.72 3dft n HIS 4 Cb 0.54 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 3dft n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dft n PRO 5 N 2.02 0.00 0.12 -0.41 -0.02 -1.26 -4.83 135.00 130.62 3dft n PRO 5 Ca 0.25 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 3dft n PRO 5 Cb 0.50 -0.18 0.14 0.00 -0.02 0.00 0.00 33.50 33.94 3dft n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dft h ALA 6 N 1.07 0.92 -2.86 3.55 0.00 -1.99 -3.45 119.26 116.50 3dft h ALA 6 Ca -0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 54.91 53.90 3dft h ALA 6 Cb 0.17 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.68 3dft h ALA 6 CO 0.13 0.78 -0.76 -0.51 0.00 0.00 0.00 179.25 178.89 3dft s LEU 7 N -7.66 2.42 0.38 0.00 1.43 -1.26 -4.96 118.68 109.02 3dft s LEU 7 Ca -0.02 -0.83 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 3dft s LEU 7 Cb 0.12 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.77 3dft s LEU 7 CO 0.78 -0.14 0.54 0.42 0.23 0.00 0.00 176.35 178.17 3dft s THR 8 N -2.19 3.75 0.35 5.49 -4.23 -1.26 -4.92 115.64 112.63 3dft s THR 8 Ca 0.10 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 3dft s THR 8 Cb -0.05 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.79 3dft s THR 8 CO 0.03 -0.14 1.93 -0.65 -0.54 0.00 0.00 174.62 175.25 3dft h PRO 9 N 0.72 0.75 -0.40 3.99 0.11 -2.01 -0.11 132.00 135.04 3dft h PRO 9 Ca -0.44 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3dft h PRO 9 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3dft h PRO 9 CO 0.52 0.50 -0.02 0.93 -0.21 0.00 0.00 178.00 179.71 3dft h GLU 10 N 0.78 0.73 -0.63 1.05 3.07 -1.99 -0.86 114.58 116.72 3dft h GLU 10 Ca 0.36 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3dft h GLU 10 Cb 0.37 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3dft h GLU 10 CO -0.13 0.83 0.03 1.96 -1.40 0.00 0.00 179.01 180.30 3dft h GLN 11 N 0.55 1.10 -0.39 2.33 4.20 -1.74 -1.87 115.11 119.28 3dft h GLN 11 Ca 0.11 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 3dft h GLN 11 Cb 0.52 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3dft h GLN 11 CO 0.03 1.05 0.09 0.87 -0.67 0.00 0.00 178.83 180.20 3dft h LYS 12 N 1.01 0.63 -0.43 1.46 1.57 -0.92 -1.99 116.57 117.90 3dft h LYS 12 Ca 0.18 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3dft h LYS 12 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3dft h LYS 12 CO 0.03 0.66 0.22 -0.22 -0.57 0.00 0.00 179.45 179.56 3dft h LYS 13 N 0.49 0.43 -0.36 3.15 3.64 -0.98 0.62 116.57 123.56 3dft h LYS 13 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3dft h LYS 13 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3dft h LYS 13 CO 0.00 0.28 0.24 1.49 -2.27 0.00 0.00 179.45 179.19 3dft h GLU 14 N 0.44 0.48 -0.66 1.90 4.81 -1.17 -0.55 114.58 119.83 3dft h GLU 14 Ca 0.18 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3dft h GLU 14 Cb 0.08 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3dft h GLU 14 CO -0.12 0.32 0.16 -0.07 -0.73 0.00 0.00 179.01 178.57 3dft h LEU 15 N 0.49 0.99 -0.45 1.64 3.38 -1.01 -2.38 115.31 117.98 3dft h LEU 15 Ca 0.13 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dft h LEU 15 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3dft h LEU 15 CO -0.03 0.97 0.03 -1.28 0.09 0.00 0.00 178.44 178.22 3dft h SER 16 N 0.97 0.75 -0.80 -0.43 0.87 -0.59 -1.98 113.55 112.35 3dft h SER 16 Ca 0.21 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3dft h SER 16 Cb 0.36 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3dft h SER 16 CO 0.00 0.85 0.34 0.44 -0.53 0.00 0.00 176.83 177.94 3dft h ASP 17 N 0.62 1.08 0.06 6.23 3.32 -1.03 -1.85 116.42 124.85 3dft h ASP 17 Ca 0.13 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3dft h ASP 17 Cb 0.45 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3dft h ASP 17 CO 0.02 0.94 -0.03 0.40 -1.72 0.00 0.00 179.24 178.85 3dft h ILE 18 N 1.15 1.05 -0.80 0.35 2.04 -1.31 -1.68 117.51 118.30 3dft h ILE 18 Ca 0.27 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3dft h ILE 18 Cb 0.18 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3dft h ILE 18 CO -0.03 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.69 3dft h ALA 19 N 0.70 1.11 -0.47 1.87 0.00 -1.23 -2.25 119.26 118.98 3dft h ALA 19 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3dft h ALA 19 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dft h ALA 19 CO 0.01 0.18 -0.15 0.45 0.00 0.00 0.00 179.25 179.74 3dft h HIS 20 N 0.85 1.07 -0.85 0.00 3.86 -1.25 -3.01 115.15 115.81 3dft h HIS 20 Ca 0.36 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3dft h HIS 20 Cb 0.22 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 3dft h HIS 20 CO -0.05 1.04 0.49 0.00 0.86 0.00 0.00 177.93 180.26 3dft h ARG 21 N 0.79 1.17 -0.67 2.45 3.08 -0.90 -0.48 114.38 119.82 3dft h ARG 21 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3dft h ARG 21 Cb 0.71 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3dft h ARG 21 CO 0.05 0.84 0.38 0.82 -1.07 0.00 0.00 179.97 181.00 3dft h ILE 22 N 1.19 1.20 -0.48 2.04 2.04 -1.33 -3.12 117.51 119.06 3dft h ILE 22 Ca 0.30 -0.49 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 3dft h ILE 22 Cb -0.01 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.28 3dft h ILE 22 CO -0.05 0.22 0.10 1.33 0.00 0.00 0.00 178.15 179.75 3dft n VAL 23 N -4.54 2.63 -1.06 1.67 0.24 -1.05 -4.09 118.33 112.12 3dft n VAL 23 Ca 0.05 -2.16 -0.34 0.00 -2.04 0.00 0.00 64.34 59.85 3dft n VAL 23 Cb 0.08 -0.33 0.11 0.00 -1.47 0.00 0.00 33.84 32.23 3dft n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dft n ALA 24 N -0.73 -1.06 -1.69 2.33 0.00 -0.21 -4.72 120.51 114.42 3dft n ALA 24 Ca 0.34 -0.38 -0.62 0.00 0.00 0.00 0.00 53.44 52.78 3dft n ALA 24 Cb 1.14 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3dft n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dft n PRO 25 N -2.23 0.46 -0.29 0.00 -0.02 -1.26 -0.95 135.00 130.71 3dft n PRO 25 Ca 0.11 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3dft n PRO 25 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3dft n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dft n GLY 26 N 3.59 1.53 3.83 -1.23 0.00 -1.26 -5.03 105.19 106.61 3dft n GLY 26 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3dft n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dft s LYS 27 N -0.32 3.08 0.00 1.61 1.02 -0.12 -4.40 119.74 120.61 3dft s LYS 27 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3dft s LYS 27 Cb 0.00 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3dft s LYS 27 CO 0.00 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 3dft n GLY 28 N 0.18 3.90 3.33 -3.33 0.00 0.04 -4.64 105.19 104.67 3dft n GLY 28 Ca -0.07 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3dft n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dft s ILE 29 N -2.07 2.39 -0.44 -0.61 1.01 0.17 -0.34 121.20 121.31 3dft s ILE 29 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 3dft s ILE 29 Cb 0.00 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.60 3dft s ILE 29 CO 0.00 0.57 0.57 -0.22 0.00 0.00 0.00 174.94 175.86 3dft s LEU 30 N -0.31 4.70 -0.74 2.97 2.96 -0.50 -2.29 118.68 125.47 3dft s LEU 30 Ca 0.01 -0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 53.15 3dft s LEU 30 Cb -0.13 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.07 3dft s LEU 30 CO 0.02 -0.73 1.06 0.00 -1.32 0.00 0.00 176.35 175.39 3dft s ALA 31 N 2.55 3.09 -0.22 5.97 0.00 -0.49 -1.42 121.76 131.24 3dft s ALA 31 Ca 0.18 -1.98 0.12 0.00 0.00 0.00 0.00 51.96 50.27 3dft s ALA 31 Cb -0.16 -3.98 0.44 0.00 0.00 0.00 0.00 23.12 19.42 3dft s ALA 31 CO 0.16 -2.93 1.20 0.00 0.00 0.00 0.00 175.76 174.20 3dft n ALA 32 N 7.76 3.94 -1.12 0.00 0.00 -0.75 -4.21 120.51 126.13 3dft n ALA 32 Ca 0.04 -3.36 -0.27 0.00 0.00 0.00 0.00 53.44 49.86 3dft n ALA 32 Cb 0.47 -0.40 0.10 0.00 0.00 0.00 0.00 19.45 19.62 3dft n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dft n SER 33 N -0.83 6.00 -4.77 0.00 3.41 -0.93 -4.21 113.62 112.30 3dft n SER 33 Ca 0.25 -3.54 -0.41 0.00 -0.26 0.00 0.00 58.87 54.92 3dft n SER 33 Cb 0.82 -0.92 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 3dft n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dft s GLU 34 N -3.17 4.40 0.98 4.33 8.01 -1.26 -4.52 118.70 127.48 3dft s GLU 34 Ca 0.54 2.15 -0.16 0.00 0.01 0.00 0.00 54.97 57.51 3dft s GLU 34 Cb 0.44 -3.10 0.20 0.00 -4.31 0.00 0.00 34.13 27.35 3dft s GLU 34 CO 0.03 -0.13 1.24 -1.54 0.01 0.00 0.00 175.26 174.87 3dft s SER 35 N -0.49 2.90 0.21 -0.19 1.04 -1.26 -4.69 113.70 111.22 3dft s SER 35 Ca 0.49 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 57.33 3dft s SER 35 Cb -0.38 -0.68 0.16 0.00 0.10 0.00 0.00 66.02 65.22 3dft s SER 35 CO 0.50 -2.89 1.73 0.74 0.98 0.00 0.00 173.24 174.30 3dft h THR 36 N -1.74 1.26 -0.07 2.02 2.02 -1.97 0.40 112.91 114.83 3dft h THR 36 Ca -0.45 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 65.61 3dft h THR 36 Cb 1.27 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3dft h THR 36 CO 0.43 0.37 -0.57 1.23 0.37 0.00 0.00 175.52 177.35 3dft h GLY 37 N 1.07 0.25 1.41 2.16 0.00 -2.00 -1.80 103.07 104.15 3dft h GLY 37 Ca 0.21 -0.29 -0.31 0.00 0.00 0.00 0.00 47.33 46.94 3dft h GLY 37 CO 0.00 0.26 -1.39 0.23 0.00 0.00 0.00 176.54 175.65 3dft h SER 38 N 0.17 0.66 1.30 0.19 0.87 -1.83 -3.29 113.55 111.63 3dft h SER 38 Ca -0.00 -0.72 -0.03 0.00 -1.23 0.00 0.00 61.79 59.81 3dft h SER 38 Cb 1.06 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3dft h SER 38 CO 0.09 1.56 -0.13 -0.29 -0.53 0.00 0.00 176.83 177.53 3dft h ILE 39 N 0.12 0.28 -0.83 2.23 6.09 -0.22 -3.22 117.51 121.95 3dft h ILE 39 Ca -0.21 -1.03 0.07 0.00 -1.37 0.00 0.00 64.86 62.32 3dft h ILE 39 Cb 2.09 1.83 -0.06 0.00 0.47 0.00 0.00 36.82 41.14 3dft h ILE 39 CO 0.24 0.13 0.51 0.00 -3.07 0.00 0.00 178.15 175.96 3dft h ALA 40 N 1.87 1.15 -0.74 0.18 0.00 -1.39 -1.28 119.26 119.06 3dft h ALA 40 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dft h ALA 40 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3dft h ALA 40 CO 0.02 0.22 0.31 0.87 0.00 0.00 0.00 179.25 180.67 3dft h LYS 41 N 0.91 1.08 -0.21 0.00 1.57 -1.72 -1.25 116.57 116.96 3dft h LYS 41 Ca 0.37 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3dft h LYS 41 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3dft h LYS 41 CO -0.19 0.87 -0.01 0.00 -0.57 0.00 0.00 179.45 179.55 3dft h ARG 42 N 1.06 0.37 -0.11 3.15 -0.00 -1.45 -2.67 114.38 114.73 3dft h ARG 42 Ca 0.25 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.98 59.54 3dft h ARG 42 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 3dft h ARG 42 CO -0.02 0.58 -0.23 -0.07 0.00 0.00 0.00 179.97 180.22 3dft h LEU 43 N 0.12 0.18 -0.74 3.04 3.38 -1.10 -2.67 115.31 117.52 3dft h LEU 43 Ca 0.06 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3dft h LEU 43 Cb 0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3dft h LEU 43 CO 0.01 0.42 -0.51 -0.61 0.09 0.00 0.00 178.44 177.85 3dft h GLN 44 N 0.17 0.00 0.00 1.13 5.75 -1.15 0.26 115.11 121.27 3dft h GLN 44 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3dft h GLN 44 Cb 0.51 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3dft h GLN 44 CO 0.03 0.51 0.00 -1.13 -2.65 0.00 0.00 178.83 175.60 3dft n SER 45 N -3.59 0.00 -0.43 -0.69 3.41 -1.01 -1.89 113.62 109.42 3dft n SER 45 Ca -0.00 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3dft n SER 45 Cb 0.59 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3dft n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dft n ILE 46 N -1.47 1.23 -4.15 -1.33 -5.35 -1.05 -5.00 119.36 102.24 3dft n ILE 46 Ca 0.04 -1.69 -0.33 0.00 -0.27 0.00 0.00 62.75 60.50 3dft n ILE 46 Cb 0.15 0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 3dft n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dft n GLY 47 N -0.79 -0.36 3.41 3.28 0.00 -0.79 -4.64 105.19 105.30 3dft n GLY 47 Ca 0.11 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3dft n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dft s THR 48 N -3.55 3.09 0.33 2.61 2.01 0.05 -5.02 115.64 115.17 3dft s THR 48 Ca 0.48 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3dft s THR 48 Cb -0.26 -2.27 -0.11 0.00 0.01 0.00 0.00 72.50 69.87 3dft s THR 48 CO 0.92 0.55 1.48 -0.70 -0.69 0.00 0.00 174.62 176.17 3dft s GLU 49 N -0.01 4.17 -1.19 4.92 2.12 -1.26 -4.22 118.70 123.23 3dft s GLU 49 Ca -0.03 2.48 -0.14 0.00 0.36 0.00 0.00 54.97 57.64 3dft s GLU 49 Cb -0.14 -3.02 0.17 0.00 0.26 0.00 0.00 34.13 31.40 3dft s GLU 49 CO 0.04 -0.48 1.41 1.21 -0.54 0.00 0.00 175.26 176.90 3dft s ASN 50 N 0.01 7.04 0.36 -1.70 2.47 -1.26 -4.77 114.94 117.09 3dft s ASN 50 Ca 0.55 -2.93 0.08 0.00 0.42 0.00 0.00 52.86 50.98 3dft s ASN 50 Cb -0.45 -2.40 -0.05 0.00 -1.45 0.00 0.00 41.25 36.90 3dft s ASN 50 CO 0.55 -0.77 0.09 0.42 -3.72 0.00 0.00 177.10 173.67 3dft s THR 51 N 1.64 2.61 0.28 -5.21 -4.23 -1.26 -5.03 115.64 104.44 3dft s THR 51 Ca 0.42 -1.84 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3dft s THR 51 Cb -0.03 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 71.03 3dft s THR 51 CO -0.01 -0.14 1.78 -0.08 -0.54 0.00 0.00 174.62 175.64 3dft h GLU 52 N 1.65 0.70 -0.53 3.99 4.81 -1.99 -1.94 114.58 121.26 3dft h GLU 52 Ca -0.43 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.50 3dft h GLU 52 Cb 1.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3dft h GLU 52 CO 0.67 0.73 -0.11 1.49 -0.73 0.00 0.00 179.01 181.06 3dft h GLU 53 N 0.66 1.00 -0.46 1.92 4.57 -1.97 0.04 114.58 120.34 3dft h GLU 53 Ca 0.13 -0.37 -0.10 0.00 -1.18 0.00 0.00 59.36 57.84 3dft h GLU 53 Cb 0.44 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3dft h GLU 53 CO 0.02 1.05 -0.13 -0.91 -1.18 0.00 0.00 179.01 177.86 3dft h ASN 54 N 0.89 0.84 -0.50 1.04 2.35 -1.80 0.43 115.58 118.83 3dft h ASN 54 Ca 0.14 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 3dft h ASN 54 Cb 0.67 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3dft h ASN 54 CO 0.05 0.98 -0.00 0.03 -1.65 0.00 0.00 177.43 176.84 3dft h ARG 55 N 0.76 0.89 -0.29 0.81 3.08 -1.16 -0.85 114.38 117.62 3dft h ARG 55 Ca 0.12 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3dft h ARG 55 Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3dft h ARG 55 CO 0.04 0.93 0.17 -0.09 -1.07 0.00 0.00 179.97 179.95 3dft h ARG 56 N 0.76 0.40 -0.46 0.04 2.43 -0.69 -0.88 114.38 115.98 3dft h ARG 56 Ca 0.14 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dft h ARG 56 Cb 0.53 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3dft h ARG 56 CO 0.03 0.33 0.29 0.35 -1.51 0.00 0.00 179.97 179.45 3dft h PHE 57 N 0.36 0.54 -0.05 2.20 3.57 -0.69 0.15 116.94 123.02 3dft h PHE 57 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3dft h PHE 57 Cb 0.04 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 3dft h PHE 57 CO -0.04 0.33 0.03 -0.92 -2.23 0.00 0.00 178.31 175.48 3dft h TYR 58 N 0.58 0.07 -0.79 0.41 3.20 -0.93 0.55 116.97 120.06 3dft h TYR 58 Ca 0.18 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3dft h TYR 58 Cb -0.03 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3dft h TYR 58 CO -0.06 0.10 0.38 0.00 -1.64 0.00 0.00 178.16 176.95 3dft h ARG 59 N 0.02 1.13 -0.66 1.82 -0.00 -0.96 -2.18 114.38 113.54 3dft h ARG 59 Ca 0.02 -0.16 0.02 0.00 -0.50 0.00 0.00 59.98 59.35 3dft h ARG 59 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 29.97 29.78 3dft h ARG 59 CO -0.00 0.87 0.43 0.37 0.00 0.00 0.00 179.97 181.64 3dft h GLN 60 N 1.11 0.83 -0.99 0.04 4.15 -0.39 0.39 115.11 120.25 3dft h GLN 60 Ca 0.27 -0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.79 3dft h GLN 60 Cb 0.11 -0.19 -0.09 0.00 0.21 0.00 0.00 27.48 27.52 3dft h GLN 60 CO -0.03 0.55 0.60 1.25 -1.93 0.00 0.00 178.83 179.27 3dft h LEU 61 N 0.86 0.83 0.01 -2.39 6.46 -0.27 0.79 115.31 121.60 3dft h LEU 61 Ca 0.25 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 3dft h LEU 61 Cb -0.05 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3dft h LEU 61 CO -0.08 0.37 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.05 3dft h LEU 62 N 0.86 -0.01 -1.69 2.25 3.38 -1.01 -3.31 115.31 115.78 3dft h LEU 62 Ca 0.53 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3dft h LEU 62 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3dft h LEU 62 CO -0.32 0.86 -0.14 -0.07 0.09 0.00 0.00 178.44 178.86 3dft h LEU 63 N -0.89 0.02 -3.17 1.67 3.38 -0.62 -2.91 115.31 112.79 3dft h LEU 63 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dft h LEU 63 Cb 0.85 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3dft h LEU 63 CO 0.00 0.16 0.00 0.35 0.09 0.00 0.00 178.44 179.04 3dft n THR 64 N -4.36 2.20 -1.25 0.22 -2.24 0.24 -4.80 114.28 104.29 3dft n THR 64 Ca -0.02 -1.20 -0.34 0.00 -2.27 0.00 0.00 64.05 60.21 3dft n THR 64 Cb 0.21 -0.15 0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3dft n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dft n ALA 65 N 0.76 0.01 -0.49 6.98 0.00 -1.10 -4.94 120.51 121.74 3dft n ALA 65 Ca 0.25 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 3dft n ALA 65 Cb 1.01 -2.21 0.23 0.00 0.00 0.00 0.00 19.45 18.48 3dft n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dft n ASP 66 N -2.64 -2.57 0.02 0.00 5.68 -1.26 -4.84 116.55 110.95 3dft n ASP 66 Ca 0.14 -0.33 0.02 0.00 -0.50 0.00 0.00 54.79 54.12 3dft n ASP 66 Cb 0.50 -1.07 0.10 0.00 -1.14 0.00 0.00 41.12 39.51 3dft n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dft n ASP 67 N -3.80 0.08 0.09 -1.12 8.00 -1.26 -2.74 116.55 115.80 3dft n ASP 67 Ca 0.04 0.54 0.04 0.00 0.71 0.00 0.00 54.79 56.12 3dft n ASP 67 Cb 0.56 -0.55 0.46 0.00 -0.02 0.00 0.00 41.12 41.57 3dft n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dft h ARG 68 N 0.00 0.33 0.00 -1.24 3.08 -2.01 -2.18 114.38 112.36 3dft h ARG 68 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dft h ARG 68 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3dft h ARG 68 CO 0.00 0.29 0.00 -0.39 -1.07 0.00 0.00 179.97 178.80 3dft h VAL 69 N 0.34 0.00 -0.49 2.04 -1.51 -1.85 -3.37 116.25 111.42 3dft h VAL 69 Ca 0.08 -0.46 0.10 0.00 -1.23 0.00 0.00 66.70 65.19 3dft h VAL 69 Cb 0.09 1.41 -0.10 0.00 -2.13 0.00 0.00 31.29 30.57 3dft h VAL 69 CO -0.01 0.00 -0.22 0.78 -1.23 0.00 0.00 177.57 176.89 3dft h ASN 70 N 0.00 -0.76 0.37 4.19 4.21 -1.60 0.14 115.58 122.13 3dft h ASN 70 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3dft h ASN 70 Cb 0.68 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 3dft h ASN 70 CO 0.00 -0.24 0.00 -0.81 -1.29 0.00 0.00 177.43 175.09 3dft n PRO 71 N -5.40 0.42 -0.06 0.81 -0.04 -1.26 -3.29 135.00 126.18 3dft n PRO 71 Ca 0.04 0.05 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 3dft n PRO 71 Cb 0.31 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 3dft n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dft s ILE 73 N -2.80 4.14 -0.17 0.00 -1.09 -0.29 -0.78 121.20 120.21 3dft s ILE 73 Ca -0.08 -1.09 0.19 0.00 -2.23 0.00 0.00 60.65 57.44 3dft s ILE 73 Cb 0.08 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.52 3dft s ILE 73 CO 0.85 -0.26 0.94 1.23 -1.23 0.00 0.00 174.94 176.46 3dft h GLY 74 N 8.33 0.00 -3.26 6.18 0.00 -0.83 -3.39 103.07 110.10 3dft h GLY 74 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3dft h GLY 74 CO 0.65 0.00 0.05 -0.32 0.00 0.00 0.00 176.54 176.92 3dft s GLY 75 N -4.62 -0.43 -0.06 4.60 0.00 -1.11 -1.03 107.32 104.67 3dft s GLY 75 Ca -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 3dft s GLY 75 CO 0.80 0.04 0.00 0.14 0.00 0.00 0.00 173.10 174.09 3dft s VAL 76 N -3.30 0.31 -0.24 1.40 1.01 -0.21 -1.42 120.40 117.95 3dft s VAL 76 Ca -0.01 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3dft s VAL 76 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3dft s VAL 76 CO -0.09 0.23 0.49 -0.63 0.00 0.00 0.00 175.10 175.10 3dft s ILE 77 N 1.79 5.11 0.24 2.22 1.01 -0.51 -0.26 121.20 130.80 3dft s ILE 77 Ca 0.02 0.84 0.08 0.00 0.00 0.00 0.00 60.65 61.60 3dft s ILE 77 Cb -0.13 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3dft s ILE 77 CO -0.04 0.14 0.05 -0.76 0.00 0.00 0.00 174.94 174.33 3dft s LEU 78 N 1.98 3.38 0.39 2.97 1.43 0.06 -1.81 118.68 127.08 3dft s LEU 78 Ca 0.21 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3dft s LEU 78 Cb -0.15 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 3dft s LEU 78 CO 0.09 0.01 0.72 0.12 0.23 0.00 0.00 176.35 177.52 3dft s PHE 79 N -2.16 3.48 0.23 0.29 5.36 -1.26 -2.07 117.98 121.86 3dft s PHE 79 Ca 0.31 0.92 -0.13 0.00 -0.96 0.00 0.00 56.93 57.07 3dft s PHE 79 Cb -0.07 -2.35 0.30 0.00 -0.34 0.00 0.00 43.02 40.56 3dft s PHE 79 CO 0.21 -0.07 1.59 1.25 -1.46 0.00 0.00 175.22 176.74 3dft h HIS 80 N 1.20 -0.52 -0.38 10.12 6.17 -1.93 -1.69 115.15 128.13 3dft h HIS 80 Ca -0.47 0.07 0.07 0.00 0.71 0.00 0.00 60.37 60.75 3dft h HIS 80 Cb 1.19 0.35 -0.06 0.00 2.52 0.00 0.00 27.41 31.41 3dft h HIS 80 CO 0.60 -0.35 -0.03 1.49 0.71 0.00 0.00 177.93 180.35 3dft h GLU 81 N -0.02 0.07 -0.05 5.26 4.81 -1.98 -2.54 114.58 120.12 3dft h GLU 81 Ca 0.36 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 3dft h GLU 81 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3dft h GLU 81 CO -0.81 0.04 -0.24 1.15 -0.73 0.00 0.00 179.01 178.42 3dft h THR 82 N 0.07 1.20 0.00 0.32 2.02 -1.71 -2.59 112.91 112.22 3dft h THR 82 Ca 0.18 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3dft h THR 82 Cb 0.27 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3dft h THR 82 CO -0.33 0.27 -0.02 0.25 0.37 0.00 0.00 175.52 176.06 3dft h LEU 83 N 0.08 0.00 -3.02 2.58 5.85 -1.00 -2.16 115.31 117.64 3dft h LEU 83 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3dft h LEU 83 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3dft h LEU 83 CO 0.03 0.02 0.00 -1.22 -0.34 0.00 0.00 178.44 176.93 3dft n TYR 84 N -3.88 0.82 -3.09 1.25 4.01 -0.98 -4.60 117.16 110.70 3dft n TYR 84 Ca -0.03 -0.61 -0.20 0.00 -0.16 0.00 0.00 57.90 56.90 3dft n TYR 84 Cb 0.11 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3dft n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dft s GLN 85 N -1.61 2.95 0.13 -0.72 -0.21 -0.81 -4.99 119.66 114.40 3dft s GLN 85 Ca 0.35 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.96 3dft s GLN 85 Cb 0.23 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 3dft s GLN 85 CO 0.17 -0.24 -0.13 0.15 -2.12 0.00 0.00 175.29 173.12 3dft s LYS 86 N -4.43 1.04 0.94 2.91 1.02 -1.26 -1.80 119.74 118.16 3dft s LYS 86 Ca 0.50 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 3dft s LYS 86 Cb -0.10 -0.84 0.16 0.00 -0.52 0.00 0.00 37.83 36.53 3dft s LYS 86 CO 0.35 0.15 1.15 0.00 -0.92 0.00 0.00 175.35 176.08 3dft s ALA 87 N -2.43 1.71 0.28 5.17 0.00 -0.19 -4.86 121.76 121.45 3dft s ALA 87 Ca 0.11 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3dft s ALA 87 Cb -0.03 -3.00 0.61 0.00 0.00 0.00 0.00 23.12 20.70 3dft s ALA 87 CO 0.03 -2.41 1.80 -0.44 0.00 0.00 0.00 175.76 174.74 3dft h ASP 88 N -1.60 0.79 0.13 0.00 3.32 -1.99 0.59 116.42 117.65 3dft h ASP 88 Ca -0.50 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3dft h ASP 88 Cb 1.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3dft h ASP 88 CO 0.58 0.36 0.00 -0.90 -1.72 0.00 0.00 179.24 177.55 3dft n ASP 89 N -4.73 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.84 3dft n ASP 89 Ca 0.20 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 3dft n ASP 89 Cb 0.45 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3dft n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dft n GLY 90 N 0.10 0.70 3.71 6.12 0.00 0.20 -5.05 105.19 110.98 3dft n GLY 90 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dft n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dft s ARG 91 N -0.61 4.56 0.39 1.61 0.52 -1.26 -4.75 118.95 119.42 3dft s ARG 91 Ca 0.00 1.49 -0.27 0.00 -0.52 0.00 0.00 55.73 56.42 3dft s ARG 91 Cb 0.00 -3.42 -0.11 0.00 0.52 0.00 0.00 34.95 31.94 3dft s ARG 91 CO 0.00 -0.04 1.48 -2.30 0.02 0.00 0.00 175.30 174.46 3dft n PRO 92 N 3.70 2.61 -0.28 3.54 -0.02 -1.26 -1.02 135.00 142.26 3dft n PRO 92 Ca 0.06 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.58 3dft n PRO 92 Cb 0.50 -2.67 0.38 0.00 -0.02 0.00 0.00 33.50 31.68 3dft n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3dft h PHE 93 N 2.83 0.83 -0.42 6.00 0.04 -1.63 0.16 116.94 124.75 3dft h PHE 93 Ca -0.51 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.28 3dft h PHE 93 Cb 1.25 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 3dft h PHE 93 CO 0.52 0.29 0.22 -1.35 -0.60 0.00 0.00 178.31 177.39 3dft h PRO 94 N 0.69 0.57 -0.33 1.51 0.11 -1.85 -0.35 132.00 132.34 3dft h PRO 94 Ca 0.47 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.40 3dft h PRO 94 Cb 0.78 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3dft h PRO 94 CO -0.22 0.42 -0.26 0.37 -0.21 0.00 0.00 178.00 178.10 3dft h GLN 95 N 0.57 0.76 -0.11 1.05 4.15 -1.34 -1.08 115.11 119.11 3dft h GLN 95 Ca 0.15 -0.38 0.02 0.00 0.77 0.00 0.00 58.65 59.21 3dft h GLN 95 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3dft h GLN 95 CO -0.02 1.00 -0.01 0.28 -1.93 0.00 0.00 178.83 178.14 3dft h VAL 96 N 0.53 0.90 -0.13 2.39 2.07 -0.66 0.71 116.25 122.07 3dft h VAL 96 Ca 0.06 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3dft h VAL 96 Cb 0.83 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3dft h VAL 96 CO 0.07 0.00 0.04 0.40 0.02 0.00 0.00 177.57 178.10 3dft h ILE 97 N 0.02 0.96 -0.43 4.57 2.04 -1.00 -2.86 117.51 120.80 3dft h ILE 97 Ca 0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3dft h ILE 97 Cb 0.07 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3dft h ILE 97 CO -0.10 0.02 0.26 0.11 0.00 0.00 0.00 178.15 178.44 3dft h LYS 98 N 0.10 0.58 0.00 2.37 1.57 -0.93 -1.61 116.57 118.64 3dft h LYS 98 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dft h LYS 98 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3dft h LYS 98 CO -0.07 0.42 0.06 0.66 -0.57 0.00 0.00 179.45 179.95 3dft h SER 99 N 0.57 0.00 -0.67 0.86 4.64 -0.67 0.25 113.55 118.53 3dft h SER 99 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3dft h SER 99 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3dft h SER 99 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3dft n LYS 100 N -2.83 3.04 -0.86 4.77 5.02 -0.88 -4.92 118.16 121.49 3dft n LYS 100 Ca -0.02 -2.60 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 3dft n LYS 100 Cb 0.11 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3dft n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dft n GLY 101 N 1.40 0.54 3.85 0.72 0.00 0.89 -4.62 105.19 107.97 3dft n GLY 101 Ca 0.24 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3dft n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dft s GLY 102 N -2.30 1.61 0.03 -0.02 0.00 -0.66 -4.81 107.32 101.17 3dft s GLY 102 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.43 3dft s GLY 102 CO 0.00 -1.22 0.32 0.14 0.00 0.00 0.00 173.10 172.34 3dft s VAL 103 N -1.84 5.22 -0.17 1.40 1.01 -0.19 -3.57 120.40 122.25 3dft s VAL 103 Ca 0.32 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 3dft s VAL 103 Cb -0.10 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3dft s VAL 103 CO 0.25 0.36 0.27 -0.69 0.00 0.00 0.00 175.10 175.29 3dft s VAL 104 N -1.32 5.32 0.27 2.92 1.01 -1.26 -1.05 120.40 126.29 3dft s VAL 104 Ca 0.29 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.89 3dft s VAL 104 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3dft s VAL 104 CO 0.16 0.39 -0.13 -0.83 0.00 0.00 0.00 175.10 174.70 3dft s GLY 105 N 0.47 1.79 -0.02 4.51 0.00 0.64 -0.68 107.32 114.04 3dft s GLY 105 Ca 0.15 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 43.10 3dft s GLY 105 CO 0.03 -1.86 -0.01 -1.50 0.00 0.00 0.00 173.10 169.76 3dft s ILE 106 N -2.39 0.23 -0.07 0.90 1.10 -0.22 -0.76 121.20 119.98 3dft s ILE 106 Ca 0.30 -0.01 -0.30 0.00 -0.51 0.00 0.00 60.65 60.13 3dft s ILE 106 Cb -0.06 -0.27 -0.02 0.00 0.15 0.00 0.00 42.46 42.25 3dft s ILE 106 CO 0.17 0.12 1.11 -0.75 -2.11 0.00 0.00 174.94 173.48 3dft s LYS 107 N 0.62 4.39 0.00 3.50 2.36 -0.88 -1.48 119.74 128.25 3dft s LYS 107 Ca -0.06 1.55 0.02 0.00 -2.55 0.00 0.00 55.97 54.92 3dft s LYS 107 Cb -0.09 -3.54 -0.02 0.00 -1.05 0.00 0.00 37.83 33.13 3dft s LYS 107 CO -0.01 -0.37 0.14 1.33 1.55 0.00 0.00 175.35 177.99 3dft n VAL 108 N 4.54 0.00 -1.50 4.02 0.24 -0.26 -4.65 118.33 120.72 3dft n VAL 108 Ca 0.10 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.34 61.64 3dft n VAL 108 Cb 0.47 1.01 0.09 0.00 -1.47 0.00 0.00 33.84 33.94 3dft n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dft s ASP 109 N -1.08 4.58 -0.33 -1.34 1.47 -1.23 -4.86 116.67 113.89 3dft s ASP 109 Ca 0.01 1.43 0.07 0.00 1.18 0.00 0.00 52.55 55.24 3dft s ASP 109 Cb 0.02 -2.19 0.47 0.00 -0.34 0.00 0.00 42.92 40.88 3dft s ASP 109 CO 0.08 -1.93 1.40 0.29 0.68 0.00 0.00 175.17 175.69 3dft n LYS 110 N -3.42 2.56 0.00 2.11 5.02 0.81 -4.95 118.16 120.29 3dft n LYS 110 Ca 0.07 -3.59 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 3dft n LYS 110 Cb 0.55 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3dft n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dft n GLY 111 N -0.95 -1.29 3.89 0.72 0.00 -1.26 -4.69 105.19 101.61 3dft n GLY 111 Ca 0.39 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3dft n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dft s VAL 112 N -1.69 4.89 0.02 1.61 -7.23 -1.26 -1.50 120.40 115.23 3dft s VAL 112 Ca 0.00 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 3dft s VAL 112 Cb 0.00 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 3dft s VAL 112 CO 0.00 -0.58 -0.04 0.68 -0.31 0.00 0.00 175.10 174.85 3dft s VAL 113 N -2.41 0.28 0.33 1.32 -7.23 -0.29 -4.89 120.40 107.51 3dft s VAL 113 Ca 0.48 -0.75 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 3dft s VAL 113 Cb -0.10 -0.35 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 3dft s VAL 113 CO 0.35 -0.31 1.27 -2.16 -0.31 0.00 0.00 175.10 173.94 3dft s PRO 114 N -1.13 4.36 -0.38 4.82 0.04 -1.26 -1.72 135.00 139.72 3dft s PRO 114 Ca -0.09 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 3dft s PRO 114 Cb -0.08 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.42 3dft s PRO 114 CO -0.00 -0.16 0.41 -0.51 0.04 0.00 0.00 177.00 176.78 3dft s LEU 115 N -1.82 4.66 0.59 -3.56 1.43 0.24 -4.84 118.68 115.37 3dft s LEU 115 Ca 0.49 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 3dft s LEU 115 Cb -0.38 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3dft s LEU 115 CO 0.50 -0.47 1.34 0.00 0.23 0.00 0.00 176.35 177.95 3dft s ALA 116 N 2.10 2.65 0.00 4.21 0.00 -1.26 -2.86 121.76 126.60 3dft s ALA 116 Ca 0.12 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3dft s ALA 116 Cb -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3dft s ALA 116 CO 0.13 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.83 3dft n GLY 117 N 0.79 0.48 3.56 0.00 0.00 -1.26 -5.03 105.19 103.74 3dft n GLY 117 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3dft n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dft s THR 118 N -1.98 1.99 -1.30 2.61 -4.23 -1.14 -5.05 115.64 106.55 3dft s THR 118 Ca 0.00 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 3dft s THR 118 Cb 0.00 -2.81 0.13 0.00 1.34 0.00 0.00 72.50 71.16 3dft s THR 118 CO 0.00 -0.10 1.80 -3.20 -0.54 0.00 0.00 174.62 172.58 3dft n ASN 119 N -0.85 4.89 -1.72 3.99 5.15 -1.26 -4.45 115.26 121.01 3dft n ASN 119 Ca -0.05 -3.00 -0.15 0.00 -0.60 0.00 0.00 54.58 50.78 3dft n ASN 119 Cb 0.65 -1.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.32 3dft n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dft n GLY 120 N 3.74 -0.10 3.93 8.20 0.00 -1.26 -5.01 105.19 114.68 3dft n GLY 120 Ca 0.42 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3dft n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dft s GLU 121 N -4.64 3.48 0.28 1.61 2.02 -1.26 -4.97 118.70 115.21 3dft s GLU 121 Ca 0.00 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 54.88 3dft s GLU 121 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3dft s GLU 121 CO 0.00 -0.03 0.12 0.95 0.02 0.00 0.00 175.26 176.33 3dft s THR 122 N -2.51 0.45 0.37 3.63 -4.23 -1.26 -0.59 115.64 111.49 3dft s THR 122 Ca 0.43 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3dft s THR 122 Cb -0.10 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 3dft s THR 122 CO 0.40 0.00 0.20 0.28 -0.54 0.00 0.00 174.62 174.96 3dft s THR 123 N -3.71 0.30 -0.01 3.99 -1.32 -0.70 -4.81 115.64 109.38 3dft s THR 123 Ca 0.37 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.93 3dft s THR 123 Cb 0.07 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.63 3dft s THR 123 CO 0.15 0.00 -0.26 -0.89 -2.21 0.00 0.00 174.62 171.41 3dft s THR 124 N -3.34 2.02 0.41 5.08 2.01 -1.26 -1.14 115.64 119.42 3dft s THR 124 Ca 0.31 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 61.25 3dft s THR 124 Cb 0.02 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3dft s THR 124 CO 0.20 0.53 0.39 0.00 -0.69 0.00 0.00 174.62 175.05 3dft s GLN 125 N -0.70 2.59 0.00 4.92 -2.07 -0.57 -4.90 119.66 118.92 3dft s GLN 125 Ca 0.10 -1.48 0.00 0.00 -1.82 0.00 0.00 55.36 52.16 3dft s GLN 125 Cb -0.10 -2.43 0.00 0.00 -1.09 0.00 0.00 33.01 29.40 3dft s GLN 125 CO -0.00 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3dft n GLY 126 N -1.55 -0.13 0.11 2.60 0.00 -1.26 -0.13 105.19 104.82 3dft n GLY 126 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3dft n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dft h LEU 127 N 0.00 0.00 -9.42 0.99 3.38 -1.90 -3.40 115.31 104.95 3dft h LEU 127 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3dft h LEU 127 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3dft h LEU 127 CO 0.00 0.72 1.15 0.47 0.09 0.00 0.00 178.44 180.87 3dft n ASP 128 N -3.42 4.00 -0.07 -0.43 8.00 -1.26 -1.15 116.55 122.22 3dft n ASP 128 Ca 0.00 0.95 -0.01 0.00 0.71 0.00 0.00 54.79 56.45 3dft n ASP 128 Cb 0.77 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 40.35 3dft n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dft n GLY 129 N 4.36 0.23 0.37 0.44 0.00 -1.26 -4.87 105.19 104.46 3dft n GLY 129 Ca 0.19 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3dft n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dft h LEU 130 N 0.00 0.91 -0.68 0.99 5.85 -1.36 -2.02 115.31 118.99 3dft h LEU 130 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3dft h LEU 130 Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3dft h LEU 130 CO 0.03 0.56 0.41 -1.28 -0.34 0.00 0.00 178.44 177.82 3dft h SER 131 N 1.02 0.82 -0.43 1.25 0.87 -1.89 0.51 113.55 115.70 3dft h SER 131 Ca 0.41 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 3dft h SER 131 Cb 0.26 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3dft h SER 131 CO -0.17 0.64 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.33 3dft h GLU 132 N 0.93 0.90 -0.45 2.24 3.07 -1.85 -2.21 114.58 117.20 3dft h GLU 132 Ca 0.24 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 3dft h GLU 132 Cb -0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3dft h GLU 132 CO -0.05 0.96 0.11 0.00 -1.40 0.00 0.00 179.01 178.64 3dft h ARG 133 N 0.80 0.73 -0.51 2.33 3.08 -0.81 -1.83 114.38 118.17 3dft h ARG 133 Ca 0.13 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3dft h ARG 133 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3dft h ARG 133 CO 0.04 0.72 0.24 0.00 -1.07 0.00 0.00 179.97 179.90 3dft h ALA 135 N 1.08 1.22 -0.27 0.00 0.00 -1.27 0.21 119.26 120.23 3dft h ALA 135 Ca 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3dft h ALA 135 Cb 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3dft h ALA 135 CO -0.02 0.55 -0.24 0.37 0.00 0.00 0.00 179.25 179.91 3dft h GLN 136 N 1.24 0.64 -0.56 0.00 5.75 -0.88 -2.23 115.11 119.08 3dft h GLN 136 Ca 0.36 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3dft h GLN 136 Cb -0.08 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 3dft h GLN 136 CO -0.10 0.93 0.09 1.88 -2.65 0.00 0.00 178.83 178.98 3dft h TYR 137 N 0.37 0.93 -0.27 3.99 0.05 -0.31 -1.45 116.97 120.28 3dft h TYR 137 Ca 0.05 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 3dft h TYR 137 Cb 0.79 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3dft h TYR 137 CO 0.07 0.80 0.16 -0.22 -1.05 0.00 0.00 178.16 177.92 3dft h LYS 138 N 0.85 0.38 -0.46 4.88 1.63 -0.54 -0.45 116.57 122.85 3dft h LYS 138 Ca 0.18 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3dft h LYS 138 Cb 0.37 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3dft h LYS 138 CO 0.01 0.32 0.25 -0.22 -3.45 0.00 0.00 179.45 176.35 3dft h LYS 139 N 0.34 0.64 -0.83 1.90 3.64 -1.03 -2.71 116.57 118.52 3dft h LYS 139 Ca 0.10 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3dft h LYS 139 Cb 0.04 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3dft h LYS 139 CO -0.02 0.48 0.10 -0.25 -2.27 0.00 0.00 179.45 177.49 3dft n ASP 140 N -4.41 3.60 0.00 4.20 8.00 -0.58 -4.90 116.55 122.46 3dft n ASP 140 Ca 0.04 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.92 3dft n ASP 140 Cb 0.10 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 3dft n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dft n GLY 141 N 0.15 0.34 3.84 0.44 0.00 -1.02 -4.94 105.19 103.99 3dft n GLY 141 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3dft n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dft s ALA 142 N -2.00 3.56 0.00 4.61 0.00 -0.23 -4.42 121.76 123.27 3dft s ALA 142 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3dft s ALA 142 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3dft s ALA 142 CO 0.00 0.43 0.00 -0.25 0.00 0.00 0.00 175.76 175.94 3dft n ASP 143 N 0.92 1.29 -4.04 0.00 10.43 0.14 -4.02 116.55 121.28 3dft n ASP 143 Ca -0.06 -0.24 -0.09 0.00 2.57 0.00 0.00 54.79 56.98 3dft n ASP 143 Cb 0.52 0.73 -0.09 0.00 1.84 0.00 0.00 41.12 44.12 3dft n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3dft s PHE 144 N -0.99 0.56 0.25 1.24 -0.71 -1.17 -0.80 117.98 116.35 3dft s PHE 144 Ca 0.00 -0.97 0.03 0.00 -1.04 0.00 0.00 56.93 54.95 3dft s PHE 144 Cb 0.00 -0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 3dft s PHE 144 CO 0.00 -0.55 0.02 0.00 -1.34 0.00 0.00 175.22 173.35 3dft s ALA 145 N -3.97 1.85 -0.03 1.99 0.00 -0.13 -1.06 121.76 120.41 3dft s ALA 145 Ca 0.16 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.35 3dft s ALA 145 Cb 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3dft s ALA 145 CO -0.03 -0.30 -0.17 0.21 0.00 0.00 0.00 175.76 175.47 3dft s LYS 146 N -3.90 1.66 -0.17 0.00 2.20 -0.55 -2.12 119.74 116.86 3dft s LYS 146 Ca 0.31 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 55.25 3dft s LYS 146 Cb 0.06 -1.50 0.08 0.00 -1.51 0.00 0.00 37.83 34.97 3dft s LYS 146 CO 0.10 0.29 0.30 -0.46 -0.36 0.00 0.00 175.35 175.22 3dft s TRP 147 N -0.13 -0.51 -0.23 4.03 -0.11 -1.26 -1.11 118.94 119.63 3dft s TRP 147 Ca 0.00 0.88 -0.08 0.00 1.22 0.00 0.00 56.10 58.12 3dft s TRP 147 Cb -0.10 -0.04 -0.04 0.00 -1.50 0.00 0.00 33.47 31.79 3dft s TRP 147 CO 0.01 -0.48 0.10 0.50 -4.62 0.00 0.00 176.95 172.46 3dft s ARG 148 N 2.45 3.87 0.01 5.86 3.52 -1.26 -3.57 118.95 129.82 3dft s ARG 148 Ca 0.04 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.28 3dft s ARG 148 Cb -0.13 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3dft s ARG 148 CO -0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 175.30 174.34 3dft s VAL 150 N -1.05 1.49 0.14 0.00 1.01 -1.26 -1.72 120.40 119.00 3dft s VAL 150 Ca 0.19 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3dft s VAL 150 Cb -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3dft s VAL 150 CO 0.09 0.44 -0.21 -0.76 0.00 0.00 0.00 175.10 174.66 3dft s LEU 151 N 0.76 2.36 -0.01 3.92 1.43 -0.07 -4.51 118.68 122.58 3dft s LEU 151 Ca -0.11 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.25 3dft s LEU 151 Cb -0.16 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3dft s LEU 151 CO 0.02 0.05 -0.13 -0.75 0.23 0.00 0.00 176.35 175.77 3dft s LYS 152 N -2.32 1.07 -0.22 1.70 2.20 -1.26 -1.15 119.74 119.76 3dft s LYS 152 Ca 0.12 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.04 3dft s LYS 152 Cb -0.08 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 3dft s LYS 152 CO 0.06 0.28 0.53 0.42 -0.36 0.00 0.00 175.35 176.28 3dft s ILE 153 N -0.36 5.08 0.00 5.43 1.01 -1.26 -1.95 121.20 129.15 3dft s ILE 153 Ca 0.05 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3dft s ILE 153 Cb -0.05 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3dft s ILE 153 CO -0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3dft n GLY 154 N 4.06 3.42 0.32 6.18 0.00 -0.21 -4.81 105.19 114.15 3dft n GLY 154 Ca -0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 3dft n GLY 154 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dft h GLU 155 N 0.00 1.08 0.00 1.61 4.11 -2.01 -3.25 114.58 116.12 3dft h GLU 155 Ca 0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 3dft h GLU 155 Cb 0.00 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 28.98 3dft h GLU 155 CO 0.00 0.79 -0.37 0.72 0.07 0.00 0.00 179.01 180.22 3dft n HIS 156 N -4.45 0.00 -4.08 2.06 8.25 -1.26 -5.06 115.22 110.68 3dft n HIS 156 Ca 0.07 -0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 56.54 3dft n HIS 156 Cb 0.08 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 30.92 3dft n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dft s THR 157 N -2.05 0.46 0.25 1.59 -4.23 -1.23 -3.83 115.64 106.60 3dft s THR 157 Ca 0.28 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.12 3dft s THR 157 Cb 0.27 -0.95 -0.09 0.00 1.34 0.00 0.00 72.50 73.06 3dft s THR 157 CO -0.03 -0.62 1.25 -2.84 -0.54 0.00 0.00 174.62 171.85 3dft s PRO 158 N -2.47 4.44 0.73 3.99 0.02 -0.82 -1.04 135.00 139.86 3dft s PRO 158 Ca -0.03 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 3dft s PRO 158 Cb -0.04 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.36 3dft s PRO 158 CO -0.03 -0.12 1.10 -1.54 -0.33 0.00 0.00 177.00 176.08 3dft s SER 159 N -0.13 5.03 0.23 2.53 1.04 -1.25 -4.86 113.70 116.29 3dft s SER 159 Ca 0.52 0.88 -0.07 0.00 0.48 0.00 0.00 55.95 57.76 3dft s SER 159 Cb -0.36 -1.57 0.28 0.00 0.10 0.00 0.00 66.02 64.48 3dft s SER 159 CO 0.42 -1.56 1.84 0.00 0.98 0.00 0.00 173.24 174.92 3dft h ALA 160 N -0.76 1.06 -0.21 5.32 0.00 -2.00 -1.65 119.26 121.02 3dft h ALA 160 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3dft h ALA 160 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3dft h ALA 160 CO 0.64 0.21 0.09 1.25 0.00 0.00 0.00 179.25 181.44 3dft h LEU 161 N 0.88 0.28 -0.29 0.00 5.85 -1.99 -1.37 115.31 118.67 3dft h LEU 161 Ca 0.34 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dft h LEU 161 Cb 0.15 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3dft h LEU 161 CO -0.16 0.35 0.15 0.00 -0.34 0.00 0.00 178.44 178.44 3dft h ALA 162 N 0.94 0.36 -0.19 1.25 0.00 -1.83 0.26 119.26 120.05 3dft h ALA 162 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dft h ALA 162 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dft h ALA 162 CO -0.01 -0.23 0.09 0.82 0.00 0.00 0.00 179.25 179.93 3dft h ILE 163 N 0.32 1.13 -0.30 0.00 2.04 -1.26 -1.00 117.51 118.43 3dft h ILE 163 Ca 0.12 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3dft h ILE 163 Cb 0.02 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3dft h ILE 163 CO -0.07 0.12 0.05 -0.03 0.00 0.00 0.00 178.15 178.22 3dft h MET 164 N 0.18 0.49 -0.29 2.37 4.05 -1.01 -1.82 114.93 118.90 3dft h MET 164 Ca 0.07 -0.13 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 3dft h MET 164 Cb 0.11 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3dft h MET 164 CO -0.01 0.58 0.02 1.49 0.23 0.00 0.00 176.91 179.22 3dft h GLU 165 N 0.32 0.50 -0.37 0.39 4.57 -0.45 -1.45 114.58 118.08 3dft h GLU 165 Ca 0.09 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3dft h GLU 165 Cb 0.33 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3dft h GLU 165 CO 0.00 0.63 -0.11 -0.91 -1.18 0.00 0.00 179.01 177.45 3dft h ASN 166 N 0.30 0.62 -0.34 1.04 2.35 -1.20 -0.84 115.58 117.51 3dft h ASN 166 Ca 0.08 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 3dft h ASN 166 Cb 0.40 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3dft h ASN 166 CO 0.01 0.77 -0.23 0.00 -1.65 0.00 0.00 177.43 176.33 3dft h ALA 167 N 1.30 0.82 -0.18 -0.83 0.00 -1.25 -2.12 119.26 116.99 3dft h ALA 167 Ca 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3dft h ALA 167 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dft h ALA 167 CO 0.03 0.65 -0.14 -0.97 0.00 0.00 0.00 179.25 178.81 3dft h ASN 168 N 0.72 0.44 -0.42 0.00 -1.24 -0.89 -2.58 115.58 111.61 3dft h ASN 168 Ca 0.10 -0.45 -0.06 0.00 0.71 0.00 0.00 56.30 56.59 3dft h ASN 168 Cb 0.76 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 3dft h ASN 168 CO 0.06 0.80 0.06 1.62 -1.29 0.00 0.00 177.43 178.68 3dft h VAL 169 N 0.08 1.23 -0.59 2.57 3.04 -1.14 -1.86 116.25 119.59 3dft h VAL 169 Ca 0.03 -0.91 -0.03 0.00 -1.01 0.00 0.00 66.70 64.79 3dft h VAL 169 Cb 0.66 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 3dft h VAL 169 CO 0.04 0.33 0.26 -0.07 -1.01 0.00 0.00 177.57 177.11 3dft h LEU 170 N 0.75 0.76 -0.50 3.16 3.38 -1.36 -1.50 115.31 120.00 3dft h LEU 170 Ca 0.16 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3dft h LEU 170 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3dft h LEU 170 CO 0.01 0.67 -0.12 0.00 0.09 0.00 0.00 178.44 179.09 3dft h ALA 171 N 1.45 0.69 -0.51 1.53 0.00 -0.94 -0.93 119.26 120.55 3dft h ALA 171 Ca 0.20 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3dft h ALA 171 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dft h ALA 171 CO -0.02 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.94 3dft h ARG 172 N 0.82 0.83 -0.52 0.00 2.47 -1.02 -0.73 114.38 116.24 3dft h ARG 172 Ca 0.13 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3dft h ARG 172 Cb 0.68 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 3dft h ARG 172 CO 0.05 0.80 0.28 -0.92 0.56 0.00 0.00 179.97 180.75 3dft h TYR 173 N 0.72 0.71 -0.56 3.04 3.20 -1.15 -1.78 116.97 121.15 3dft h TYR 173 Ca 0.16 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3dft h TYR 173 Cb 0.36 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3dft h TYR 173 CO 0.02 0.53 0.09 0.00 -1.64 0.00 0.00 178.16 177.16 3dft h ALA 174 N 1.12 0.75 -0.21 1.82 0.00 -0.99 -1.90 119.26 119.84 3dft h ALA 174 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dft h ALA 174 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dft h ALA 174 CO -0.03 0.50 0.13 1.03 0.00 0.00 0.00 179.25 180.88 3dft h SER 175 N 0.83 0.25 -0.59 0.00 0.87 -0.88 -1.45 113.55 112.59 3dft h SER 175 Ca 0.17 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3dft h SER 175 Cb 0.42 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3dft h SER 175 CO 0.01 0.21 0.19 0.40 -0.53 0.00 0.00 176.83 177.11 3dft h ILE 176 N 0.27 1.24 -0.10 2.23 2.04 -1.26 -2.66 117.51 119.27 3dft h ILE 176 Ca 0.08 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3dft h ILE 176 Cb -0.00 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3dft h ILE 176 CO -0.02 0.31 0.01 0.00 0.00 0.00 0.00 178.15 178.45 3dft h GLN 178 N 0.05 0.00 0.00 0.00 4.20 -1.13 -0.19 115.11 118.03 3dft h GLN 178 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dft h GLN 178 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3dft h GLN 178 CO -0.07 0.11 0.00 1.96 -0.67 0.00 0.00 178.83 180.15 3dft h GLN 179 N 0.00 0.00 -0.17 1.46 1.08 -1.15 -3.14 115.11 113.20 3dft h GLN 179 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3dft h GLN 179 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3dft h GLN 179 CO 0.01 0.00 -0.03 0.09 -0.95 0.00 0.00 178.83 177.95 3dft n ASN 180 N -2.46 3.09 -0.64 1.46 3.02 -0.18 -4.96 115.26 114.59 3dft n ASN 180 Ca 0.03 -3.17 -0.08 0.00 -0.03 0.00 0.00 54.58 51.32 3dft n ASN 180 Cb 0.30 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 3dft n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dft n GLY 181 N -0.94 1.01 3.44 7.41 0.00 -1.14 -4.73 105.19 110.24 3dft n GLY 181 Ca 0.21 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3dft n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dft s ILE 182 N -2.25 3.97 -0.24 -0.61 -1.09 -0.66 -4.84 121.20 115.48 3dft s ILE 182 Ca 0.00 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 57.82 3dft s ILE 182 Cb 0.00 -2.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.08 3dft s ILE 182 CO 0.00 0.42 1.20 -0.69 -1.23 0.00 0.00 174.94 174.64 3dft s VAL 183 N 1.05 4.36 -0.03 2.92 1.01 0.02 -3.18 120.40 126.55 3dft s VAL 183 Ca 0.02 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 3dft s VAL 183 Cb -0.14 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3dft s VAL 183 CO 0.02 -0.28 0.72 -2.16 0.00 0.00 0.00 175.10 173.39 3dft s PRO 184 N 3.63 4.44 -0.38 2.72 0.04 -1.26 -0.95 135.00 143.25 3dft s PRO 184 Ca 0.52 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 3dft s PRO 184 Cb -0.18 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3dft s PRO 184 CO 0.15 0.14 0.45 0.42 0.04 0.00 0.00 177.00 178.20 3dft s ILE 185 N 0.51 5.08 -0.37 0.56 1.01 -0.90 -2.71 121.20 124.38 3dft s ILE 185 Ca 0.38 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 3dft s ILE 185 Cb -0.19 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.35 3dft s ILE 185 CO 0.20 -0.27 1.12 -0.69 0.00 0.00 0.00 174.94 175.30 3dft s VAL 186 N 2.21 4.37 -0.46 2.92 1.01 0.02 -4.08 120.40 126.40 3dft s VAL 186 Ca 0.14 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.69 3dft s VAL 186 Cb -0.16 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 31.88 3dft s VAL 186 CO 0.13 -0.66 0.20 -0.70 0.00 0.00 0.00 175.10 174.08 3dft s GLU 187 N 3.97 1.85 -1.05 2.72 2.12 -1.23 -0.47 118.70 126.60 3dft s GLU 187 Ca 0.47 -2.36 -0.07 0.00 0.36 0.00 0.00 54.97 53.38 3dft s GLU 187 Cb -0.11 -3.31 0.26 0.00 0.26 0.00 0.00 34.13 31.23 3dft s GLU 187 CO 0.21 -1.06 1.03 -0.35 -0.54 0.00 0.00 175.26 174.56 3dft n PRO 188 N 3.53 3.29 -2.56 4.30 -0.04 -1.25 -1.35 135.00 140.92 3dft n PRO 188 Ca 0.05 -4.47 -0.43 0.00 -0.04 0.00 0.00 63.50 58.61 3dft n PRO 188 Cb 0.36 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 3dft n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dft s GLU 189 N -1.35 4.28 -0.37 0.54 2.12 -0.70 -4.56 118.70 118.65 3dft s GLU 189 Ca 0.30 1.50 -0.15 0.00 0.36 0.00 0.00 54.97 56.98 3dft s GLU 189 Cb -0.09 -3.67 -0.00 0.00 0.26 0.00 0.00 34.13 30.63 3dft s GLU 189 CO -0.09 -0.61 0.34 0.42 -0.54 0.00 0.00 175.26 174.78 3dft s ILE 190 N 3.09 5.20 0.55 -3.70 1.01 -1.26 -0.89 121.20 125.19 3dft s ILE 190 Ca 0.49 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 3dft s ILE 190 Cb -0.19 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3dft s ILE 190 CO 0.12 -0.17 1.34 0.18 0.00 0.00 0.00 174.94 176.40 3dft n LEU 191 N 5.32 5.42 -0.16 2.97 4.77 -0.30 -4.84 117.00 130.19 3dft n LEU 191 Ca -0.10 0.97 0.15 0.00 -0.03 0.00 0.00 56.01 57.00 3dft n LEU 191 Cb 0.49 -1.57 0.70 0.00 -2.33 0.00 0.00 43.42 40.71 3dft n LEU 191 CO 0.41 -0.65 0.95 -0.81 -1.33 0.00 0.00 177.39 175.96 3dft n PRO 192 N -1.00 1.00 -1.82 3.23 -0.04 -1.26 -4.49 135.00 130.62 3dft n PRO 192 Ca 0.11 -0.32 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 3dft n PRO 192 Cb 0.45 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3dft n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dft s ASP 193 N -2.22 6.37 0.00 3.54 1.11 -1.26 -0.73 116.67 123.48 3dft s ASP 193 Ca 0.37 3.01 0.00 0.00 0.18 0.00 0.00 52.55 56.11 3dft s ASP 193 Cb 0.21 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.54 3dft s ASP 193 CO 0.41 -0.86 0.00 0.61 1.18 0.00 0.00 175.17 176.51 3dft n GLY 194 N 0.82 1.61 1.22 0.21 0.00 -1.26 -4.63 105.19 103.17 3dft n GLY 194 Ca 0.02 -2.25 0.10 0.00 0.00 0.00 0.00 46.02 43.90 3dft n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dft n ASP 195 N 0.00 3.84 -4.72 1.61 5.75 -1.26 -0.70 116.55 121.06 3dft n ASP 195 Ca 0.00 -2.07 -0.35 0.00 -0.01 0.00 0.00 54.79 52.36 3dft n ASP 195 Cb 0.00 -0.45 0.09 0.00 -1.03 0.00 0.00 41.12 39.73 3dft n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dft s HIS 196 N -1.14 2.07 0.43 2.11 -3.43 -1.26 -4.21 115.29 109.86 3dft s HIS 196 Ca 0.44 1.58 -0.01 0.00 -0.80 0.00 0.00 55.06 56.28 3dft s HIS 196 Cb 0.24 -3.49 0.09 0.00 -1.43 0.00 0.00 32.58 27.98 3dft s HIS 196 CO 0.28 -2.62 0.59 -0.40 -2.00 0.00 0.00 174.74 170.60 3dft n ASP 197 N -2.59 0.76 -0.12 7.38 5.68 -1.26 0.11 116.55 126.51 3dft n ASP 197 Ca 0.14 -1.65 -0.08 0.00 -0.50 0.00 0.00 54.79 52.69 3dft n ASP 197 Cb 0.50 -0.39 -0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3dft n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dft h LEU 198 N 0.00 0.46 -0.96 -2.12 5.85 -1.92 -2.80 115.31 113.82 3dft h LEU 198 Ca -0.20 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3dft h LEU 198 Cb 0.71 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3dft h LEU 198 CO 0.21 0.37 0.62 0.11 -0.34 0.00 0.00 178.44 179.41 3dft h LYS 199 N 0.51 1.15 -0.56 1.25 1.57 -1.95 -1.52 116.57 117.03 3dft h LYS 199 Ca 0.14 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3dft h LYS 199 Cb -0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3dft h LYS 199 CO -0.03 0.76 0.06 -0.09 -0.57 0.00 0.00 179.45 179.59 3dft h ARG 200 N 1.19 0.95 -0.58 3.15 2.43 -1.91 -0.82 114.38 118.79 3dft h ARG 200 Ca 0.39 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3dft h ARG 200 Cb 0.05 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3dft h ARG 200 CO -0.14 0.92 0.22 0.00 -1.51 0.00 0.00 179.97 179.47 3dft h GLN 202 N 0.81 0.88 -0.03 0.00 4.15 -1.05 0.77 115.11 120.64 3dft h GLN 202 Ca 0.19 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3dft h GLN 202 Cb 0.23 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 3dft h GLN 202 CO -0.01 0.65 0.02 -0.92 -1.93 0.00 0.00 178.83 176.63 3dft h TYR 203 N 0.86 0.04 -0.73 3.99 3.20 -0.85 -1.00 116.97 122.49 3dft h TYR 203 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3dft h TYR 203 Cb 0.02 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3dft h TYR 203 CO -0.01 0.11 0.26 0.28 -1.64 0.00 0.00 178.16 177.15 3dft h VAL 204 N -0.04 1.26 -0.79 1.81 2.07 -0.99 -2.25 116.25 117.32 3dft h VAL 204 Ca 0.01 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3dft h VAL 204 Cb 0.08 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3dft h VAL 204 CO -0.00 0.34 0.33 0.74 0.02 0.00 0.00 177.57 178.99 3dft h THR 205 N 1.07 1.26 -0.38 2.57 2.02 -0.68 -0.43 112.91 118.34 3dft h THR 205 Ca 0.24 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3dft h THR 205 Cb 0.27 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3dft h THR 205 CO -0.01 0.33 0.15 -0.33 0.37 0.00 0.00 175.52 176.03 3dft h GLU 206 N 1.14 0.56 -0.60 6.66 5.08 -0.97 -0.50 114.58 125.96 3dft h GLU 206 Ca 0.26 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3dft h GLU 206 Cb 0.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dft h GLU 206 CO -0.02 0.53 -0.02 0.87 -1.00 0.00 0.00 179.01 179.37 3dft h LYS 207 N 0.46 1.06 -0.10 2.33 1.79 -1.16 -1.26 116.57 119.69 3dft h LYS 207 Ca 0.13 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 3dft h LYS 207 Cb 0.18 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3dft h LYS 207 CO -0.01 1.05 0.02 0.28 -1.08 0.00 0.00 179.45 179.71 3dft h VAL 208 N 0.96 1.22 -0.20 0.50 2.07 -0.94 -2.39 116.25 117.48 3dft h VAL 208 Ca 0.17 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3dft h VAL 208 Cb 0.58 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3dft h VAL 208 CO 0.03 0.19 -0.14 -0.07 0.02 0.00 0.00 177.57 177.61 3dft h LEU 209 N -0.06 0.31 -0.67 2.57 3.38 -1.03 -0.35 115.31 119.46 3dft h LEU 209 Ca 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3dft h LEU 209 Cb 0.29 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dft h LEU 209 CO 0.00 0.48 0.24 0.00 0.09 0.00 0.00 178.44 179.25 3dft h ALA 210 N 1.56 0.87 -0.38 1.53 0.00 -1.08 -1.59 119.26 120.18 3dft h ALA 210 Ca 0.06 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3dft h ALA 210 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dft h ALA 210 CO 0.03 0.51 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 3dft h ALA 211 N 1.10 0.54 -0.17 0.00 0.00 -0.95 -2.61 119.26 117.17 3dft h ALA 211 Ca 0.22 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3dft h ALA 211 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dft h ALA 211 CO -0.01 0.58 0.03 0.28 0.00 0.00 0.00 179.25 180.13 3dft h VAL 212 N 0.67 0.92 0.00 0.00 2.07 -0.75 -1.71 116.25 117.45 3dft h VAL 212 Ca 0.07 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3dft h VAL 212 Cb 0.88 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3dft h VAL 212 CO 0.08 0.02 -0.33 1.88 0.02 0.00 0.00 177.57 179.24 3dft h TYR 213 N 0.10 0.00 -0.33 1.57 0.05 -1.31 -1.31 116.97 115.74 3dft h TYR 213 Ca 0.08 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.72 3dft h TYR 213 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3dft h TYR 213 CO -0.14 0.33 -0.32 -0.22 -1.05 0.00 0.00 178.16 176.76 3dft h LYS 214 N 0.00 0.80 -0.65 4.88 1.63 -1.22 -1.71 116.57 120.30 3dft h LYS 214 Ca -0.00 -0.42 -0.08 0.00 -0.85 0.00 0.00 60.65 59.30 3dft h LYS 214 Cb 0.88 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.50 3dft h LYS 214 CO 0.04 1.05 0.11 0.00 -3.45 0.00 0.00 179.45 177.20 3dft h ALA 215 N 0.73 0.96 -0.53 5.00 0.00 -1.05 -0.17 119.26 124.20 3dft h ALA 215 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3dft h ALA 215 Cb 0.91 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3dft h ALA 215 CO 0.08 0.65 0.16 -0.07 0.00 0.00 0.00 179.25 180.08 3dft h LEU 216 N 1.00 0.73 -0.22 0.00 3.38 -1.13 -1.44 115.31 117.64 3dft h LEU 216 Ca 0.20 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3dft h LEU 216 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3dft h LEU 216 CO 0.01 0.69 -0.10 -1.28 0.09 0.00 0.00 178.44 177.86 3dft h SER 217 N 0.77 0.47 -0.42 -0.43 0.87 -0.77 0.19 113.55 114.22 3dft h SER 217 Ca 0.18 -0.40 0.03 0.00 -1.23 0.00 0.00 61.79 60.37 3dft h SER 217 Cb 0.23 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3dft h SER 217 CO -0.01 0.76 0.28 0.44 -0.53 0.00 0.00 176.83 177.78 3dft h ASP 218 N 0.17 0.39 -0.47 6.23 5.19 -0.61 -1.47 116.42 125.85 3dft h ASP 218 Ca 0.05 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3dft h ASP 218 Cb 0.58 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3dft h ASP 218 CO 0.03 0.27 0.00 1.41 -3.12 0.00 0.00 179.24 177.83 3dft n HIS 219 N -4.48 0.83 -3.66 4.55 8.25 -0.58 -4.94 115.22 115.18 3dft n HIS 219 Ca 0.04 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.89 3dft n HIS 219 Cb 0.16 -0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.25 3dft n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dft n HIS 220 N 0.82 -2.70 -2.63 4.41 -0.00 -0.55 -4.90 115.22 109.68 3dft n HIS 220 Ca 0.17 0.99 -0.42 0.00 -0.00 0.00 0.00 57.72 58.46 3dft n HIS 220 Cb 0.52 -4.79 -0.04 0.00 -0.00 0.00 0.00 29.99 25.68 3dft n HIS 220 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3dft s ILE 221 N -3.33 4.41 -0.78 1.59 -1.09 0.03 -4.90 121.20 117.13 3dft s ILE 221 Ca 0.56 1.87 -0.25 0.00 -2.23 0.00 0.00 60.65 60.59 3dft s ILE 221 Cb -0.25 -4.20 0.04 0.00 -1.58 0.00 0.00 42.46 36.47 3dft s ILE 221 CO 0.75 0.22 1.24 -0.47 -1.23 0.00 0.00 174.94 175.46 3dft s TYR 222 N 0.47 2.42 0.35 3.97 5.04 -1.26 -4.81 117.35 123.53 3dft s TYR 222 Ca 0.51 -0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.86 3dft s TYR 222 Cb -0.25 -4.57 0.65 0.00 0.35 0.00 0.00 41.96 38.15 3dft s TYR 222 CO 0.30 -1.96 1.98 -0.07 -1.34 0.00 0.00 175.55 174.46 3dft h LEU 223 N 12.59 0.74 -2.59 6.97 3.38 -1.94 -1.25 115.31 133.21 3dft h LEU 223 Ca -0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3dft h LEU 223 Cb 1.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3dft h LEU 223 CO 1.28 0.50 -0.01 -0.33 0.09 0.00 0.00 178.44 179.97 3dft h GLU 224 N 0.85 0.00 -0.90 1.13 3.07 -1.91 -1.42 114.58 115.40 3dft h GLU 224 Ca 0.29 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.66 3dft h GLU 224 Cb 0.08 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.71 3dft h GLU 224 CO -0.08 0.01 0.55 0.41 -1.40 0.00 0.00 179.01 178.50 3dft n GLY 225 N -1.09 4.75 3.16 -3.84 0.00 -0.47 -4.44 105.19 103.26 3dft n GLY 225 Ca -0.03 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3dft n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dft s THR 226 N -3.49 0.10 0.10 2.61 -4.23 -0.54 -4.06 115.64 106.14 3dft s THR 226 Ca 0.56 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 3dft s THR 226 Cb 0.47 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 3dft s THR 226 CO 0.08 -0.44 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.86 3dft s LEU 227 N -3.05 2.42 -0.11 4.79 1.43 -1.10 -3.53 118.68 119.53 3dft s LEU 227 Ca 0.24 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3dft s LEU 227 Cb 0.07 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.97 3dft s LEU 227 CO 0.02 -0.27 -0.14 -0.22 0.23 0.00 0.00 176.35 175.96 3dft s LEU 228 N -2.54 2.67 -0.71 1.79 2.96 -0.37 -0.80 118.68 121.68 3dft s LEU 228 Ca 0.07 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3dft s LEU 228 Cb -0.02 -1.58 0.17 0.00 0.50 0.00 0.00 46.19 45.26 3dft s LEU 228 CO -0.00 0.20 0.50 -0.75 -1.32 0.00 0.00 176.35 174.99 3dft s LYS 229 N 0.12 2.52 0.49 1.98 2.20 0.38 0.11 119.74 127.53 3dft s LYS 229 Ca -0.07 -3.27 0.06 0.00 -0.36 0.00 0.00 55.97 52.33 3dft s LYS 229 Cb -0.15 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3dft s LYS 229 CO 0.05 -1.27 0.67 -1.25 -0.36 0.00 0.00 175.35 173.19 3dft s PRO 230 N -1.33 2.64 0.44 4.03 0.04 -1.26 -3.87 135.00 135.69 3dft s PRO 230 Ca 0.24 -1.15 -0.15 0.00 0.04 0.00 0.00 61.00 59.98 3dft s PRO 230 Cb -0.07 -2.65 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 3dft s PRO 230 CO -0.15 -0.51 0.87 0.54 0.04 0.00 0.00 177.00 177.80 3dft s ASN 231 N -4.42 6.66 0.65 6.66 4.22 -1.26 -2.35 114.94 125.10 3dft s ASN 231 Ca 0.57 1.40 -0.12 0.00 -2.14 0.00 0.00 52.86 52.57 3dft s ASN 231 Cb -0.09 -2.43 -0.02 0.00 1.28 0.00 0.00 41.25 39.98 3dft s ASN 231 CO 0.36 -0.43 1.04 -0.04 -2.04 0.00 0.00 177.10 175.99 3dft s MET 232 N -3.69 3.27 -0.38 3.55 -1.94 -1.26 -4.95 119.30 113.89 3dft s MET 232 Ca 0.56 0.90 -0.22 0.00 -1.71 0.00 0.00 55.69 55.22 3dft s MET 232 Cb -0.10 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.72 3dft s MET 232 CO 0.26 -0.83 0.73 0.08 -0.01 0.00 0.00 175.02 175.25 3dft s VAL 233 N -3.02 4.77 0.14 -6.03 1.01 -1.26 -5.01 120.40 111.01 3dft s VAL 233 Ca 0.57 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 3dft s VAL 233 Cb -0.13 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3dft s VAL 233 CO 0.52 -0.46 0.11 0.42 0.00 0.00 0.00 175.10 175.69 3dft s THR 234 N 3.00 0.09 0.93 3.92 -4.23 -1.26 -4.51 115.64 113.58 3dft s THR 234 Ca 0.28 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.86 3dft s THR 234 Cb -0.13 -2.05 0.15 0.00 1.34 0.00 0.00 72.50 71.81 3dft s THR 234 CO 0.17 -0.39 1.10 -2.16 -0.54 0.00 0.00 174.62 172.81 3dft s PRO 235 N -4.04 0.95 0.71 3.99 0.04 -1.26 -4.60 135.00 130.78 3dft s PRO 235 Ca 0.24 0.58 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 3dft s PRO 235 Cb 0.07 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.84 3dft s PRO 235 CO 0.02 -2.39 1.11 0.20 0.04 0.00 0.00 177.00 175.98 3dft s GLY 236 N -3.58 1.96 0.54 0.56 0.00 0.12 -4.91 107.32 102.00 3dft s GLY 236 Ca 0.64 0.45 0.20 0.00 0.00 0.00 0.00 44.72 46.01 3dft s GLY 236 CO 0.56 0.80 2.15 0.45 0.00 0.00 0.00 173.10 177.06 3dft h HIS 237 N -0.49 0.00 -0.65 1.90 3.86 -0.64 -1.75 115.15 117.39 3dft h HIS 237 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3dft h HIS 237 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3dft h HIS 237 CO 0.56 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.35 3dft n ALA 238 N -2.50 2.40 -2.15 2.45 0.00 0.12 -4.96 120.51 115.87 3dft n ALA 238 Ca -0.01 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 51.85 3dft n ALA 238 Cb 0.16 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 3dft n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dft h THR 240 N 4.07 1.48 -3.72 0.00 1.35 -1.90 -3.45 112.91 110.75 3dft h THR 240 Ca -0.43 -2.74 -0.52 0.00 -0.55 0.00 0.00 66.41 62.17 3dft h THR 240 Cb 1.21 2.60 0.05 0.00 -1.73 0.00 0.00 68.15 70.28 3dft h THR 240 CO 0.81 0.80 0.62 -1.58 -0.25 0.00 0.00 175.52 175.92 3dft s GLN 241 N -3.05 4.41 0.03 4.72 0.74 -1.26 -5.02 119.66 120.23 3dft s GLN 241 Ca -0.04 2.10 -0.01 0.00 0.05 0.00 0.00 55.36 57.46 3dft s GLN 241 Cb 0.09 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 3dft s GLN 241 CO 0.85 -0.14 0.20 0.15 -0.55 0.00 0.00 175.29 175.80 3dft s LYS 242 N -1.23 3.43 0.05 1.67 1.02 -1.26 -5.02 119.74 118.40 3dft s LYS 242 Ca 0.51 -0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.14 3dft s LYS 242 Cb -0.38 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3dft s LYS 242 CO 0.46 0.64 -0.11 0.71 -0.92 0.00 0.00 175.35 176.13 3dft s TYR 243 N -1.42 0.96 0.74 3.18 2.02 -1.26 -5.15 117.35 116.42 3dft s TYR 243 Ca 0.31 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 3dft s TYR 243 Cb -0.13 -0.56 0.07 0.00 -0.40 0.00 0.00 41.96 40.95 3dft s TYR 243 CO 0.24 -0.01 1.06 -1.54 -1.57 0.00 0.00 175.55 173.73 3dft s SER 244 N -1.56 4.66 0.34 2.29 1.04 -1.26 -4.94 113.70 114.27 3dft s SER 244 Ca -0.05 0.49 0.13 0.00 0.48 0.00 0.00 55.95 57.01 3dft s SER 244 Cb -0.10 -1.08 0.59 0.00 0.10 0.00 0.00 66.02 65.54 3dft s SER 244 CO 0.01 -1.72 1.73 0.45 0.98 0.00 0.00 173.24 174.70 3dft h HIS 245 N -0.74 0.00 -0.37 5.02 3.86 -1.99 -2.55 115.15 118.38 3dft h HIS 245 Ca -0.45 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.65 3dft h HIS 245 Cb 1.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 3dft h HIS 245 CO 0.25 0.46 -0.22 0.93 0.86 0.00 0.00 177.93 180.21 3dft h GLU 246 N 0.00 0.73 -0.29 2.45 3.07 -1.93 -0.67 114.58 117.95 3dft h GLU 246 Ca -0.00 -0.29 -0.17 0.00 -0.50 0.00 0.00 59.36 58.39 3dft h GLU 246 Cb 0.86 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3dft h GLU 246 CO 0.06 0.89 -0.48 0.93 -1.40 0.00 0.00 179.01 179.02 3dft h GLU 247 N 0.64 0.84 -0.81 2.33 5.08 -1.88 -0.93 114.58 119.85 3dft h GLU 247 Ca 0.09 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3dft h GLU 247 Cb 0.72 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3dft h GLU 247 CO 0.06 1.15 0.36 0.82 -1.00 0.00 0.00 179.01 180.40 3dft h ILE 248 N 0.61 1.26 -0.34 3.13 2.04 -1.33 -0.60 117.51 122.28 3dft h ILE 248 Ca 0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3dft h ILE 248 Cb 1.08 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3dft h ILE 248 CO 0.11 0.32 0.04 0.00 0.00 0.00 0.00 178.15 178.62 3dft h ALA 249 N 1.19 0.45 -0.34 1.87 0.00 -0.97 -1.25 119.26 120.21 3dft h ALA 249 Ca 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dft h ALA 249 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dft h ALA 249 CO -0.03 0.16 0.11 1.98 0.00 0.00 0.00 179.25 181.47 3dft h MET 250 N 0.39 0.53 -0.77 0.00 1.85 -0.92 -0.24 114.93 115.77 3dft h MET 250 Ca 0.10 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 3dft h MET 250 Cb 0.37 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.29 3dft h MET 250 CO 0.01 0.56 0.35 0.00 -0.40 0.00 0.00 176.91 177.43 3dft h ALA 251 N 0.95 1.00 0.23 0.39 0.00 -1.06 0.40 119.26 121.17 3dft h ALA 251 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dft h ALA 251 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dft h ALA 251 CO -0.00 0.58 -0.11 1.15 0.00 0.00 0.00 179.25 180.87 3dft h THR 252 N 1.10 0.84 -0.31 0.00 2.02 -1.02 -1.64 112.91 113.90 3dft h THR 252 Ca 0.26 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3dft h THR 252 Cb 0.15 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3dft h THR 252 CO -0.03 0.12 -0.11 0.58 0.37 0.00 0.00 175.52 176.44 3dft h VAL 253 N -0.59 1.23 -0.30 3.16 2.07 -1.00 -1.93 116.25 118.88 3dft h VAL 253 Ca -0.03 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3dft h VAL 253 Cb 0.43 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3dft h VAL 253 CO 0.05 0.34 0.04 0.74 0.02 0.00 0.00 177.57 178.76 3dft h THR 254 N 0.49 1.24 -0.77 2.57 2.02 -0.90 0.16 112.91 117.72 3dft h THR 254 Ca 0.09 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3dft h THR 254 Cb 0.49 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3dft h THR 254 CO 0.03 0.27 0.49 0.00 0.37 0.00 0.00 175.52 176.68 3dft h ALA 255 N 0.88 0.97 -0.23 6.16 0.00 -1.01 -2.01 119.26 124.01 3dft h ALA 255 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dft h ALA 255 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dft h ALA 255 CO 0.01 0.41 -0.07 -0.07 0.00 0.00 0.00 179.25 179.52 3dft h LEU 256 N 1.04 0.47 -1.93 0.00 3.38 -1.19 -2.96 115.31 114.12 3dft h LEU 256 Ca 0.28 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3dft h LEU 256 Cb -0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3dft h LEU 256 CO -0.06 0.74 0.09 0.03 0.09 0.00 0.00 178.44 179.33 3dft h ARG 257 N 0.19 0.09 -0.00 1.13 3.08 -0.76 0.17 114.38 118.28 3dft h ARG 257 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3dft h ARG 257 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3dft h ARG 257 CO 0.03 0.06 -0.14 0.54 -1.07 0.00 0.00 179.97 179.38 3dft n ARG 258 N -4.51 0.06 0.00 0.04 1.74 -0.77 -4.53 116.66 108.68 3dft n ARG 258 Ca -0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3dft n ARG 258 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3dft n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dft n THR 259 N -1.45 0.00 -3.14 0.55 -2.24 -0.67 -5.01 114.28 102.31 3dft n THR 259 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3dft n THR 259 Cb 0.33 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 3dft n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dft s VAL 260 N -1.00 4.91 0.43 2.28 1.01 0.51 -4.78 120.40 123.77 3dft s VAL 260 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 3dft s VAL 260 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3dft s VAL 260 CO 0.00 -0.32 1.33 -2.65 0.00 0.00 0.00 175.10 173.46 3dft n PRO 261 N 5.99 2.05 0.25 2.72 -0.02 -1.26 -4.83 135.00 139.90 3dft n PRO 261 Ca -0.02 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 3dft n PRO 261 Cb 0.49 -2.48 0.88 0.00 -0.02 0.00 0.00 33.50 32.36 3dft n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dft h PRO 262 N 2.16 0.00 0.00 0.52 0.13 -1.96 -1.45 132.00 131.40 3dft h PRO 262 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3dft h PRO 262 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3dft h PRO 262 CO 0.60 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.15 3dft h ALA 263 N 1.95 1.35 -2.47 -0.56 0.00 -1.90 -3.43 119.26 114.19 3dft h ALA 263 Ca 0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 3dft h ALA 263 Cb 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 17.84 3dft h ALA 263 CO 0.00 0.28 1.10 0.28 0.00 0.00 0.00 179.25 180.90 3dft n VAL 264 N -3.85 0.35 -0.02 0.00 0.31 -0.55 -3.53 118.33 111.03 3dft n VAL 264 Ca -0.02 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 3dft n VAL 264 Cb 0.31 -2.09 0.26 0.00 -0.91 0.00 0.00 33.84 31.41 3dft n VAL 264 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3dft h THR 265 N 4.62 1.21 -2.09 2.52 2.02 -1.67 -3.44 112.91 116.09 3dft h THR 265 Ca -0.46 -0.88 0.14 0.00 0.77 0.00 0.00 66.41 65.98 3dft h THR 265 Cb 1.22 0.98 -0.16 0.00 -1.74 0.00 0.00 68.15 68.45 3dft h THR 265 CO 0.95 0.30 0.57 -0.83 0.37 0.00 0.00 175.52 176.88 3dft s GLY 266 N -3.84 -0.42 -0.20 2.16 0.00 -1.26 -3.46 107.32 100.30 3dft s GLY 266 Ca -0.08 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3dft s GLY 266 CO 0.78 0.38 -0.15 0.14 0.00 0.00 0.00 173.10 174.24 3dft s VAL 267 N -2.95 2.37 -0.47 1.40 1.01 0.27 -1.24 120.40 120.78 3dft s VAL 267 Ca 0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 3dft s VAL 267 Cb -0.01 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.44 3dft s VAL 267 CO -0.08 0.45 0.28 0.42 0.00 0.00 0.00 175.10 176.17 3dft s THR 268 N 1.31 3.45 0.28 3.92 -4.23 0.12 -1.12 115.64 119.37 3dft s THR 268 Ca 0.04 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 57.96 3dft s THR 268 Cb -0.14 -3.33 -0.11 0.00 1.34 0.00 0.00 72.50 70.26 3dft s THR 268 CO -0.10 -0.75 1.56 -0.36 -0.54 0.00 0.00 174.62 174.43 3dft s PHE 269 N 0.82 2.81 0.30 3.99 0.08 -0.62 -4.13 117.98 121.23 3dft s PHE 269 Ca 0.10 0.82 -0.21 0.00 0.12 0.00 0.00 56.93 57.77 3dft s PHE 269 Cb -0.22 -4.02 -0.09 0.00 -0.57 0.00 0.00 43.02 38.12 3dft s PHE 269 CO -0.04 -3.40 0.83 -0.48 -0.10 0.00 0.00 175.22 172.03 3dft s LEU 270 N -0.43 4.23 0.25 -0.37 0.05 -0.99 -1.47 118.68 119.95 3dft s LEU 270 Ca 0.63 1.57 0.03 0.00 0.05 0.00 0.00 54.13 56.40 3dft s LEU 270 Cb -0.46 -3.95 0.30 0.00 -2.05 0.00 0.00 46.19 40.02 3dft s LEU 270 CO 0.46 -0.10 1.61 0.77 -0.55 0.00 0.00 176.35 178.55 3dft h SER 271 N 2.92 0.40 -6.31 1.48 4.64 -1.92 -3.41 113.55 111.34 3dft h SER 271 Ca -0.48 -0.19 -0.48 0.00 -0.47 0.00 0.00 61.79 60.18 3dft h SER 271 Cb 1.19 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3dft h SER 271 CO 0.64 0.81 -0.76 0.61 -0.87 0.00 0.00 176.83 177.26 3dft n GLY 272 N 0.02 -0.49 2.37 -0.77 0.00 -1.26 -1.98 105.19 103.07 3dft n GLY 272 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3dft n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dft n GLY 273 N -1.69 1.29 3.76 -0.02 0.00 -1.26 -4.91 105.19 102.36 3dft n GLY 273 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3dft n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dft s GLN 274 N -0.21 3.08 0.87 1.61 -0.21 -0.84 -4.99 119.66 118.97 3dft s GLN 274 Ca 0.00 1.72 -0.11 0.00 0.02 0.00 0.00 55.36 56.99 3dft s GLN 274 Cb 0.00 -1.96 0.11 0.00 1.00 0.00 0.00 33.01 32.17 3dft s GLN 274 CO 0.00 -1.10 1.10 -1.54 -2.12 0.00 0.00 175.29 171.64 3dft s SER 275 N -1.73 3.56 0.17 5.90 1.04 -1.26 -4.53 113.70 116.85 3dft s SER 275 Ca 0.75 1.84 -0.15 0.00 0.48 0.00 0.00 55.95 58.87 3dft s SER 275 Cb -0.27 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.52 3dft s SER 275 CO 0.32 -2.64 1.71 -0.33 0.98 0.00 0.00 173.24 173.28 3dft h GLU 276 N -1.55 0.16 -0.33 4.02 5.08 -1.85 -1.24 114.58 118.86 3dft h GLU 276 Ca -0.46 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3dft h GLU 276 Cb 1.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dft h GLU 276 CO 0.49 0.11 -0.06 1.49 -1.00 0.00 0.00 179.01 180.04 3dft h GLU 277 N 0.16 0.63 -0.55 2.33 4.57 -1.91 -2.79 114.58 117.02 3dft h GLU 277 Ca 0.20 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3dft h GLU 277 Cb 0.27 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3dft h GLU 277 CO -0.30 0.79 0.32 1.49 -1.18 0.00 0.00 179.01 180.13 3dft h GLU 278 N 0.41 0.75 -0.27 1.92 4.81 -1.87 -1.40 114.58 118.94 3dft h GLU 278 Ca 0.09 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3dft h GLU 278 Cb 0.54 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3dft h GLU 278 CO 0.03 0.55 0.04 0.00 -0.73 0.00 0.00 179.01 178.90 3dft h ALA 279 N 1.15 1.58 -0.01 2.92 0.00 -1.21 -0.52 119.26 123.19 3dft h ALA 279 Ca 0.20 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3dft h ALA 279 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dft h ALA 279 CO -0.04 0.31 -0.78 0.77 0.00 0.00 0.00 179.25 179.52 3dft h SER 280 N 0.38 0.70 -0.61 0.00 0.02 -1.18 -2.47 113.55 110.39 3dft h SER 280 Ca 0.09 -0.75 -0.08 0.00 -0.84 0.00 0.00 61.79 60.22 3dft h SER 280 Cb 0.19 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3dft h SER 280 CO -0.00 1.35 0.07 0.40 -1.14 0.00 0.00 176.83 177.51 3dft h ILE 281 N 0.11 1.26 -0.39 3.27 2.04 -1.03 -1.03 117.51 121.74 3dft h ILE 281 Ca -0.10 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 3dft h ILE 281 Cb 1.46 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3dft h ILE 281 CO 0.15 0.38 -0.04 0.78 0.00 0.00 0.00 178.15 179.43 3dft h ASN 282 N 0.93 0.72 -0.81 1.72 2.35 -1.17 -0.08 115.58 119.24 3dft h ASN 282 Ca 0.18 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3dft h ASN 282 Cb 0.46 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3dft h ASN 282 CO 0.02 0.87 0.44 0.25 -1.65 0.00 0.00 177.43 177.36 3dft h LEU 283 N 0.54 1.01 -0.30 1.61 5.85 -1.32 0.59 115.31 123.30 3dft h LEU 283 Ca 0.11 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3dft h LEU 283 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3dft h LEU 283 CO 0.03 0.82 0.05 -1.13 -0.34 0.00 0.00 178.44 177.87 3dft h ASN 284 N 1.12 0.47 -0.81 1.25 -1.24 -1.02 -1.86 115.58 113.49 3dft h ASN 284 Ca 0.28 -0.25 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3dft h ASN 284 Cb 0.03 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 3dft h ASN 284 CO -0.05 0.60 0.50 0.00 -1.29 0.00 0.00 177.43 177.20 3dft h ALA 285 N 0.88 1.35 -0.70 1.57 0.00 -0.61 -1.52 119.26 120.23 3dft h ALA 285 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dft h ALA 285 Cb 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dft h ALA 285 CO 0.00 0.57 0.37 0.82 0.00 0.00 0.00 179.25 181.02 3dft h ILE 286 N 1.12 1.22 0.00 0.00 2.04 -0.62 -1.72 117.51 119.54 3dft h ILE 286 Ca 0.29 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3dft h ILE 286 Cb -0.06 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3dft h ILE 286 CO -0.06 0.25 0.00 0.78 0.00 0.00 0.00 178.15 179.12 3dft h ASN 287 N 0.97 0.00 0.44 1.72 2.35 -0.49 -2.90 115.58 117.66 3dft h ASN 287 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3dft h ASN 287 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3dft h ASN 287 CO -0.04 0.00 -0.90 0.29 -1.65 0.00 0.00 177.43 175.14 3dft n LYS 288 N -2.80 0.21 -1.62 0.81 5.02 -0.65 -4.76 118.16 114.37 3dft n LYS 288 Ca 0.02 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.78 3dft n LYS 288 Cb 0.35 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3dft n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dft n PRO 290 N 3.19 0.62 -4.26 0.00 -0.04 -1.26 -4.79 135.00 128.46 3dft n PRO 290 Ca 0.21 -0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 3dft n PRO 290 Cb 0.17 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 3dft n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dft s LEU 291 N 0.00 2.44 0.00 1.53 1.43 -1.26 -5.11 118.68 117.71 3dft s LEU 291 Ca 0.04 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 3dft s LEU 291 Cb 0.02 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3dft s LEU 291 CO 0.00 -0.16 1.27 -0.22 0.23 0.00 0.00 176.35 177.47 3dft s LEU 292 N -2.65 4.32 -0.32 1.79 0.20 -1.26 -5.01 118.68 115.74 3dft s LEU 292 Ca 0.12 1.99 0.02 0.00 0.69 0.00 0.00 54.13 56.95 3dft s LEU 292 Cb -0.04 -3.57 0.10 0.00 -0.43 0.00 0.00 46.19 42.26 3dft s LEU 292 CO 0.04 -0.60 0.06 -0.54 -0.29 0.00 0.00 176.35 175.02 3dft s LYS 293 N 1.91 1.18 0.00 1.98 1.02 -1.26 -4.96 119.74 119.60 3dft s LYS 293 Ca 0.60 -1.50 0.03 0.00 0.02 0.00 0.00 55.97 55.11 3dft s LYS 293 Cb -0.29 -2.68 0.17 0.00 -0.52 0.00 0.00 37.83 34.52 3dft s LYS 293 CO 0.26 -0.94 0.88 -0.35 -0.92 0.00 0.00 175.35 174.27 3dft n PRO 294 N 4.52 0.75 -4.08 -1.68 -0.04 -1.26 -4.79 135.00 128.42 3dft n PRO 294 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 3dft n PRO 294 Cb 0.42 -1.06 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 3dft n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dft s TRP 295 N -2.00 0.61 0.31 0.54 0.51 -1.26 -4.89 118.94 112.76 3dft s TRP 295 Ca 0.04 -0.73 -0.29 0.00 -2.12 0.00 0.00 56.10 53.00 3dft s TRP 295 Cb 0.02 -0.38 -0.10 0.00 -0.81 0.00 0.00 33.47 32.19 3dft s TRP 295 CO 0.03 -0.18 1.39 0.00 -0.51 0.00 0.00 176.95 177.68 3dft s ALA 296 N -2.50 3.56 -0.47 0.98 0.00 -1.22 -4.84 121.76 117.27 3dft s ALA 296 Ca -0.02 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3dft s ALA 296 Cb -0.02 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3dft s ALA 296 CO -0.03 -0.76 0.22 -0.51 0.00 0.00 0.00 175.76 174.67 3dft s LEU 297 N -1.34 4.80 0.00 0.00 1.43 -1.26 -0.57 118.68 121.75 3dft s LEU 297 Ca 0.53 -2.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 3dft s LEU 297 Cb -0.42 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3dft s LEU 297 CO 0.52 -0.36 0.00 1.07 0.23 0.00 0.00 176.35 177.81 3dft n THR 298 N 3.79 0.00 -4.46 5.49 5.66 -0.28 -4.63 114.28 119.86 3dft n THR 298 Ca 0.04 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.81 3dft n THR 298 Cb 0.38 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.06 3dft n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dft s PHE 299 N 0.71 2.20 -0.44 1.09 -0.71 -1.26 -1.60 117.98 117.97 3dft s PHE 299 Ca 0.00 -0.40 0.06 0.00 -1.04 0.00 0.00 56.93 55.56 3dft s PHE 299 Cb 0.00 -1.00 0.22 0.00 -1.21 0.00 0.00 43.02 41.03 3dft s PHE 299 CO 0.00 0.64 0.63 0.45 -1.34 0.00 0.00 175.22 175.59 3dft n SER 300 N -0.60 -1.46 -4.87 1.98 2.88 -0.54 0.46 113.62 111.47 3dft n SER 300 Ca -0.06 -2.84 -0.36 0.00 -1.33 0.00 0.00 58.87 54.28 3dft n SER 300 Cb 0.60 0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 64.50 3dft n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dft s TYR 301 N -0.05 3.62 0.00 0.66 2.02 -0.97 -4.04 117.35 118.59 3dft s TYR 301 Ca 0.33 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 3dft s TYR 301 Cb 0.13 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 3dft s TYR 301 CO -0.16 0.67 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 3dft n GLY 302 N 1.61 -0.22 0.26 0.71 0.00 -1.26 -1.39 105.19 104.90 3dft n GLY 302 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3dft n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dft h ARG 303 N 0.00 0.00 0.00 1.61 3.08 -1.94 -1.63 114.38 115.50 3dft h ARG 303 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dft h ARG 303 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dft h ARG 303 CO 0.00 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3dft n ALA 304 N -2.31 1.47 -0.01 0.04 0.00 -1.26 -0.35 120.51 118.09 3dft n ALA 304 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dft n ALA 304 Cb 0.24 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3dft n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dft n LEU 305 N -1.48 0.00 -0.00 0.00 4.77 -0.69 -4.56 117.00 115.03 3dft n LEU 305 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 3dft n LEU 305 Cb 0.11 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 3dft n LEU 305 CO 0.09 0.02 -0.45 0.00 -1.33 0.00 0.00 177.39 175.72 3dft n GLN 306 N -1.79 1.09 -0.11 3.23 6.02 -0.74 -4.54 117.38 120.54 3dft n GLN 306 Ca -0.02 -0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 56.84 3dft n GLN 306 Cb 0.27 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 3dft n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dft h ALA 307 N 1.57 -0.26 -0.66 -1.58 0.00 -0.94 0.44 119.26 117.83 3dft h ALA 307 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3dft h ALA 307 Cb 0.55 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3dft h ALA 307 CO 0.00 -0.38 0.23 0.77 0.00 0.00 0.00 179.25 179.87 3dft h SER 308 N -0.04 0.91 -0.26 0.00 0.02 -1.86 -2.55 113.55 109.77 3dft h SER 308 Ca 0.04 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3dft h SER 308 Cb 0.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3dft h SER 308 CO -0.28 0.84 0.16 0.00 -1.14 0.00 0.00 176.83 176.40 3dft h ALA 309 N 1.29 0.33 -0.94 3.77 0.00 -1.64 0.20 119.26 122.27 3dft h ALA 309 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3dft h ALA 309 Cb 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3dft h ALA 309 CO -0.01 -0.17 0.62 1.25 0.00 0.00 0.00 179.25 180.94 3dft h LEU 310 N 0.33 1.07 -0.13 0.00 5.85 -0.80 -0.73 115.31 120.90 3dft h LEU 310 Ca 0.09 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3dft h LEU 310 Cb 0.01 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 3dft h LEU 310 CO -0.02 0.76 -0.10 0.50 -0.34 0.00 0.00 178.44 179.25 3dft h LYS 311 N 1.26 0.30 -0.97 1.25 3.64 -1.02 -2.31 116.57 118.71 3dft h LYS 311 Ca 0.35 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3dft h LYS 311 Cb -0.12 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 3dft h LYS 311 CO -0.08 0.67 0.60 0.00 -2.27 0.00 0.00 179.45 178.37 3dft h ALA 312 N 0.62 1.24 -0.18 5.00 0.00 -0.39 -2.74 119.26 122.80 3dft h ALA 312 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dft h ALA 312 Cb 0.60 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dft h ALA 312 CO 0.03 0.67 0.08 2.35 0.00 0.00 0.00 179.25 182.37 3dft h TRP 313 N 1.33 0.28 0.00 0.00 7.01 -1.12 -3.43 115.95 120.02 3dft h TRP 313 Ca 0.35 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.33 3dft h TRP 313 Cb -0.09 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3dft h TRP 313 CO 0.00 0.33 0.00 0.41 -2.79 0.00 0.00 178.44 176.39 3dft n GLY 314 N -0.72 0.00 0.93 2.65 0.00 -0.87 -1.14 105.19 106.03 3dft n GLY 314 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3dft n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dft n GLY 315 N -1.12 0.76 3.52 -0.02 0.00 -1.26 -4.75 105.19 102.32 3dft n GLY 315 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3dft n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dft s LYS 316 N -0.62 3.80 0.36 1.61 1.02 -0.29 -4.99 119.74 120.62 3dft s LYS 316 Ca 0.00 -0.41 0.10 0.00 0.02 0.00 0.00 55.97 55.68 3dft s LYS 316 Cb 0.00 -3.34 0.85 0.00 -0.52 0.00 0.00 37.83 34.82 3dft s LYS 316 CO 0.00 -0.05 1.86 -0.22 -0.92 0.00 0.00 175.35 176.02 3dft h LYS 317 N 7.79 0.63 0.00 1.68 3.64 -1.97 -0.52 116.57 127.83 3dft h LYS 317 Ca -0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3dft h LYS 317 Cb 1.18 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3dft h LYS 317 CO 0.61 0.42 0.00 -0.85 -2.27 0.00 0.00 179.45 177.36 3dft n GLU 318 N -4.57 0.03 -0.17 1.90 0.00 -1.26 -2.02 120.64 114.54 3dft n GLU 318 Ca 0.18 0.32 0.11 0.00 0.00 0.00 0.00 57.16 57.78 3dft n GLU 318 Cb 0.52 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.66 3dft n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dft n ASN 319 N -1.45 3.36 -0.14 -1.84 3.02 -0.20 -4.65 115.26 113.37 3dft n ASN 319 Ca 0.02 -1.97 -0.07 0.00 -0.03 0.00 0.00 54.58 52.54 3dft n ASN 319 Cb 0.09 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 3dft n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dft h LEU 320 N 4.27 -1.06 -0.97 3.41 5.85 -1.52 0.27 115.31 125.55 3dft h LEU 320 Ca 0.00 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3dft h LEU 320 Cb 0.95 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3dft h LEU 320 CO 0.00 -0.31 0.51 0.50 -0.34 0.00 0.00 178.44 178.80 3dft h LYS 321 N -0.22 1.23 -0.30 1.25 3.64 -1.85 0.15 116.57 120.47 3dft h LYS 321 Ca 0.19 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3dft h LYS 321 Cb 0.53 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3dft h LYS 321 CO -0.57 0.88 -0.31 0.00 -2.27 0.00 0.00 179.45 177.18 3dft h ALA 322 N 1.32 0.90 -0.21 5.00 0.00 -1.61 -2.17 119.26 122.50 3dft h ALA 322 Ca 0.32 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3dft h ALA 322 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dft h ALA 322 CO -0.06 0.62 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 3dft h ALA 323 N 1.12 0.31 -0.16 0.00 0.00 0.19 -3.03 119.26 117.70 3dft h ALA 323 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3dft h ALA 323 Cb 0.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3dft h ALA 323 CO 0.07 0.24 -0.15 1.96 0.00 0.00 0.00 179.25 181.37 3dft h GLN 324 N 0.19 0.25 -0.56 0.00 4.20 -0.68 -2.52 115.11 116.00 3dft h GLN 324 Ca 0.03 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3dft h GLN 324 Cb 0.75 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3dft h GLN 324 CO 0.05 0.40 0.08 1.49 -0.67 0.00 0.00 178.83 180.18 3dft h GLU 325 N 0.24 0.90 -0.34 1.46 4.57 -1.34 -0.57 114.58 119.50 3dft h GLU 325 Ca 0.05 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 3dft h GLU 325 Cb 0.41 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3dft h GLU 325 CO 0.02 0.85 0.06 0.93 -1.18 0.00 0.00 179.01 179.69 3dft h GLU 326 N 0.85 0.55 -0.40 1.92 4.39 -1.33 -1.45 114.58 119.12 3dft h GLU 326 Ca 0.17 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3dft h GLU 326 Cb 0.39 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3dft h GLU 326 CO 0.01 0.63 0.19 -0.92 -1.16 0.00 0.00 179.01 177.76 3dft h TYR 327 N 0.39 0.58 -1.00 4.33 3.20 -1.29 -2.71 116.97 120.46 3dft h TYR 327 Ca 0.10 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3dft h TYR 327 Cb 0.35 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 3dft h TYR 327 CO 0.02 0.49 0.65 0.28 -1.64 0.00 0.00 178.16 177.96 3dft h VAL 328 N 0.50 1.13 -0.63 1.81 2.07 -0.98 -0.81 116.25 119.34 3dft h VAL 328 Ca 0.14 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3dft h VAL 328 Cb 0.13 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 3dft h VAL 328 CO -0.02 0.22 0.25 0.11 0.02 0.00 0.00 177.57 178.16 3dft h LYS 329 N 1.22 0.92 0.00 1.57 1.57 -0.96 -1.10 116.57 119.79 3dft h LYS 329 Ca 0.42 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.87 3dft h LYS 329 Cb 0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3dft h LYS 329 CO -0.15 0.75 -0.85 0.00 -0.57 0.00 0.00 179.45 178.63 3dft h ARG 330 N 0.91 0.05 -0.45 3.15 2.47 -1.09 -2.08 114.38 117.34 3dft h ARG 330 Ca 0.21 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 3dft h ARG 330 Cb 0.18 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3dft h ARG 330 CO -0.02 0.87 -0.04 0.00 0.56 0.00 0.00 179.97 181.34 3dft h ALA 331 N 1.11 0.61 -0.44 0.04 0.00 -0.73 -1.35 119.26 118.50 3dft h ALA 331 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3dft h ALA 331 Cb 1.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3dft h ALA 331 CO 0.12 0.44 -0.06 -0.07 0.00 0.00 0.00 179.25 179.67 3dft h LEU 332 N 0.65 0.81 -0.30 0.00 3.38 -1.21 -1.60 115.31 117.04 3dft h LEU 332 Ca 0.12 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3dft h LEU 332 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3dft h LEU 332 CO 0.03 0.96 0.15 0.00 0.09 0.00 0.00 178.44 179.67 3dft h ALA 333 N 0.88 0.39 0.00 1.53 0.00 -1.26 -2.50 119.26 118.30 3dft h ALA 333 Ca 0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dft h ALA 333 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dft h ALA 333 CO 0.04 -0.05 -0.43 -0.91 0.00 0.00 0.00 179.25 177.90 3dft h ASN 334 N 0.35 0.00 -0.49 0.00 2.35 -1.24 -0.99 115.58 115.57 3dft h ASN 334 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3dft h ASN 334 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3dft h ASN 334 CO -0.01 0.43 0.04 -1.28 -1.65 0.00 0.00 177.43 174.96 3dft h SER 335 N 0.00 0.85 0.10 5.81 0.87 -1.06 -0.45 113.55 119.66 3dft h SER 335 Ca -0.00 -0.20 -0.23 0.00 -1.23 0.00 0.00 61.79 60.12 3dft h SER 335 Cb 0.94 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3dft h SER 335 CO 0.06 0.89 -0.90 -0.07 -0.53 0.00 0.00 176.83 176.27 3dft h LEU 336 N 0.83 0.75 -0.74 2.23 3.38 -1.13 -3.29 115.31 117.35 3dft h LEU 336 Ca 0.16 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3dft h LEU 336 Cb 0.43 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3dft h LEU 336 CO 0.02 1.34 0.34 0.00 0.09 0.00 0.00 178.44 180.23 3dft h ALA 337 N 0.62 0.96 0.00 1.53 0.00 -0.74 0.11 119.26 121.74 3dft h ALA 337 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3dft h ALA 337 Cb 1.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dft h ALA 337 CO 0.17 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3dft n GLN 339 N -0.49 4.51 -1.00 0.00 6.02 -0.55 -4.61 117.38 121.27 3dft n GLN 339 Ca 0.00 -0.04 -0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3dft n GLN 339 Cb 0.00 -0.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.84 3dft n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dft n GLY 340 N 0.66 0.46 1.76 1.08 0.00 -0.13 -4.90 105.19 104.11 3dft n GLY 340 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3dft n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dft n LYS 341 N -2.63 4.38 -2.90 1.61 5.02 0.23 -4.88 118.16 118.99 3dft n LYS 341 Ca -0.00 -3.00 -0.40 0.00 -2.02 0.00 0.00 58.31 52.88 3dft n LYS 341 Cb 0.05 -2.11 -0.05 0.00 -0.02 0.00 0.00 35.03 32.90 3dft n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dft s TYR 342 N -2.36 3.75 -0.02 2.13 5.04 -1.18 -4.78 117.35 119.93 3dft s TYR 342 Ca 0.53 1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 56.68 3dft s TYR 342 Cb 0.38 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.79 3dft s TYR 342 CO 0.20 0.23 0.11 0.95 -1.34 0.00 0.00 175.55 175.70 3dft s THR 343 N 0.05 0.04 0.56 4.34 -4.23 -1.26 -4.97 115.64 110.18 3dft s THR 343 Ca 0.42 -0.37 0.33 0.00 -1.18 0.00 0.00 61.69 60.88 3dft s THR 343 Cb -0.21 -0.28 0.48 0.00 1.34 0.00 0.00 72.50 73.83 3dft s THR 343 CO 0.25 -0.20 1.82 -0.65 -0.54 0.00 0.00 174.62 175.29 3dft h PRO 344 N 5.17 0.00 -0.21 3.99 0.11 -1.98 0.49 132.00 139.57 3dft h PRO 344 Ca -0.28 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.64 3dft h PRO 344 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dft h PRO 344 CO 0.42 0.00 -0.62 0.66 -0.21 0.00 0.00 178.00 178.25 3dft h SER 345 N 0.00 0.92 0.00 -2.05 4.64 -2.01 -3.48 113.55 111.57 3dft h SER 345 Ca 0.43 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dft h SER 345 Cb 1.88 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3dft h SER 345 CO -0.00 1.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 3dft n GLY 346 N 0.53 1.27 2.64 -0.77 0.00 0.16 -5.23 105.19 103.79 3dft n GLY 346 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3dft n GLY 346 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dft n GLN 347 N -1.34 1.35 -1.51 1.61 -0.06 -1.26 -4.97 117.38 111.20 3dft n GLN 347 Ca 0.00 -1.33 -0.13 0.00 -2.00 0.00 0.00 57.00 53.54 3dft n GLN 347 Cb 0.00 0.32 -0.10 0.00 -4.06 0.00 0.00 30.24 26.40 3dft n GLN 347 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3dft n SER 359 N -1.46 0.96 -0.32 1.69 2.88 -1.26 -4.74 113.62 111.36 3dft n SER 359 Ca -0.17 -1.92 0.20 0.00 -1.33 0.00 0.00 58.87 55.65 3dft n SER 359 Cb 0.87 -1.52 0.39 0.00 -0.75 0.00 0.00 64.21 63.21 3dft n SER 359 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3dft h ASN 360 N 11.71 0.16 -0.01 -3.46 -1.24 -2.03 -0.81 115.58 119.90 3dft h ASN 360 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3dft h ASN 360 Cb 1.01 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.31 3dft h ASN 360 CO 1.04 -0.22 0.00 1.41 -1.29 0.00 0.00 177.43 178.38 3dft n HIS 361 N -5.21 0.01 0.12 0.67 8.25 -1.26 -3.29 115.22 114.51 3dft n HIS 361 Ca 0.27 -0.01 0.06 0.00 -0.26 0.00 0.00 57.72 57.79 3dft n HIS 361 Cb 0.88 0.00 0.24 0.00 1.12 0.00 0.00 29.99 32.23 3dft n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dft n ALA 362 N -0.77 2.95 -0.23 -1.41 0.00 -0.31 -5.31 120.51 115.43 3dft n ALA 362 Ca 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3dft n ALA 362 Cb 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3dft n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16