#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fak s ALA 2 N 0.00 3.41 0.76 3.17 0.00 -1.26 -5.04 121.76 122.80 3fak s ALA 2 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3fak s ALA 2 Cb 0.00 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.25 3fak s ALA 2 CO 0.00 0.08 0.81 0.41 0.00 0.00 0.00 175.76 177.06 3fak n GLY 3 N 2.55 -0.88 0.24 0.00 0.00 -1.26 -4.83 105.19 101.01 3fak n GLY 3 Ca -0.04 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3fak n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fak h PRO 4 N -0.53 0.00 -0.02 1.61 0.13 -2.00 -2.90 132.00 128.29 3fak h PRO 4 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3fak h PRO 4 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 3fak h PRO 4 CO 0.44 0.18 0.01 0.93 -0.23 0.00 0.00 178.00 179.33 3fak h GLU 5 N 0.00 0.04 -0.70 0.86 3.07 -1.89 -1.33 114.58 114.63 3fak h GLU 5 Ca -0.00 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 3fak h GLU 5 Cb 0.47 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3fak h GLU 5 CO 0.02 0.27 0.21 0.97 -1.40 0.00 0.00 179.01 179.09 3fak h ILE 6 N -0.20 1.26 -0.08 3.13 6.09 -1.87 0.15 117.51 125.99 3fak h ILE 6 Ca 0.01 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 3fak h ILE 6 Cb 0.25 0.51 -0.00 0.00 0.47 0.00 0.00 36.82 38.04 3fak h ILE 6 CO 0.00 0.35 0.05 0.58 -3.07 0.00 0.00 178.15 176.06 3fak h VAL 7 N 1.04 1.03 -0.25 2.19 2.07 -1.45 0.15 116.25 121.02 3fak h VAL 7 Ca 0.23 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 3fak h VAL 7 Cb 0.31 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3fak h VAL 7 CO -0.01 0.03 -0.31 0.50 0.02 0.00 0.00 177.57 177.80 3fak h LYS 8 N 0.10 0.52 -0.31 1.57 3.64 -1.06 -2.37 116.57 118.66 3fak h LYS 8 Ca 0.03 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3fak h LYS 8 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3fak h LYS 8 CO -0.01 0.77 0.12 1.25 -2.27 0.00 0.00 179.45 179.32 3fak h LEU 9 N 0.45 0.43 -1.31 5.20 5.85 -0.26 -0.97 115.31 124.69 3fak h LEU 9 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3fak h LEU 9 Cb 0.76 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3fak h LEU 9 CO 0.06 0.48 0.32 0.11 -0.34 0.00 0.00 178.44 179.07 3fak h LYS 10 N 0.36 0.79 0.29 1.25 1.57 -0.59 -0.62 116.57 119.61 3fak h LYS 10 Ca 0.10 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3fak h LYS 10 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3fak h LYS 10 CO -0.01 0.58 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.09 3fak h LYS 11 N 0.80 -0.38 -0.95 3.15 3.64 -0.98 -1.67 116.57 120.18 3fak h LYS 11 Ca 0.21 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3fak h LYS 11 Cb 0.01 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 3fak h LYS 11 CO -0.03 -0.18 0.62 0.82 -2.27 0.00 0.00 179.45 178.40 3fak h ILE 12 N -0.50 1.17 -0.43 2.00 2.04 -0.80 -1.92 117.51 119.07 3fak h ILE 12 Ca -0.04 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 3fak h ILE 12 Cb 0.37 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3fak h ILE 12 CO 0.07 0.22 -0.18 -0.07 0.00 0.00 0.00 178.15 178.19 3fak h LEU 13 N 1.21 0.83 -0.84 1.44 3.38 -1.01 -2.40 115.31 117.91 3fak h LEU 13 Ca 0.37 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3fak h LEU 13 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3fak h LEU 13 CO -0.12 1.00 -0.43 0.03 0.09 0.00 0.00 178.44 179.01 3fak h ARG 14 N 0.73 0.31 -0.40 1.13 3.08 -0.93 -1.33 114.38 116.97 3fak h ARG 14 Ca 0.11 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3fak h ARG 14 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3fak h ARG 14 CO 0.05 0.69 -0.03 1.49 -1.07 0.00 0.00 179.97 181.10 3fak h GLU 15 N 0.26 0.72 0.00 0.04 4.22 -1.16 -3.16 114.58 115.50 3fak h GLU 15 Ca 0.02 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.21 3fak h GLU 15 Cb 0.87 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3fak h GLU 15 CO 0.07 0.83 -0.29 1.63 -2.18 0.00 0.00 179.01 179.07 3fak n LYS 16 N -4.41 0.16 -1.98 1.92 5.02 -0.92 -4.92 118.16 113.03 3fak n LYS 16 Ca -0.01 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 3fak n LYS 16 Cb 0.31 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 3fak n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fak s ALA 17 N -3.08 3.18 0.18 7.82 0.00 -0.51 -4.99 121.76 124.37 3fak s ALA 17 Ca 0.10 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 3fak s ALA 17 Cb 0.15 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3fak s ALA 17 CO 0.64 -0.96 0.88 0.08 0.00 0.00 0.00 175.76 176.40 3fak s VAL 18 N -1.28 4.28 0.22 0.00 1.01 -1.26 -4.99 120.40 118.39 3fak s VAL 18 Ca 0.60 1.94 -0.31 0.00 0.00 0.00 0.00 61.98 64.21 3fak s VAL 18 Cb -0.39 -4.26 -0.15 0.00 0.00 0.00 0.00 36.38 31.59 3fak s VAL 18 CO 0.49 0.46 1.18 -2.65 0.00 0.00 0.00 175.10 174.59 3fak n PRO 19 N 1.84 1.43 -1.66 2.72 -0.02 -1.26 -4.88 135.00 133.16 3fak n PRO 19 Ca -0.02 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3fak n PRO 19 Cb 0.48 -2.01 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3fak n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fak n PRO 20 N 1.51 1.82 0.00 0.52 -0.02 -1.26 -2.18 135.00 135.39 3fak n PRO 20 Ca 0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3fak n PRO 20 Cb 0.28 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3fak n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fak n GLY 21 N 0.93 2.84 3.67 -1.23 0.00 -1.26 -5.01 105.19 105.12 3fak n GLY 21 Ca 0.07 -0.75 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 3fak n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fak n THR 22 N 0.00 0.24 -3.16 2.61 -2.24 -0.93 -4.91 114.28 105.89 3fak n THR 22 Ca 0.00 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 3fak n THR 22 Cb 0.00 -1.64 -0.07 0.00 -2.10 0.00 0.00 70.33 66.52 3fak n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fak s GLU 23 N 2.19 3.35 -0.20 -0.78 2.02 -1.26 -4.97 118.70 119.06 3fak s GLU 23 Ca 0.85 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 55.31 3fak s GLU 23 Cb -0.70 -3.92 -0.03 0.00 0.10 0.00 0.00 34.13 29.58 3fak s GLU 23 CO 0.44 -0.90 0.49 0.08 0.02 0.00 0.00 175.26 175.39 3fak s VAL 24 N 2.65 5.13 0.66 2.63 1.01 -1.26 -5.04 120.40 126.18 3fak s VAL 24 Ca 0.21 0.91 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 3fak s VAL 24 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3fak s VAL 24 CO 0.17 0.20 0.81 -2.65 0.00 0.00 0.00 175.10 173.63 3fak n PRO 25 N 4.67 0.59 -0.01 2.72 -0.02 -1.26 -4.76 135.00 136.94 3fak n PRO 25 Ca -0.06 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 3fak n PRO 25 Cb 0.51 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 3fak n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fak h LEU 26 N 0.04 0.12 -2.03 2.45 6.46 -2.00 -2.05 115.31 118.30 3fak h LEU 26 Ca -0.47 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.28 3fak h LEU 26 Cb 1.36 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 3fak h LEU 26 CO 0.47 0.10 0.02 -2.24 -0.62 0.00 0.00 178.44 176.18 3fak h ASP 27 N 0.13 0.00 -0.25 1.25 2.03 -1.98 0.41 116.42 118.01 3fak h ASP 27 Ca 0.04 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.22 3fak h ASP 27 Cb -0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3fak h ASP 27 CO -0.01 0.00 -0.31 0.58 -1.03 0.00 0.00 179.24 178.47 3fak h VAL 28 N 0.00 1.31 -0.48 4.15 2.07 -1.81 -0.90 116.25 120.60 3fak h VAL 28 Ca 0.01 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 3fak h VAL 28 Cb 0.05 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3fak h VAL 28 CO -0.00 0.47 0.06 0.24 0.02 0.00 0.00 177.57 178.36 3fak h MET 29 N 0.37 0.81 -0.57 1.57 2.86 -0.62 -0.56 114.93 118.79 3fak h MET 29 Ca 0.03 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3fak h MET 29 Cb 0.88 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3fak h MET 29 CO 0.07 0.82 0.37 0.00 1.06 0.00 0.00 176.91 179.24 3fak h ARG 30 N 0.67 0.74 -0.06 1.72 3.08 -0.87 -0.95 114.38 118.72 3fak h ARG 30 Ca 0.14 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3fak h ARG 30 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3fak h ARG 30 CO 0.01 0.49 -0.61 0.87 -1.07 0.00 0.00 179.97 179.66 3fak h LYS 31 N 0.76 0.20 -0.37 0.04 1.57 -1.05 -2.54 116.57 115.18 3fak h LYS 31 Ca 0.21 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3fak h LYS 31 Cb -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3fak h LYS 31 CO -0.06 0.75 0.01 0.78 -0.57 0.00 0.00 179.45 180.37 3fak h GLY 32 N 1.54 0.70 1.02 3.86 0.00 -0.68 0.14 103.07 109.65 3fak h GLY 32 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 3fak h GLY 32 CO 0.09 0.46 0.32 1.98 0.00 0.00 0.00 176.54 179.40 3fak h MET 33 N 0.47 1.08 -0.29 4.80 1.85 -1.13 -1.78 114.93 119.93 3fak h MET 33 Ca 0.11 -0.18 -0.03 0.00 -0.61 0.00 0.00 59.70 58.99 3fak h MET 33 Cb 0.44 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 3fak h MET 33 CO 0.02 0.87 0.07 0.93 -0.40 0.00 0.00 176.91 178.39 3fak h GLU 34 N 1.05 0.47 -0.86 0.39 4.39 -1.31 -2.60 114.58 116.11 3fak h GLU 34 Ca 0.25 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.85 3fak h GLU 34 Cb 0.17 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3fak h GLU 34 CO -0.03 0.55 0.57 1.57 -1.16 0.00 0.00 179.01 180.52 3fak h LYS 35 N 0.31 1.11 -0.19 2.33 5.09 -0.64 -2.90 116.57 121.67 3fak h LYS 35 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.76 3fak h LYS 35 Cb 0.30 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 32.38 3fak h LYS 35 CO 0.00 0.74 0.00 1.33 -2.09 0.00 0.00 179.45 179.43 3fak n VAL 36 N -4.50 0.24 -1.91 0.07 0.24 -0.70 -4.96 118.33 106.81 3fak n VAL 36 Ca 0.10 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 3fak n VAL 36 Cb 0.04 0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 32.97 3fak n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fak s ALA 37 N -1.76 3.56 0.33 2.33 0.00 -0.98 -4.96 121.76 120.26 3fak s ALA 37 Ca 0.34 1.46 -0.28 0.00 0.00 0.00 0.00 51.96 53.49 3fak s ALA 37 Cb 0.19 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3fak s ALA 37 CO 0.28 -0.91 1.11 -0.06 0.00 0.00 0.00 175.76 176.19 3fak s PHE 38 N -1.04 3.41 0.19 0.00 0.08 -1.26 -5.01 117.98 114.35 3fak s PHE 38 Ca 0.52 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.92 3fak s PHE 38 Cb -0.44 -3.29 -0.08 0.00 -0.57 0.00 0.00 43.02 38.64 3fak s PHE 38 CO 0.58 -0.76 1.03 0.21 -0.10 0.00 0.00 175.22 176.19 3fak s LYS 39 N -1.81 4.69 0.66 0.44 2.20 -1.26 -4.29 119.74 120.37 3fak s LYS 39 Ca 0.49 1.61 -0.15 0.00 -0.36 0.00 0.00 55.97 57.56 3fak s LYS 39 Cb -0.30 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3fak s LYS 39 CO 0.39 0.23 1.11 0.00 -0.36 0.00 0.00 175.35 176.72 3fak s ALA 40 N -0.51 2.45 0.50 3.13 0.00 -1.26 -4.81 121.76 121.26 3fak s ALA 40 Ca 0.46 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 3fak s ALA 40 Cb -0.27 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 3fak s ALA 40 CO 0.34 -1.30 1.03 0.00 0.00 0.00 0.00 175.76 175.82 3fak n ALA 41 N -2.43 0.37 0.33 0.00 0.00 -1.26 -4.86 120.51 112.65 3fak n ALA 41 Ca 0.10 0.14 0.22 0.00 0.00 0.00 0.00 53.44 53.90 3fak n ALA 41 Cb 0.52 -2.12 1.18 0.00 0.00 0.00 0.00 19.45 19.03 3fak n ALA 41 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3fak h ASP 42 N 1.19 0.00 -0.58 0.00 2.03 -2.04 -1.61 116.42 115.40 3fak h ASP 42 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3fak h ASP 42 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 3fak h ASP 42 CO 0.55 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.86 3fak n ASP 43 N -3.02 3.16 -4.61 4.15 3.85 -1.26 -4.84 116.55 113.98 3fak n ASP 43 Ca -0.03 -2.01 -0.40 0.00 -0.71 0.00 0.00 54.79 51.63 3fak n ASP 43 Cb 0.07 -0.40 -0.07 0.00 -1.35 0.00 0.00 41.12 39.37 3fak n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3fak s ILE 44 N -1.24 5.01 0.06 2.12 -1.09 -0.61 -4.06 121.20 121.39 3fak s ILE 44 Ca 0.39 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 3fak s ILE 44 Cb 0.21 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3fak s ILE 44 CO 0.26 -0.02 0.18 0.00 -1.23 0.00 0.00 174.94 174.14 3fak s GLN 45 N 2.44 3.33 0.05 2.79 -2.07 -0.15 -4.94 119.66 121.10 3fak s GLN 45 Ca 0.23 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 3fak s GLN 45 Cb -0.15 -2.98 -0.03 0.00 -1.09 0.00 0.00 33.01 28.76 3fak s GLN 45 CO 0.10 0.61 -0.07 0.54 -1.32 0.00 0.00 175.29 175.14 3fak s VAL 46 N -1.47 0.53 -0.07 3.63 0.11 -1.26 -0.83 120.40 121.04 3fak s VAL 46 Ca 0.33 -1.16 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 3fak s VAL 46 Cb -0.13 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3fak s VAL 46 CO 0.26 -0.44 0.12 -0.70 -3.33 0.00 0.00 175.10 171.01 3fak s GLU 47 N -1.82 -0.01 0.20 1.54 2.12 -0.58 -4.94 118.70 115.21 3fak s GLU 47 Ca -0.08 0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 3fak s GLU 47 Cb -0.08 -0.43 -0.08 0.00 0.26 0.00 0.00 34.13 33.80 3fak s GLU 47 CO -0.00 -0.33 1.16 -0.65 -0.54 0.00 0.00 175.26 174.89 3fak s GLN 48 N 2.24 4.54 0.07 4.30 -0.21 -1.26 -0.48 119.66 128.86 3fak s GLN 48 Ca 0.04 1.83 -0.10 0.00 0.02 0.00 0.00 55.36 57.15 3fak s GLN 48 Cb -0.12 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.65 3fak s GLN 48 CO -0.05 -0.00 0.21 0.14 -2.12 0.00 0.00 175.29 173.47 3fak s VAL 49 N -0.28 0.12 -0.11 1.09 -7.23 0.08 -4.94 120.40 109.14 3fak s VAL 49 Ca 0.51 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 3fak s VAL 49 Cb -0.32 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 3fak s VAL 49 CO 0.37 -0.56 -0.15 0.28 -0.31 0.00 0.00 175.10 174.73 3fak s THR 50 N -3.35 2.87 -0.11 5.32 -1.32 -1.26 -0.42 115.64 117.36 3fak s THR 50 Ca 0.01 -0.74 0.01 0.00 -1.21 0.00 0.00 61.69 59.76 3fak s THR 50 Cb 0.02 -2.18 0.02 0.00 -1.51 0.00 0.00 72.50 68.86 3fak s THR 50 CO -0.08 0.54 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.06 3fak s VAL 51 N 0.18 1.26 -1.46 5.08 1.01 0.41 -4.82 120.40 122.06 3fak s VAL 51 Ca -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3fak s VAL 51 Cb -0.15 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3fak s VAL 51 CO 0.05 0.40 0.55 0.00 0.00 0.00 0.00 175.10 176.10 3fak n ALA 52 N 4.46 -1.83 -0.91 5.51 0.00 -1.26 -0.27 120.51 126.21 3fak n ALA 52 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3fak n ALA 52 Cb 0.51 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3fak n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fak n GLY 53 N -1.83 0.36 3.56 0.00 0.00 -1.26 -4.98 105.19 101.03 3fak n GLY 53 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3fak n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fak s ALA 55 N -1.29 2.93 0.24 0.00 0.00 -1.26 -0.45 121.76 121.93 3fak s ALA 55 Ca 0.21 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 3fak s ALA 55 Cb -0.11 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3fak s ALA 55 CO 0.13 -0.28 0.64 0.00 0.00 0.00 0.00 175.76 176.26 3fak s ALA 56 N -1.91 -1.17 -0.01 0.00 0.00 0.43 -1.05 121.76 118.06 3fak s ALA 56 Ca 0.65 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3fak s ALA 56 Cb -0.17 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3fak s ALA 56 CO 0.21 -0.93 -0.03 -1.21 0.00 0.00 0.00 175.76 173.81 3fak s GLU 57 N -3.88 0.31 -0.12 0.00 2.02 -0.84 -0.74 118.70 115.44 3fak s GLU 57 Ca 0.10 -0.07 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 3fak s GLU 57 Cb -0.04 -0.35 -0.02 0.00 0.10 0.00 0.00 34.13 33.82 3fak s GLU 57 CO 0.01 0.01 0.80 -1.58 0.02 0.00 0.00 175.26 174.53 3fak s TRP 58 N 0.24 3.49 -0.36 1.61 0.52 0.37 -0.95 118.94 123.87 3fak s TRP 58 Ca -0.02 1.29 -0.04 0.00 0.02 0.00 0.00 56.10 57.35 3fak s TRP 58 Cb -0.05 -2.95 0.07 0.00 -1.15 0.00 0.00 33.47 29.39 3fak s TRP 58 CO -0.01 -0.11 0.11 0.08 0.02 0.00 0.00 176.95 177.04 3fak s VAL 59 N 1.61 3.34 -0.22 4.03 1.01 0.14 -1.52 120.40 128.79 3fak s VAL 59 Ca 0.39 -1.58 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 3fak s VAL 59 Cb -0.17 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.17 3fak s VAL 59 CO 0.16 -0.36 -0.11 -0.13 0.00 0.00 0.00 175.10 174.65 3fak s ARG 60 N 1.25 2.89 0.69 2.72 0.52 -0.01 -1.17 118.95 125.84 3fak s ARG 60 Ca 0.01 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.25 3fak s ARG 60 Cb -0.21 -2.83 0.07 0.00 0.52 0.00 0.00 34.95 32.50 3fak s ARG 60 CO -0.01 -0.33 0.98 0.00 0.02 0.00 0.00 175.30 175.96 3fak s ALA 61 N 1.31 3.33 0.62 2.13 0.00 -1.26 -0.98 121.76 126.90 3fak s ALA 61 Ca 0.02 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 3fak s ALA 61 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 3fak s ALA 61 CO -0.07 -1.25 1.09 -1.25 0.00 0.00 0.00 175.76 174.28 3fak s PRO 62 N -5.16 3.07 0.00 0.00 0.04 -1.26 -3.71 135.00 127.98 3fak s PRO 62 Ca 0.61 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3fak s PRO 62 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3fak s PRO 62 CO 0.44 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3fak n GLY 63 N -0.56 0.68 3.73 0.56 0.00 -1.26 -4.79 105.19 103.54 3fak n GLY 63 Ca 0.10 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3fak n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fak s GLN 65 N 0.25 4.58 0.44 0.00 -0.44 0.04 -4.92 119.66 119.61 3fak s GLN 65 Ca 0.53 1.29 -0.24 0.00 -2.50 0.00 0.00 55.36 54.43 3fak s GLN 65 Cb -0.28 -3.40 -0.08 0.00 -1.64 0.00 0.00 33.01 27.61 3fak s GLN 65 CO 0.32 0.14 1.21 0.00 0.50 0.00 0.00 175.29 177.46 3fak s ALA 66 N 0.35 3.07 0.00 1.58 0.00 -1.26 -3.16 121.76 122.34 3fak s ALA 66 Ca 0.45 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3fak s ALA 66 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3fak s ALA 66 CO 0.26 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3fak n GLY 67 N 0.58 1.91 3.62 0.00 0.00 -1.26 -5.05 105.19 104.99 3fak n GLY 67 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3fak n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fak s LYS 68 N -0.70 2.28 0.07 1.61 1.02 -1.19 -4.56 119.74 118.28 3fak s LYS 68 Ca 0.00 -0.99 -0.21 0.00 0.02 0.00 0.00 55.97 54.79 3fak s LYS 68 Cb 0.00 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.98 3fak s LYS 68 CO 0.00 0.51 0.50 0.00 -0.92 0.00 0.00 175.35 175.44 3fak s ALA 69 N -1.32 -1.27 -0.13 5.17 0.00 -1.00 -3.92 121.76 119.29 3fak s ALA 69 Ca 0.24 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3fak s ALA 69 Cb -0.11 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3fak s ALA 69 CO 0.16 -0.55 -0.23 0.42 0.00 0.00 0.00 175.76 175.56 3fak s ILE 70 N -2.82 2.07 -0.32 0.00 1.01 -0.32 -2.14 121.20 118.69 3fak s ILE 70 Ca -0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 3fak s ILE 70 Cb -0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 3fak s ILE 70 CO -0.05 0.55 0.63 -0.22 0.00 0.00 0.00 174.94 175.86 3fak s LEU 71 N 0.64 4.17 -0.16 2.97 2.96 0.59 0.64 118.68 130.49 3fak s LEU 71 Ca -0.11 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3fak s LEU 71 Cb -0.16 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 3fak s LEU 71 CO 0.02 -0.51 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.03 3fak s TYR 72 N 2.64 3.01 -0.32 5.38 6.14 -0.15 -1.18 117.35 132.88 3fak s TYR 72 Ca 0.25 -0.35 -0.03 0.00 0.64 0.00 0.00 57.07 57.59 3fak s TYR 72 Cb -0.15 -1.96 0.05 0.00 0.42 0.00 0.00 41.96 40.33 3fak s TYR 72 CO 0.13 -0.07 0.03 -0.51 0.64 0.00 0.00 175.55 175.77 3fak s LEU 73 N 0.42 4.07 0.66 6.97 1.43 0.75 -3.16 118.68 129.82 3fak s LEU 73 Ca -0.04 -1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 51.61 3fak s LEU 73 Cb -0.14 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 3fak s LEU 73 CO 0.03 -0.29 1.10 -1.38 0.23 0.00 0.00 176.35 176.04 3fak s HIS 74 N 1.27 2.66 0.61 0.29 -3.43 -1.26 -2.55 115.29 112.88 3fak s HIS 74 Ca -0.04 1.55 -0.06 0.00 -0.80 0.00 0.00 55.06 55.71 3fak s HIS 74 Cb -0.20 -3.15 0.13 0.00 -1.43 0.00 0.00 32.58 27.94 3fak s HIS 74 CO -0.01 -1.64 0.84 0.41 -2.00 0.00 0.00 174.74 172.34 3fak n GLY 75 N -0.61 -0.39 0.00 -1.38 0.00 -1.08 -3.42 105.19 98.31 3fak n GLY 75 Ca 0.10 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3fak n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fak n GLY 76 N -0.85 0.88 2.28 -0.02 0.00 -1.26 -4.36 105.19 101.85 3fak n GLY 76 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3fak n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fak n GLY 77 N 0.00 0.80 2.99 -0.02 0.00 -1.26 -0.87 105.19 106.83 3fak n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fak n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fak n TYR 78 N -2.59 0.00 0.00 1.61 4.02 -1.26 -4.69 117.16 114.24 3fak n TYR 78 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3fak n TYR 78 Cb 0.56 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 3fak n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3fak n VAL 79 N -2.26 0.00 -3.72 -0.72 0.24 -0.63 -0.91 118.33 110.33 3fak n VAL 79 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3fak n VAL 79 Cb 0.14 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 3fak n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3fak n MET 80 N -1.13 0.00 0.00 7.34 0.00 -0.05 -4.70 117.12 118.58 3fak n MET 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3fak n MET 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3fak n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3fak n GLY 81 N 0.00 -0.04 1.87 3.17 0.00 -1.26 -4.24 105.19 104.69 3fak n GLY 81 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 3fak n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fak n SER 82 N -0.95 -0.92 -0.15 1.61 3.41 -1.26 -4.97 113.62 110.39 3fak n SER 82 Ca 0.00 -1.53 -0.07 0.00 -0.26 0.00 0.00 58.87 57.01 3fak n SER 82 Cb 0.00 1.50 0.02 0.00 -0.26 0.00 0.00 64.21 65.47 3fak n SER 82 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3fak h ILE 83 N 1.48 1.09 -0.71 -1.33 2.04 -1.90 -2.77 117.51 115.41 3fak h ILE 83 Ca -0.14 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3fak h ILE 83 Cb 0.59 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3fak h ILE 83 CO 0.19 0.11 0.37 -1.13 0.00 0.00 0.00 178.15 177.68 3fak h ASN 84 N 0.60 0.91 0.78 1.72 -1.24 -1.99 -0.16 115.58 116.21 3fak h ASN 84 Ca 0.18 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 3fak h ASN 84 Cb -0.04 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.78 3fak h ASN 84 CO -0.06 0.76 -0.16 0.71 -1.29 0.00 0.00 177.43 177.39 3fak h THR 85 N 0.99 0.46 -0.01 -3.57 1.35 -1.83 -3.26 112.91 107.04 3fak h THR 85 Ca 0.25 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3fak h THR 85 Cb 0.08 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3fak h THR 85 CO -0.04 0.16 -0.09 1.41 -0.25 0.00 0.00 175.52 176.71 3fak n HIS 86 N -3.39 0.00 -0.30 4.73 8.25 -1.09 -4.66 115.22 118.75 3fak n HIS 86 Ca -0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3fak n HIS 86 Cb 0.36 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.81 3fak n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3fak h ARG 87 N 1.40 0.75 0.31 -0.41 2.43 -1.07 -0.70 114.38 117.09 3fak h ARG 87 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3fak h ARG 87 Cb 0.34 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3fak h ARG 87 CO 0.00 0.50 -0.15 1.03 -1.51 0.00 0.00 179.97 179.84 3fak h SER 88 N 0.78 -0.35 -0.77 -3.80 0.87 -1.83 -1.10 113.55 107.35 3fak h SER 88 Ca 0.48 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3fak h SER 88 Cb 0.69 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3fak h SER 88 CO -0.24 -0.03 0.31 -0.03 -0.53 0.00 0.00 176.83 176.31 3fak h MET 89 N -0.69 1.15 -0.13 2.24 1.85 -1.84 -2.41 114.93 115.10 3fak h MET 89 Ca -0.04 -0.21 -0.09 0.00 -0.61 0.00 0.00 59.70 58.75 3fak h MET 89 Cb 0.48 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 3fak h MET 89 CO 0.07 0.93 -0.34 0.28 -0.40 0.00 0.00 176.91 177.46 3fak h VAL 90 N 1.13 1.28 -0.62 -5.77 2.07 -1.14 -1.56 116.25 111.63 3fak h VAL 90 Ca 0.26 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 3fak h VAL 90 Cb 0.21 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3fak h VAL 90 CO -0.02 0.40 0.18 1.23 0.02 0.00 0.00 177.57 179.38 3fak h GLY 91 N 1.10 1.05 2.00 2.17 0.00 -0.77 -0.61 103.07 108.01 3fak h GLY 91 Ca 0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 3fak h GLY 91 CO 0.05 0.59 -0.52 0.83 0.00 0.00 0.00 176.54 177.50 3fak h GLU 92 N 0.89 0.00 -0.16 4.80 4.39 -1.04 -1.32 114.58 122.14 3fak h GLU 92 Ca 0.20 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.72 3fak h GLU 92 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3fak h GLU 92 CO -0.00 0.52 -0.63 0.82 -1.16 0.00 0.00 179.01 178.55 3fak h ILE 93 N 0.00 1.32 -0.63 3.13 2.04 -0.90 -1.87 117.51 120.60 3fak h ILE 93 Ca -0.01 -1.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.89 3fak h ILE 93 Cb 0.92 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 3fak h ILE 93 CO 0.07 0.59 0.16 -1.28 0.00 0.00 0.00 178.15 177.69 3fak h SER 94 N 0.43 0.92 -0.18 1.72 0.87 -0.82 -1.15 113.55 115.35 3fak h SER 94 Ca -0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3fak h SER 94 Cb 1.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3fak h SER 94 CO 0.12 0.89 0.06 -0.09 -0.53 0.00 0.00 176.83 177.28 3fak h ARG 95 N 0.94 0.27 -0.13 2.24 2.43 -0.97 -0.53 114.38 118.64 3fak h ARG 95 Ca 0.20 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3fak h ARG 95 Cb 0.32 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3fak h ARG 95 CO -0.00 0.36 -0.48 0.00 -1.51 0.00 0.00 179.97 178.35 3fak h ALA 96 N 0.89 0.95 -0.00 2.80 0.00 -1.19 -3.15 119.26 119.56 3fak h ALA 96 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3fak h ALA 96 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fak h ALA 96 CO -0.00 0.65 -0.55 -1.13 0.00 0.00 0.00 179.25 178.21 3fak n SER 97 N -3.98 0.67 -3.69 0.00 3.41 -0.45 -4.21 113.62 105.37 3fak n SER 97 Ca -0.02 -0.46 -0.24 0.00 -0.26 0.00 0.00 58.87 57.88 3fak n SER 97 Cb 0.54 0.36 0.06 0.00 -0.26 0.00 0.00 64.21 64.90 3fak n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fak n GLN 98 N -1.38 -6.48 -3.81 4.33 6.02 -0.23 -4.71 117.38 111.12 3fak n GLN 98 Ca 0.06 0.73 -0.12 0.00 -0.01 0.00 0.00 57.00 57.65 3fak n GLN 98 Cb 0.34 -5.64 -0.11 0.00 1.02 0.00 0.00 30.24 25.85 3fak n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fak s ALA 99 N -3.38 -0.56 0.50 -1.58 0.00 -1.06 -0.78 121.76 114.90 3fak s ALA 99 Ca 0.41 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 3fak s ALA 99 Cb -0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 3fak s ALA 99 CO 0.78 -0.17 1.08 0.00 0.00 0.00 0.00 175.76 177.44 3fak s ALA 100 N -0.56 2.82 -0.01 0.00 0.00 -1.25 -4.42 121.76 118.34 3fak s ALA 100 Ca -0.07 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.66 3fak s ALA 100 Cb -0.04 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3fak s ALA 100 CO 0.01 -0.48 -0.18 0.00 0.00 0.00 0.00 175.76 175.11 3fak s ALA 101 N -1.87 2.51 -0.44 0.00 0.00 -0.32 -1.18 121.76 120.47 3fak s ALA 101 Ca 0.69 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 3fak s ALA 101 Cb -0.20 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.18 3fak s ALA 101 CO 0.23 0.55 0.34 -1.17 0.00 0.00 0.00 175.76 175.71 3fak s LEU 102 N -0.92 5.32 -0.49 0.00 0.20 0.21 0.26 118.68 123.26 3fak s LEU 102 Ca 0.12 -1.08 -0.18 0.00 0.69 0.00 0.00 54.13 53.68 3fak s LEU 102 Cb -0.10 -2.17 0.06 0.00 -0.43 0.00 0.00 46.19 43.55 3fak s LEU 102 CO 0.02 -0.53 0.57 -0.22 -0.29 0.00 0.00 176.35 175.90 3fak s LEU 103 N 1.66 5.06 -0.03 -0.68 2.96 -0.12 -0.97 118.68 126.55 3fak s LEU 103 Ca 0.05 -0.95 -0.24 0.00 -0.22 0.00 0.00 54.13 52.76 3fak s LEU 103 Cb -0.21 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3fak s LEU 103 CO 0.09 -0.83 0.74 -0.22 -1.32 0.00 0.00 176.35 174.81 3fak s LEU 104 N 2.43 4.36 -1.18 -0.68 0.20 -1.19 -1.98 118.68 120.65 3fak s LEU 104 Ca 0.13 1.30 -0.08 0.00 0.69 0.00 0.00 54.13 56.17 3fak s LEU 104 Cb -0.20 -3.16 0.23 0.00 -0.43 0.00 0.00 46.19 42.64 3fak s LEU 104 CO 0.11 -0.09 1.60 -0.67 -0.29 0.00 0.00 176.35 177.02 3fak n ASP 105 N 3.50 5.68 -4.75 3.68 2.03 -0.21 -4.68 116.55 121.80 3fak n ASP 105 Ca -0.01 -3.21 -0.32 0.00 0.52 0.00 0.00 54.79 51.77 3fak n ASP 105 Cb 0.51 -1.40 0.09 0.00 -0.72 0.00 0.00 41.12 39.61 3fak n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3fak s TYR 106 N -0.91 2.37 0.33 -0.67 -0.85 -1.26 -4.28 117.35 112.07 3fak s TYR 106 Ca 0.36 1.60 -0.29 0.00 -0.52 0.00 0.00 57.07 58.22 3fak s TYR 106 Cb 0.05 -3.18 -0.11 0.00 0.38 0.00 0.00 41.96 39.10 3fak s TYR 106 CO 0.04 -2.03 1.51 1.03 -1.52 0.00 0.00 175.55 174.58 3fak s ARG 107 N -4.52 4.14 0.21 -3.49 0.52 -1.26 -5.01 118.95 109.53 3fak s ARG 107 Ca 0.65 2.53 0.08 0.00 -0.52 0.00 0.00 55.73 58.47 3fak s ARG 107 Cb -0.20 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3fak s ARG 107 CO 0.51 -0.54 0.02 -0.51 0.02 0.00 0.00 175.30 174.81 3fak s LEU 108 N -1.30 3.34 0.44 2.53 1.43 -1.26 -4.11 118.68 119.75 3fak s LEU 108 Ca 0.57 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3fak s LEU 108 Cb -0.46 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3fak s LEU 108 CO 0.55 0.05 0.69 0.00 0.23 0.00 0.00 176.35 177.86 3fak s ALA 109 N -1.95 3.58 -0.84 4.21 0.00 -0.09 -0.51 121.76 126.16 3fak s ALA 109 Ca 0.29 -0.79 0.26 0.00 0.00 0.00 0.00 51.96 51.72 3fak s ALA 109 Cb -0.08 -2.32 0.98 0.00 0.00 0.00 0.00 23.12 21.70 3fak s ALA 109 CO 0.20 -0.28 1.80 -0.35 0.00 0.00 0.00 175.76 177.12 3fak n PRO 110 N -2.08 0.12 -0.36 0.00 -0.04 -1.26 -4.25 135.00 127.14 3fak n PRO 110 Ca -0.01 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 3fak n PRO 110 Cb 0.56 -1.66 0.15 0.00 -0.04 0.00 0.00 33.50 32.51 3fak n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3fak h GLU 111 N 0.00 1.14 -2.92 0.54 3.07 -1.92 -3.32 114.58 111.16 3fak h GLU 111 Ca 0.00 -0.07 -0.61 0.00 -0.50 0.00 0.00 59.36 58.19 3fak h GLU 111 Cb 0.55 -0.26 -0.40 0.00 -0.84 0.00 0.00 28.75 27.81 3fak h GLU 111 CO 0.00 0.75 -0.75 -1.01 -1.40 0.00 0.00 179.01 176.60 3fak s HIS 112 N -6.06 1.81 1.03 4.33 3.76 0.33 -5.05 115.29 115.44 3fak s HIS 112 Ca -0.13 -2.32 -0.15 0.00 -0.15 0.00 0.00 55.06 52.31 3fak s HIS 112 Cb 0.19 -1.75 0.21 0.00 1.11 0.00 0.00 32.58 32.34 3fak s HIS 112 CO 0.81 -0.79 1.15 -1.25 -0.85 0.00 0.00 174.74 173.81 3fak s PRO 113 N 0.43 0.12 0.36 8.40 0.04 -1.25 -3.12 135.00 139.98 3fak s PRO 113 Ca 0.18 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.05 3fak s PRO 113 Cb -0.23 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 3fak s PRO 113 CO -0.00 -2.85 0.79 0.34 0.04 0.00 0.00 177.00 175.32 3fak n PHE 114 N -4.18 0.42 -0.84 0.56 7.35 0.12 -1.49 117.46 119.40 3fak n PHE 114 Ca 0.10 0.66 -0.20 0.00 -0.76 0.00 0.00 57.45 57.25 3fak n PHE 114 Cb 0.59 -2.12 0.14 0.00 0.35 0.00 0.00 39.48 38.44 3fak n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fak n PRO 115 N 0.58 2.05 -0.11 -7.13 -0.04 -1.26 -4.94 135.00 124.14 3fak n PRO 115 Ca 0.11 -2.46 -0.05 0.00 -0.04 0.00 0.00 63.50 61.06 3fak n PRO 115 Cb 0.36 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 31.87 3fak n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fak h ALA 116 N 1.24 0.31 -0.98 0.55 0.00 -1.52 -1.09 119.26 117.78 3fak h ALA 116 Ca 0.52 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.58 3fak h ALA 116 Cb 2.37 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 20.35 3fak h ALA 116 CO 0.94 -0.42 0.65 0.00 0.00 0.00 0.00 179.25 180.41 3fak h ALA 117 N 1.36 1.32 -0.35 0.00 0.00 -1.81 -1.55 119.26 118.24 3fak h ALA 117 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3fak h ALA 117 Cb 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fak h ALA 117 CO -0.36 0.61 -0.07 0.28 0.00 0.00 0.00 179.25 179.71 3fak h VAL 118 N 1.30 1.28 -0.68 0.00 2.07 -1.77 -1.00 116.25 117.45 3fak h VAL 118 Ca 0.37 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3fak h VAL 118 Cb -0.10 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3fak h VAL 118 CO -0.09 0.37 0.44 -0.33 0.02 0.00 0.00 177.57 177.97 3fak h GLU 119 N 0.46 0.84 -0.50 1.57 5.08 -0.82 -0.31 114.58 120.90 3fak h GLU 119 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3fak h GLU 119 Cb 0.57 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3fak h GLU 119 CO 0.03 0.55 0.18 -0.44 -1.00 0.00 0.00 179.01 178.34 3fak h ASP 120 N 0.86 0.71 -0.24 1.42 3.32 -1.08 -0.37 116.42 121.05 3fak h ASP 120 Ca 0.27 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fak h ASP 120 Cb -0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3fak h ASP 120 CO -0.09 0.71 0.16 1.23 -1.72 0.00 0.00 179.24 179.53 3fak h GLY 121 N 0.68 0.34 1.01 2.75 0.00 -0.69 0.30 103.07 107.46 3fak h GLY 121 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3fak h GLY 121 CO -0.01 0.13 0.31 -2.08 0.00 0.00 0.00 176.54 174.89 3fak h VAL 122 N 0.32 1.23 -0.52 4.60 2.07 -0.95 -1.41 116.25 121.60 3fak h VAL 122 Ca 0.09 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3fak h VAL 122 Cb -0.03 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3fak h VAL 122 CO -0.02 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.92 3fak h ALA 123 N 1.14 1.16 -0.55 1.67 0.00 -0.79 -0.08 119.26 121.81 3fak h ALA 123 Ca 0.23 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3fak h ALA 123 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fak h ALA 123 CO -0.03 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.70 3fak h ALA 124 N 1.30 0.76 -0.27 0.00 0.00 -0.54 0.12 119.26 120.63 3fak h ALA 124 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fak h ALA 124 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fak h ALA 124 CO 0.01 0.66 0.10 -0.92 0.00 0.00 0.00 179.25 179.10 3fak h TYR 125 N 0.92 0.42 -0.80 0.00 3.20 -0.90 -0.63 116.97 119.18 3fak h TYR 125 Ca 0.15 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.04 3fak h TYR 125 Cb 0.65 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 3fak h TYR 125 CO 0.05 0.43 0.49 0.00 -1.64 0.00 0.00 178.16 177.49 3fak h ARG 126 N 0.28 0.86 -0.60 1.82 3.08 -0.74 -1.57 114.38 117.51 3fak h ARG 126 Ca 0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3fak h ARG 126 Cb 0.20 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3fak h ARG 126 CO -0.01 0.57 0.35 2.35 -1.07 0.00 0.00 179.97 182.17 3fak h TRP 127 N 0.89 0.65 -0.50 3.04 7.01 -0.22 0.15 115.95 126.97 3fak h TRP 127 Ca 0.35 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 3fak h TRP 127 Cb 0.17 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3fak h TRP 127 CO -0.04 0.34 0.26 -0.07 -2.79 0.00 0.00 178.44 176.14 3fak h LEU 128 N 0.67 0.63 -0.69 0.65 3.38 -0.22 0.14 115.31 119.88 3fak h LEU 128 Ca 0.26 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3fak h LEU 128 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3fak h LEU 128 CO -0.14 0.55 0.23 -0.07 0.09 0.00 0.00 178.44 179.11 3fak h LEU 129 N 0.66 0.98 -1.30 1.67 3.38 -0.85 -2.22 115.31 117.64 3fak h LEU 129 Ca 0.17 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3fak h LEU 129 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fak h LEU 129 CO -0.03 0.92 -0.29 0.44 0.09 0.00 0.00 178.44 179.57 3fak h ASP 130 N 1.00 0.09 0.89 -0.43 3.45 -0.25 -1.74 116.42 119.43 3fak h ASP 130 Ca 0.22 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3fak h ASP 130 Cb 0.28 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3fak h ASP 130 CO -0.01 0.39 0.00 1.56 -1.57 0.00 0.00 179.24 179.61 3fak h GLN 131 N 0.09 0.00 0.00 3.56 1.08 -0.17 -3.46 115.11 116.20 3fak h GLN 131 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3fak h GLN 131 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3fak h GLN 131 CO 0.04 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 3fak n GLY 132 N -0.09 1.05 3.72 3.46 0.00 -0.65 -5.09 105.19 107.58 3fak n GLY 132 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fak n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fak s PHE 133 N -2.00 3.30 0.35 1.61 0.40 -0.90 -4.99 117.98 115.76 3fak s PHE 133 Ca 0.00 1.15 -0.25 0.00 -0.60 0.00 0.00 56.93 57.23 3fak s PHE 133 Cb 0.00 -3.58 -0.10 0.00 0.51 0.00 0.00 43.02 39.85 3fak s PHE 133 CO 0.00 -1.89 0.99 0.15 0.70 0.00 0.00 175.22 175.17 3fak s LYS 134 N 0.56 4.43 0.30 0.44 -0.14 -1.26 -4.35 119.74 119.71 3fak s LYS 134 Ca 0.60 1.41 0.03 0.00 -1.36 0.00 0.00 55.97 56.64 3fak s LYS 134 Cb -0.35 -2.70 0.62 0.00 -1.68 0.00 0.00 37.83 33.72 3fak s LYS 134 CO 0.33 0.12 1.84 -1.35 -0.76 0.00 0.00 175.35 175.52 3fak h PRO 135 N 2.91 0.89 0.00 -1.68 0.11 -1.94 0.68 132.00 132.97 3fak h PRO 135 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3fak h PRO 135 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fak h PRO 135 CO 0.64 0.59 0.00 0.00 -0.21 0.00 0.00 178.00 179.02 3fak n GLN 136 N -4.62 0.03 -0.21 1.05 0.00 -1.26 -1.81 117.38 110.56 3fak n GLN 136 Ca 0.19 0.24 0.07 0.00 0.00 0.00 0.00 57.00 57.50 3fak n GLN 136 Cb 0.40 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.32 3fak n GLN 136 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3fak n HIS 137 N -1.47 0.55 -4.27 2.61 8.25 0.22 -4.60 115.22 116.51 3fak n HIS 137 Ca 0.04 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.78 3fak n HIS 137 Cb 0.16 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.18 3fak n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fak s LEU 138 N -1.00 3.28 -0.02 2.41 1.43 -0.75 -2.37 118.68 121.66 3fak s LEU 138 Ca 0.28 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 3fak s LEU 138 Cb 0.15 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.59 3fak s LEU 138 CO 0.19 0.01 0.37 -0.55 0.23 0.00 0.00 176.35 176.60 3fak s SER 139 N -3.62 -0.27 -0.05 2.29 0.15 -0.91 -1.58 113.70 109.70 3fak s SER 139 Ca 0.31 0.19 0.05 0.00 0.70 0.00 0.00 55.95 57.20 3fak s SER 139 Cb -0.07 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3fak s SER 139 CO 0.20 -0.48 -0.19 -0.63 1.20 0.00 0.00 173.24 173.35 3fak s ILE 140 N -1.32 1.56 0.08 6.45 1.01 -0.96 -0.30 121.20 127.71 3fak s ILE 140 Ca -0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 3fak s ILE 140 Cb -0.04 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3fak s ILE 140 CO 0.05 0.44 0.17 -0.55 0.00 0.00 0.00 174.94 175.05 3fak s SER 141 N 0.03 0.15 -0.26 3.58 0.15 -0.33 -0.83 113.70 116.19 3fak s SER 141 Ca -0.05 -0.65 -0.38 0.00 0.70 0.00 0.00 55.95 55.58 3fak s SER 141 Cb -0.12 0.32 0.15 0.00 -1.71 0.00 0.00 66.02 64.66 3fak s SER 141 CO 0.03 -0.69 1.36 -0.83 1.20 0.00 0.00 173.24 174.31 3fak s GLY 142 N -2.74 -0.23 -0.01 9.45 0.00 -1.18 -0.17 107.32 112.42 3fak s GLY 142 Ca 0.04 1.80 0.07 0.00 0.00 0.00 0.00 44.72 46.62 3fak s GLY 142 CO -0.10 0.59 -0.22 0.51 0.00 0.00 0.00 173.10 173.88 3fak s ASP 143 N -2.11 3.43 1.76 1.64 -4.77 -1.06 -0.22 116.67 115.34 3fak s ASP 143 Ca 0.12 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.95 3fak s ASP 143 Cb -0.00 -0.50 0.00 0.00 -1.09 0.00 0.00 42.92 41.33 3fak s ASP 143 CO -0.03 0.31 0.00 -0.24 0.70 0.00 0.00 175.17 175.91 3fak n SER 144 N 2.18 0.00 -0.19 2.11 2.88 0.13 0.33 113.62 121.06 3fak n SER 144 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 3fak n SER 144 Cb 0.52 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.44 3fak n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fak h ALA 145 N -0.88 2.00 -0.20 -1.46 0.00 -1.85 0.42 119.26 117.29 3fak h ALA 145 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3fak h ALA 145 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fak h ALA 145 CO 0.00 -0.21 -0.18 0.78 0.00 0.00 0.00 179.25 179.64 3fak h GLY 146 N 0.51 0.37 1.09 0.00 0.00 -0.14 -1.30 103.07 103.60 3fak h GLY 146 Ca 0.38 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3fak h GLY 146 CO -0.14 0.24 -0.06 -1.33 0.00 0.00 0.00 176.54 175.25 3fak h GLY 147 N 0.91 1.15 1.01 4.60 0.00 -0.05 -1.15 103.07 109.55 3fak h GLY 147 Ca 0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.40 3fak h GLY 147 CO 0.03 0.82 -0.12 -1.33 0.00 0.00 0.00 176.54 175.94 3fak h GLY 148 N 0.95 0.91 1.32 4.60 0.00 -1.09 -2.81 103.07 106.95 3fak h GLY 148 Ca 0.16 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 46.79 3fak h GLY 148 CO 0.04 0.69 0.31 -2.00 0.00 0.00 0.00 176.54 175.59 3fak h LEU 149 N 0.67 0.32 -0.20 3.11 6.46 -0.97 0.14 115.31 124.83 3fak h LEU 149 Ca 0.11 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3fak h LEU 149 Cb 0.66 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 3fak h LEU 149 CO 0.05 0.21 0.07 0.58 -0.62 0.00 0.00 178.44 178.72 3fak h VAL 150 N 0.36 0.95 -0.44 1.05 2.07 -0.94 0.10 116.25 119.41 3fak h VAL 150 Ca 0.20 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.57 3fak h VAL 150 Cb 0.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fak h VAL 150 CO -0.05 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 177.39 3fak h LEU 151 N 0.16 0.85 -0.38 2.57 -0.00 -1.20 -2.19 115.31 115.13 3fak h LEU 151 Ca 0.09 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 3fak h LEU 151 Cb 0.05 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 3fak h LEU 151 CO -0.09 1.02 0.24 0.00 -0.00 0.00 0.00 178.44 179.61 3fak h ALA 152 N 0.86 0.48 -0.91 1.53 0.00 -0.82 -1.32 119.26 119.08 3fak h ALA 152 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fak h ALA 152 Cb 0.65 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3fak h ALA 152 CO 0.04 -0.04 0.60 0.28 0.00 0.00 0.00 179.25 180.14 3fak h VAL 153 N 0.50 1.22 -0.16 0.00 2.07 -0.71 -0.82 116.25 118.35 3fak h VAL 153 Ca 0.14 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3fak h VAL 153 Cb -0.02 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 3fak h VAL 153 CO -0.03 0.22 0.06 -0.07 0.02 0.00 0.00 177.57 177.77 3fak h LEU 154 N 1.22 0.22 -0.48 2.57 3.38 -0.93 0.18 115.31 121.46 3fak h LEU 154 Ca 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fak h LEU 154 Cb -0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fak h LEU 154 CO -0.08 0.34 0.25 0.58 0.09 0.00 0.00 178.44 179.62 3fak h VAL 155 N 0.08 1.18 -0.42 1.22 2.07 -1.05 0.36 116.25 119.69 3fak h VAL 155 Ca 0.05 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3fak h VAL 155 Cb 0.20 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3fak h VAL 155 CO -0.00 0.19 -0.01 -1.28 0.02 0.00 0.00 177.57 176.48 3fak h SER 156 N 0.64 0.74 -0.39 0.57 0.87 -1.06 -0.72 113.55 114.19 3fak h SER 156 Ca 0.17 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3fak h SER 156 Cb 0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3fak h SER 156 CO -0.02 0.88 0.24 0.00 -0.53 0.00 0.00 176.83 177.39 3fak h ALA 157 N 0.89 0.50 -0.10 6.23 0.00 -0.44 -1.60 119.26 124.74 3fak h ALA 157 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fak h ALA 157 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3fak h ALA 157 CO 0.02 -0.00 -0.05 -0.09 0.00 0.00 0.00 179.25 179.14 3fak h ARG 158 N 0.52 -0.04 -0.07 0.00 2.43 -0.77 -1.02 114.38 115.43 3fak h ARG 158 Ca 0.14 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3fak h ARG 158 Cb 0.01 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3fak h ARG 158 CO -0.03 -0.02 0.06 -0.44 -1.51 0.00 0.00 179.97 178.03 3fak h ASP 159 N -0.04 0.00 -0.27 -3.80 3.32 -0.83 -0.53 116.42 114.27 3fak h ASP 159 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fak h ASP 159 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fak h ASP 159 CO -0.12 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 3fak n GLN 160 N -4.21 1.87 -0.69 3.56 6.02 -0.63 -4.93 117.38 118.37 3fak n GLN 160 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 3fak n GLN 160 Cb 0.16 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3fak n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fak n GLY 161 N 1.17 0.62 3.81 1.08 0.00 -0.21 -5.06 105.19 106.60 3fak n GLY 161 Ca 0.16 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3fak n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fak s LEU 162 N 0.00 4.34 0.51 0.99 1.02 -0.48 -5.01 118.68 120.07 3fak s LEU 162 Ca 0.00 1.52 -0.21 0.00 0.02 0.00 0.00 54.13 55.46 3fak s LEU 162 Cb 0.00 -3.68 -0.06 0.00 0.02 0.00 0.00 46.19 42.46 3fak s LEU 162 CO 0.00 0.01 1.13 -2.16 0.02 0.00 0.00 176.35 175.35 3fak s PRO 163 N -1.99 3.50 0.38 1.29 0.04 -1.26 -4.35 135.00 132.62 3fak s PRO 163 Ca 0.45 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 3fak s PRO 163 Cb -0.17 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3fak s PRO 163 CO 0.22 -0.73 0.91 -1.64 0.04 0.00 0.00 177.00 175.80 3fak s MET 164 N -3.10 4.28 1.01 4.56 -1.94 -1.26 -4.96 119.30 117.89 3fak s MET 164 Ca 0.70 1.10 -0.16 0.00 -1.71 0.00 0.00 55.69 55.61 3fak s MET 164 Cb -0.25 -2.38 0.21 0.00 2.01 0.00 0.00 34.83 34.43 3fak s MET 164 CO 0.29 0.08 1.27 -1.25 -0.01 0.00 0.00 175.02 175.40 3fak s PRO 165 N -2.86 0.30 0.44 2.03 0.04 -1.26 -4.66 135.00 129.03 3fak s PRO 165 Ca 0.58 -0.31 0.24 0.00 0.04 0.00 0.00 61.00 61.54 3fak s PRO 165 Cb -0.12 -1.80 0.94 0.00 0.04 0.00 0.00 34.50 33.57 3fak s PRO 165 CO 0.16 -2.66 1.84 0.00 0.04 0.00 0.00 177.00 176.38 3fak h ALA 166 N -1.82 1.04 -2.61 8.56 0.00 -0.76 -3.42 119.26 120.24 3fak h ALA 166 Ca -0.45 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.35 3fak h ALA 166 Cb 1.25 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 3fak h ALA 166 CO 0.38 0.29 0.37 -1.54 0.00 0.00 0.00 179.25 178.75 3fak s SER 167 N -6.21 -0.31 -0.08 0.00 1.04 -1.24 -4.22 113.70 102.68 3fak s SER 167 Ca 0.00 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 3fak s SER 167 Cb 0.11 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3fak s SER 167 CO 0.64 -0.96 0.18 0.00 0.98 0.00 0.00 173.24 174.08 3fak s ALA 168 N -3.49 -0.41 -0.47 5.32 0.00 -0.85 -2.26 121.76 119.61 3fak s ALA 168 Ca 0.08 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3fak s ALA 168 Cb -0.02 -0.45 0.14 0.00 0.00 0.00 0.00 23.12 22.79 3fak s ALA 168 CO -0.02 -0.14 0.26 0.42 0.00 0.00 0.00 175.76 176.28 3fak s ILE 169 N 0.81 1.62 0.02 0.00 1.09 -0.01 -1.99 121.20 122.74 3fak s ILE 169 Ca -0.06 -2.79 -0.30 0.00 -1.10 0.00 0.00 60.65 56.40 3fak s ILE 169 Cb -0.08 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 3fak s ILE 169 CO -0.04 -0.90 0.99 -2.16 -0.10 0.00 0.00 174.94 172.72 3fak s PRO 170 N 0.12 4.57 -0.25 2.79 0.04 -1.12 -3.13 135.00 138.02 3fak s PRO 170 Ca 0.19 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 3fak s PRO 170 Cb -0.22 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 3fak s PRO 170 CO -0.02 -0.03 0.07 0.42 0.04 0.00 0.00 177.00 177.47 3fak s ILE 171 N 0.90 4.25 -1.48 0.56 1.01 0.70 -2.22 121.20 124.92 3fak s ILE 171 Ca 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 3fak s ILE 171 Cb -0.22 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3fak s ILE 171 CO 0.28 0.32 0.32 -1.20 0.00 0.00 0.00 174.94 174.67 3fak n SER 172 N 4.92 -0.17 -4.73 3.58 7.64 0.54 0.19 113.62 125.58 3fak n SER 172 Ca -0.16 -1.09 -0.42 0.00 1.01 0.00 0.00 58.87 58.21 3fak n SER 172 Cb 0.51 -2.59 -0.01 0.00 -1.01 0.00 0.00 64.21 61.12 3fak n SER 172 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3fak n PRO 173 N -4.45 2.39 -3.58 1.43 -0.04 -1.26 -2.73 135.00 126.77 3fak n PRO 173 Ca -0.28 0.84 -0.40 0.00 -0.04 0.00 0.00 63.50 63.62 3fak n PRO 173 Cb 0.67 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 3fak n PRO 173 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3fak s TRP 174 N -0.93 3.52 -0.18 0.54 -0.00 -0.61 -4.58 118.94 116.70 3fak s TRP 174 Ca 0.56 -2.35 0.17 0.00 -0.00 0.00 0.00 56.10 54.48 3fak s TRP 174 Cb -0.53 -3.43 0.50 0.00 -0.00 0.00 0.00 33.47 30.01 3fak s TRP 174 CO 0.61 -0.91 1.40 0.00 -0.00 0.00 0.00 176.95 178.04 3fak n ALA 175 N 3.90 2.96 -3.45 5.86 0.00 -1.26 -3.93 120.51 124.61 3fak n ALA 175 Ca 0.06 -2.38 -0.22 0.00 0.00 0.00 0.00 53.44 50.90 3fak n ALA 175 Cb 0.41 -0.68 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 3fak n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fak s ASP 176 N -2.06 2.37 0.49 0.00 -1.08 -1.26 -1.96 116.67 113.17 3fak s ASP 176 Ca 0.41 -1.19 0.33 0.00 -0.52 0.00 0.00 52.55 51.59 3fak s ASP 176 Cb 0.34 0.14 1.64 0.00 -1.46 0.00 0.00 42.92 43.57 3fak s ASP 176 CO 0.08 -0.38 2.01 0.24 0.52 0.00 0.00 175.17 177.63 3fak h MET 177 N 8.03 0.00 0.00 4.34 2.86 -1.80 -2.80 114.93 125.56 3fak h MET 177 Ca -0.11 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3fak h MET 177 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3fak h MET 177 CO 0.35 0.00 -0.37 1.79 1.06 0.00 0.00 176.91 179.73 3fak h THR 178 N 0.00 1.04 -6.23 2.22 1.35 -1.96 -3.48 112.91 105.86 3fak h THR 178 Ca 0.00 -1.38 -0.45 0.00 -0.55 0.00 0.00 66.41 64.03 3fak h THR 178 Cb 0.20 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3fak h THR 178 CO 0.00 0.36 -0.82 0.00 -0.25 0.00 0.00 175.52 174.81 3fak n THR 180 N -4.40 0.00 -1.60 0.00 -2.24 -1.26 -5.00 114.28 99.78 3fak n THR 180 Ca -0.21 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 3fak n THR 180 Cb 0.64 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 70.03 3fak n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fak n ASN 181 N -0.45 0.78 -0.30 3.42 5.03 -1.26 -4.90 115.26 117.58 3fak n ASN 181 Ca 0.04 0.78 0.03 0.00 0.87 0.00 0.00 54.58 56.30 3fak n ASN 181 Cb 0.22 -1.40 0.23 0.00 -1.02 0.00 0.00 39.78 37.80 3fak n ASN 181 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3fak h ASP 182 N 0.35 0.93 -0.13 6.41 3.45 -1.96 -2.80 116.42 122.67 3fak h ASP 182 Ca -0.49 -0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.01 3fak h ASP 182 Cb 1.36 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 3fak h ASP 182 CO 0.50 0.61 0.37 0.77 -1.57 0.00 0.00 179.24 179.92 3fak h SER 183 N 1.06 0.00 0.52 6.45 4.64 -1.91 0.62 113.55 124.92 3fak h SER 183 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3fak h SER 183 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3fak h SER 183 CO -0.13 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.32 3fak n PHE 184 N -3.18 0.81 -0.05 4.77 3.01 -1.06 -0.90 117.46 120.86 3fak n PHE 184 Ca 0.01 0.35 -0.12 0.00 1.01 0.00 0.00 57.45 58.70 3fak n PHE 184 Cb 0.46 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 38.83 3fak n PHE 184 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fak n LYS 185 N -2.27 0.26 0.26 -1.08 5.02 0.20 -4.20 118.16 116.35 3fak n LYS 185 Ca 0.01 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 3fak n LYS 185 Cb 0.17 -0.95 0.68 0.00 -0.02 0.00 0.00 35.03 34.91 3fak n LYS 185 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fak h THR 186 N -0.46 0.58 -0.11 -0.18 1.03 -1.18 -3.07 112.91 109.51 3fak h THR 186 Ca -0.25 -0.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.51 3fak h THR 186 Cb 1.10 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 3fak h THR 186 CO -0.15 0.14 0.00 0.54 -0.01 0.00 0.00 175.52 176.04 3fak n ARG 187 N -3.61 1.25 -0.09 0.00 5.12 -0.08 -4.73 116.66 114.51 3fak n ARG 187 Ca -0.01 -1.36 -0.09 0.00 -1.93 0.00 0.00 57.85 54.46 3fak n ARG 187 Cb 0.27 -1.17 -0.01 0.00 -1.16 0.00 0.00 32.46 30.38 3fak n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fak h ALA 188 N 1.57 0.41 0.00 7.54 0.00 -1.57 -2.43 119.26 124.78 3fak h ALA 188 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3fak h ALA 188 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fak h ALA 188 CO 0.00 -0.13 -0.17 1.49 0.00 0.00 0.00 179.25 180.45 3fak h GLU 189 N 0.44 0.00 -0.01 0.00 4.81 -1.85 -2.61 114.58 115.36 3fak h GLU 189 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3fak h GLU 189 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3fak h GLU 189 CO -0.03 0.17 -0.44 0.00 -0.73 0.00 0.00 179.01 177.98 3fak n ALA 190 N -2.47 3.47 -2.63 2.92 0.00 -1.11 -4.79 120.51 115.90 3fak n ALA 190 Ca -0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 3fak n ALA 190 Cb 0.24 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3fak n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fak s ASP 191 N -2.72 6.28 0.00 0.00 -1.08 -0.93 -4.78 116.67 113.44 3fak s ASP 191 Ca 0.17 -0.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.89 3fak s ASP 191 Cb 0.18 -2.32 1.40 0.00 -1.46 0.00 0.00 42.92 40.72 3fak s ASP 191 CO 0.62 -0.89 1.90 -0.81 0.52 0.00 0.00 175.17 176.52 3fak n PRO 192 N 6.39 0.51 -3.12 4.34 -0.04 -1.26 -4.79 135.00 137.03 3fak n PRO 192 Ca -0.03 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 3fak n PRO 192 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3fak n PRO 192 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3fak s MET 193 N -2.40 3.52 0.14 0.54 -1.94 -1.26 -4.54 119.30 113.37 3fak s MET 193 Ca 0.29 -0.11 -0.02 0.00 -1.71 0.00 0.00 55.69 54.14 3fak s MET 193 Cb 0.18 -2.56 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 3fak s MET 193 CO 0.37 0.04 0.33 0.14 -0.01 0.00 0.00 175.02 175.89 3fak s VAL 194 N -2.43 5.25 0.12 -6.03 -7.23 -1.26 -4.75 120.40 104.06 3fak s VAL 194 Ca 0.43 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.33 3fak s VAL 194 Cb -0.10 -3.67 -0.21 0.00 0.56 0.00 0.00 36.38 32.96 3fak s VAL 194 CO 0.38 -0.02 1.27 0.00 -0.31 0.00 0.00 175.10 176.42 3fak h ALA 195 N 2.53 0.33 -2.45 1.32 0.00 -1.95 -3.45 119.26 115.59 3fak h ALA 195 Ca -0.47 -0.82 -0.10 0.00 0.00 0.00 0.00 54.91 53.53 3fak h ALA 195 Cb 1.18 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 3fak h ALA 195 CO 0.71 1.00 -0.11 -1.25 0.00 0.00 0.00 179.25 179.60 3fak s PRO 196 N -2.91 0.67 0.00 0.00 0.04 -1.26 -4.98 135.00 126.56 3fak s PRO 196 Ca -0.03 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3fak s PRO 196 Cb 0.09 0.32 0.00 0.00 0.04 0.00 0.00 34.50 34.95 3fak s PRO 196 CO 0.85 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 178.17 3fak n GLY 197 N 2.22 0.42 0.18 0.56 0.00 -1.26 -4.49 105.19 102.82 3fak n GLY 197 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3fak n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fak h GLY 198 N 0.00 0.15 1.91 -0.02 0.00 -1.94 -2.71 103.07 100.46 3fak h GLY 198 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 3fak h GLY 198 CO 0.00 0.13 -0.81 1.19 0.00 0.00 0.00 176.54 177.05 3fak h ILE 199 N 0.11 1.53 -0.09 2.60 2.10 -1.88 -2.91 117.51 118.98 3fak h ILE 199 Ca 0.01 -2.64 -0.08 0.00 1.08 0.00 0.00 64.86 63.23 3fak h ILE 199 Cb 0.84 2.44 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 3fak h ILE 199 CO 0.06 0.76 -0.31 0.78 -1.08 0.00 0.00 178.15 178.37 3fak h ASN 200 N 0.05 0.17 -0.60 2.19 2.35 -1.79 -2.02 115.58 115.92 3fak h ASN 200 Ca -0.02 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3fak h ASN 200 Cb 1.42 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 3fak h ASN 200 CO 0.11 0.48 0.13 0.50 -1.65 0.00 0.00 177.43 177.00 3fak h LYS 201 N 0.15 0.97 -0.43 0.81 1.63 -1.31 -0.75 116.57 117.65 3fak h LYS 201 Ca 0.02 -0.24 -0.07 0.00 -0.85 0.00 0.00 60.65 59.50 3fak h LYS 201 Cb 0.63 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3fak h LYS 201 CO 0.05 0.90 -0.02 0.52 -3.45 0.00 0.00 179.45 177.45 3fak h MET 202 N 0.88 0.77 -0.51 1.90 2.86 -1.31 -0.75 114.93 118.78 3fak h MET 202 Ca 0.19 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fak h MET 202 Cb 0.38 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3fak h MET 202 CO 0.01 0.85 0.28 0.00 1.06 0.00 0.00 176.91 179.11 3fak h ALA 203 N 0.89 0.65 -0.19 6.32 0.00 -1.14 0.16 119.26 125.96 3fak h ALA 203 Ca 0.12 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3fak h ALA 203 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fak h ALA 203 CO 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.28 3fak h ALA 204 N 1.25 0.19 -0.89 0.00 0.00 -0.90 0.53 119.26 119.45 3fak h ALA 204 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fak h ALA 204 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3fak h ALA 204 CO -0.12 -0.39 0.48 0.00 0.00 0.00 0.00 179.25 179.22 3fak h ARG 205 N 0.13 1.24 0.12 0.00 3.08 -0.46 -0.40 114.38 118.09 3fak h ARG 205 Ca 0.08 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fak h ARG 205 Cb 0.07 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3fak h ARG 205 CO -0.10 0.91 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.73 3fak h TYR 206 N 1.24 -0.15 -0.52 3.04 3.20 -0.31 -3.33 116.97 120.14 3fak h TYR 206 Ca 0.31 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3fak h TYR 206 Cb 0.03 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3fak h TYR 206 CO 0.01 0.32 0.21 -0.07 -1.64 0.00 0.00 178.16 176.99 3fak h LEU 207 N -0.74 0.70 -1.62 2.82 3.38 -0.90 0.34 115.31 119.29 3fak h LEU 207 Ca -0.02 -0.16 -0.48 0.00 0.09 0.00 0.00 57.88 57.31 3fak h LEU 207 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3fak h LEU 207 CO 0.03 0.67 -0.84 -3.20 0.09 0.00 0.00 178.44 175.19 3fak n ASN 208 N -4.55 -1.65 0.00 -0.43 5.15 -0.16 -1.91 115.26 111.71 3fak n ASN 208 Ca 0.02 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3fak n ASN 208 Cb 0.15 -3.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.93 3fak n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fak n GLY 209 N -1.74 0.37 3.81 8.20 0.00 -1.26 -5.07 105.19 109.49 3fak n GLY 209 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3fak n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fak s ALA 210 N -2.13 2.67 0.03 4.61 0.00 -0.80 -4.95 121.76 121.19 3fak s ALA 210 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 3fak s ALA 210 Cb 0.00 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3fak s ALA 210 CO 0.00 -1.13 1.86 0.34 0.00 0.00 0.00 175.76 176.83 3fak s ASP 211 N -3.48 6.50 0.05 0.00 -1.08 -1.26 -4.84 116.67 112.56 3fak s ASP 211 Ca 0.60 2.57 0.11 0.00 -0.52 0.00 0.00 52.55 55.31 3fak s ASP 211 Cb -0.15 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 3fak s ASP 211 CO 0.50 -1.01 1.34 0.00 0.52 0.00 0.00 175.17 176.52 3fak n ALA 212 N 7.14 1.39 -0.55 3.66 0.00 -1.26 -1.27 120.51 129.63 3fak n ALA 212 Ca 0.19 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.71 3fak n ALA 212 Cb 0.41 -1.18 0.29 0.00 0.00 0.00 0.00 19.45 18.97 3fak n ALA 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fak n LYS 213 N -1.63 3.29 -1.89 0.00 5.02 -1.26 -4.13 118.16 117.56 3fak n LYS 213 Ca 0.02 -2.65 -0.42 0.00 -2.02 0.00 0.00 58.31 53.24 3fak n LYS 213 Cb 0.11 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 3fak n LYS 213 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3fak s HIS 214 N -1.70 2.95 0.38 2.13 2.46 -0.40 -4.80 115.29 116.31 3fak s HIS 214 Ca 0.42 0.72 0.12 0.00 0.47 0.00 0.00 55.06 56.80 3fak s HIS 214 Cb 0.27 -3.97 0.91 0.00 -0.13 0.00 0.00 32.58 29.67 3fak s HIS 214 CO 0.21 -3.40 1.88 -1.35 -2.47 0.00 0.00 174.74 169.61 3fak h PRO 215 N 5.87 0.57 0.00 2.88 0.11 -1.88 0.23 132.00 139.78 3fak h PRO 215 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fak h PRO 215 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fak h PRO 215 CO 0.86 0.38 -0.10 0.66 -0.21 0.00 0.00 178.00 179.59 3fak n TYR 216 N -4.54 0.74 -0.11 0.65 0.53 -1.26 -2.58 117.16 110.59 3fak n TYR 216 Ca 0.17 0.21 -0.13 0.00 -1.02 0.00 0.00 57.90 57.13 3fak n TYR 216 Cb 0.51 -0.83 -0.14 0.00 -1.03 0.00 0.00 39.34 37.85 3fak n TYR 216 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3fak n ALA 217 N -1.75 1.47 -3.55 -0.72 0.00 -0.58 -4.71 120.51 110.66 3fak n ALA 217 Ca 0.05 -1.23 -0.28 0.00 0.00 0.00 0.00 53.44 51.99 3fak n ALA 217 Cb 0.42 -0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3fak n ALA 217 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fak s SER 218 N -5.91 2.62 0.66 0.00 0.01 0.70 -4.53 113.70 107.25 3fak s SER 218 Ca -0.19 -3.11 0.31 0.00 1.31 0.00 0.00 55.95 54.27 3fak s SER 218 Cb 0.07 -0.78 1.67 0.00 0.21 0.00 0.00 66.02 67.19 3fak s SER 218 CO 0.74 -0.18 1.94 -0.65 0.41 0.00 0.00 173.24 175.51 3fak h PRO 219 N 5.85 0.00 0.00 12.44 0.11 -1.38 -0.30 132.00 148.72 3fak h PRO 219 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3fak h PRO 219 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3fak h PRO 219 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 3fak n ASN 220 N -2.88 0.62 -0.78 -2.05 4.13 -0.83 -1.16 115.26 112.31 3fak n ASN 220 Ca -0.02 0.70 0.09 0.00 1.68 0.00 0.00 54.58 57.04 3fak n ASN 220 Cb 0.36 -0.81 0.09 0.00 -1.54 0.00 0.00 39.78 37.87 3fak n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3fak n PHE 221 N -2.23 0.05 -2.51 3.10 3.01 -0.12 -4.96 117.46 113.79 3fak n PHE 221 Ca 0.01 -0.03 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 3fak n PHE 221 Cb 0.15 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.66 3fak n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fak s ALA 222 N -1.54 3.47 -0.37 4.37 0.00 -0.31 -4.82 121.76 122.56 3fak s ALA 222 Ca 0.23 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 3fak s ALA 222 Cb 0.16 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.88 3fak s ALA 222 CO 0.24 -0.83 0.80 1.21 0.00 0.00 0.00 175.76 177.18 3fak s ASN 223 N -4.36 6.55 0.00 0.00 3.04 -1.26 -4.92 114.94 113.99 3fak s ASN 223 Ca 0.55 0.34 0.22 0.00 0.04 0.00 0.00 52.86 54.01 3fak s ASN 223 Cb -0.10 -2.40 0.52 0.00 -1.54 0.00 0.00 41.25 37.72 3fak s ASN 223 CO 0.42 -0.76 1.45 0.18 -3.04 0.00 0.00 177.10 175.35 3fak n LEU 224 N 6.49 3.16 -4.66 3.21 4.77 -1.26 -4.95 117.00 123.75 3fak n LEU 224 Ca 0.03 -1.44 -0.47 0.00 -0.03 0.00 0.00 56.01 54.10 3fak n LEU 224 Cb 0.48 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3fak n LEU 224 CO 0.55 0.72 1.21 0.29 -1.33 0.00 0.00 177.39 178.83 3fak n LYS 225 N 1.26 2.00 -0.07 3.23 5.02 -1.26 -2.08 118.16 126.26 3fak n LYS 225 Ca 0.19 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 3fak n LYS 225 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 3fak n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fak n GLY 226 N 3.49 0.69 3.77 0.72 0.00 -1.26 -5.06 105.19 107.53 3fak n GLY 226 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fak n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fak s LEU 227 N 0.00 3.44 0.99 0.99 1.43 -0.88 -4.92 118.68 119.73 3fak s LEU 227 Ca 0.00 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 55.00 3fak s LEU 227 Cb 0.00 -4.56 0.19 0.00 0.03 0.00 0.00 46.19 41.85 3fak s LEU 227 CO 0.00 -1.60 1.15 -2.16 0.23 0.00 0.00 176.35 173.97 3fak s PRO 228 N -3.97 0.45 0.23 1.29 0.04 -1.26 -4.67 135.00 127.11 3fak s PRO 228 Ca 0.68 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.57 3fak s PRO 228 Cb -0.21 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 3fak s PRO 228 CO 0.40 -2.64 1.36 -2.30 0.04 0.00 0.00 177.00 173.86 3fak n PRO 229 N -4.05 1.86 -4.71 0.56 -0.02 -1.26 -4.64 135.00 122.74 3fak n PRO 229 Ca 0.09 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 3fak n PRO 229 Cb 0.59 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3fak n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fak s LEU 230 N 0.20 2.86 -0.18 2.45 1.02 0.95 -2.00 118.68 123.97 3fak s LEU 230 Ca 0.69 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.63 3fak s LEU 230 Cb -0.69 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 43.93 3fak s LEU 230 CO 0.50 0.31 -0.14 -0.22 0.02 0.00 0.00 176.35 176.82 3fak s LEU 231 N -1.06 2.12 -0.20 1.79 0.20 -0.84 -0.58 118.68 120.11 3fak s LEU 231 Ca 0.14 -0.73 -0.03 0.00 0.69 0.00 0.00 54.13 54.20 3fak s LEU 231 Cb -0.11 -1.30 -0.00 0.00 -0.43 0.00 0.00 46.19 44.35 3fak s LEU 231 CO 0.03 -0.08 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.30 3fak s ILE 232 N 1.38 3.13 -0.09 6.68 1.01 0.58 -2.78 121.20 131.11 3fak s ILE 232 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 3fak s ILE 232 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3fak s ILE 232 CO -0.10 0.45 0.04 -1.00 0.00 0.00 0.00 174.94 174.34 3fak s HIS 233 N 1.32 3.28 -0.17 3.97 3.76 -0.94 0.03 115.29 126.54 3fak s HIS 233 Ca 0.04 0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.95 3fak s HIS 233 Cb -0.14 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.81 3fak s HIS 233 CO -0.04 0.55 0.78 0.54 -0.85 0.00 0.00 174.74 175.72 3fak s VAL 234 N -0.93 0.00 0.14 -0.90 0.11 -0.97 -0.34 120.40 117.50 3fak s VAL 234 Ca 0.14 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.05 3fak s VAL 234 Cb -0.12 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 3fak s VAL 234 CO 0.03 0.00 0.55 -0.83 -3.33 0.00 0.00 175.10 171.52 3fak s GLY 235 N -0.44 2.47 0.38 6.54 0.00 -1.26 -0.95 107.32 114.06 3fak s GLY 235 Ca -0.04 -0.13 0.14 0.00 0.00 0.00 0.00 44.72 44.69 3fak s GLY 235 CO 0.04 0.16 1.85 -0.09 0.00 0.00 0.00 173.10 175.05 3fak h ARG 236 N 3.61 0.00 -2.04 2.90 2.43 -1.32 -3.20 114.38 116.76 3fak h ARG 236 Ca -0.49 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.10 3fak h ARG 236 Cb 1.19 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.55 3fak h ARG 236 CO 0.66 0.35 0.68 -0.25 -1.51 0.00 0.00 179.97 179.89 3fak n ASP 237 N -4.05 6.83 -3.86 -3.80 8.00 -0.72 -4.91 116.55 114.04 3fak n ASP 237 Ca -0.02 -3.36 -0.11 0.00 0.71 0.00 0.00 54.79 52.00 3fak n ASP 237 Cb 0.39 -1.20 -0.10 0.00 -0.02 0.00 0.00 41.12 40.19 3fak n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3fak s GLU 238 N -2.30 0.47 0.56 -1.24 -1.05 -1.21 -3.90 118.70 110.02 3fak s GLU 238 Ca 0.57 -0.34 0.28 0.00 -0.15 0.00 0.00 54.97 55.33 3fak s GLU 238 Cb 0.38 0.20 1.64 0.00 -0.44 0.00 0.00 34.13 35.91 3fak s GLU 238 CO -0.26 -0.11 2.17 -0.24 0.95 0.00 0.00 175.26 177.77 3fak h VAL 239 N 4.30 0.56 -0.39 1.83 3.04 -1.77 -2.18 116.25 121.64 3fak h VAL 239 Ca -0.30 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3fak h VAL 239 Cb 1.19 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3fak h VAL 239 CO 0.40 0.06 0.00 0.18 -1.01 0.00 0.00 177.57 177.20 3fak n LEU 240 N -3.77 3.57 0.08 3.16 4.77 -1.26 -3.54 117.00 120.01 3fak n LEU 240 Ca -0.02 -1.80 -0.14 0.00 -0.03 0.00 0.00 56.01 54.02 3fak n LEU 240 Cb 0.15 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 3fak n LEU 240 CO 0.29 0.52 0.60 0.25 -1.33 0.00 0.00 177.39 177.71 3fak h LEU 241 N 2.55 -1.21 -1.86 2.23 6.46 -1.66 -2.21 115.31 119.61 3fak h LEU 241 Ca 0.00 0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.99 3fak h LEU 241 Cb 1.21 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 3fak h LEU 241 CO 0.23 -0.46 0.28 0.44 -0.62 0.00 0.00 178.44 178.31 3fak h ASP 242 N -0.59 0.14 -0.83 1.25 3.32 -1.85 -1.62 116.42 116.24 3fak h ASP 242 Ca 0.04 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3fak h ASP 242 Cb 0.65 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 3fak h ASP 242 CO -0.28 0.09 0.54 0.44 -1.72 0.00 0.00 179.24 178.31 3fak h ASP 243 N 0.16 0.91 -0.17 6.45 3.45 -1.70 -0.48 116.42 125.05 3fak h ASP 243 Ca 0.19 -0.01 -0.22 0.00 0.43 0.00 0.00 57.03 57.42 3fak h ASP 243 Cb 0.53 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 39.09 3fak h ASP 243 CO -0.03 0.64 -0.73 0.28 -1.57 0.00 0.00 179.24 177.84 3fak h SER 244 N 1.07 0.94 -0.50 6.45 0.02 -1.25 -1.60 113.55 118.69 3fak h SER 244 Ca 0.32 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3fak h SER 244 Cb -0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3fak h SER 244 CO -0.09 1.39 0.12 0.40 -1.14 0.00 0.00 176.83 177.50 3fak h ILE 245 N 0.56 1.24 -0.07 3.27 2.04 -1.16 -1.44 117.51 121.97 3fak h ILE 245 Ca -0.04 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 3fak h ILE 245 Cb 1.35 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3fak h ILE 245 CO 0.15 0.31 -0.57 0.11 0.00 0.00 0.00 178.15 178.15 3fak h LYS 246 N 0.70 0.20 -0.37 2.37 1.57 -1.14 -2.18 116.57 117.73 3fak h LYS 246 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fak h LYS 246 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3fak h LYS 246 CO 0.00 0.72 0.14 1.25 -0.57 0.00 0.00 179.45 180.99 3fak h LEU 247 N 0.15 0.51 -0.73 2.94 5.85 -1.06 -0.32 115.31 122.66 3fak h LEU 247 Ca -0.00 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3fak h LEU 247 Cb 1.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3fak h LEU 247 CO 0.09 0.55 0.48 -0.78 -0.34 0.00 0.00 178.44 178.43 3fak h ASP 248 N 0.44 0.83 -0.29 1.25 3.58 -1.10 -0.12 116.42 121.01 3fak h ASP 248 Ca 0.12 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3fak h ASP 248 Cb 0.20 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3fak h ASP 248 CO -0.01 0.60 0.05 0.00 -2.88 0.00 0.00 179.24 177.00 3fak h ALA 249 N 1.27 0.38 -0.33 -0.78 0.00 -1.15 -2.00 119.26 116.66 3fak h ALA 249 Ca 0.27 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fak h ALA 249 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3fak h ALA 249 CO -0.06 0.07 0.13 -0.22 0.00 0.00 0.00 179.25 179.18 3fak h LYS 250 N 0.30 0.28 0.48 0.00 1.63 -0.71 -1.17 116.57 117.37 3fak h LYS 250 Ca 0.09 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3fak h LYS 250 Cb 0.34 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3fak h LYS 250 CO 0.01 0.18 -0.32 0.00 -3.45 0.00 0.00 179.45 175.87 3fak h ALA 251 N 1.20 -0.77 -0.87 5.00 0.00 -0.90 -0.11 119.26 122.81 3fak h ALA 251 Ca 0.14 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fak h ALA 251 Cb 0.10 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3fak h ALA 251 CO -0.13 -0.95 0.54 0.87 0.00 0.00 0.00 179.25 179.58 3fak h LYS 252 N -0.76 0.96 -0.95 0.00 1.57 -1.28 0.24 116.57 116.34 3fak h LYS 252 Ca -0.05 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3fak h LYS 252 Cb 0.63 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3fak h LYS 252 CO 0.04 0.64 0.63 0.00 -0.57 0.00 0.00 179.45 180.18 3fak h ALA 253 N 1.41 1.22 -0.09 3.86 0.00 -0.96 -0.76 119.26 123.94 3fak h ALA 253 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fak h ALA 253 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3fak h ALA 253 CO -0.17 0.57 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 3fak n ASP 254 N -4.44 0.60 0.00 0.00 8.00 -0.07 -4.87 116.55 115.77 3fak n ASP 254 Ca 0.11 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.60 3fak n ASP 254 Cb 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3fak n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fak n GLY 255 N 0.60 0.50 3.77 0.44 0.00 -0.29 -4.08 105.19 106.14 3fak n GLY 255 Ca 0.03 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3fak n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fak s VAL 256 N -2.00 4.61 -0.67 1.61 1.01 0.68 -4.88 120.40 120.76 3fak s VAL 256 Ca 0.00 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 3fak s VAL 256 Cb 0.00 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3fak s VAL 256 CO 0.00 0.48 1.65 -0.75 0.00 0.00 0.00 175.10 176.47 3fak s LYS 257 N -0.73 2.84 -0.02 2.72 2.47 -1.26 -3.68 119.74 122.08 3fak s LYS 257 Ca 0.34 0.25 0.05 0.00 -1.56 0.00 0.00 55.97 55.05 3fak s LYS 257 Cb -0.21 -4.35 -0.03 0.00 -1.46 0.00 0.00 37.83 31.79 3fak s LYS 257 CO 0.23 -2.53 -0.18 0.45 0.16 0.00 0.00 175.35 173.48 3fak s SER 258 N 6.47 3.77 -0.24 1.43 0.15 -1.26 -0.04 113.70 123.97 3fak s SER 258 Ca 0.55 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 3fak s SER 258 Cb -0.11 -0.69 0.07 0.00 -1.71 0.00 0.00 66.02 63.59 3fak s SER 258 CO 0.17 0.32 0.03 -0.89 1.20 0.00 0.00 173.24 174.07 3fak s THR 259 N -0.75 0.99 -0.13 6.45 2.01 0.26 -4.95 115.64 119.52 3fak s THR 259 Ca 0.12 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 3fak s THR 259 Cb -0.10 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3fak s THR 259 CO 0.01 -0.33 0.26 -0.22 -0.69 0.00 0.00 174.62 173.66 3fak s LEU 260 N 1.62 4.31 -0.22 4.42 0.20 -1.26 -0.31 118.68 127.44 3fak s LEU 260 Ca 0.01 0.55 -0.00 0.00 0.69 0.00 0.00 54.13 55.37 3fak s LEU 260 Cb -0.18 -2.31 0.06 0.00 -0.43 0.00 0.00 46.19 43.33 3fak s LEU 260 CO -0.12 0.22 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.51 3fak s GLU 261 N -0.15 1.41 -0.47 1.98 2.02 0.11 -4.94 118.70 118.66 3fak s GLU 261 Ca 0.16 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 54.16 3fak s GLU 261 Cb -0.13 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.73 3fak s GLU 261 CO 0.05 -0.58 0.54 0.42 0.02 0.00 0.00 175.26 175.70 3fak s ILE 262 N 1.52 4.98 -0.31 -1.63 1.01 -1.26 -2.30 121.20 123.21 3fak s ILE 262 Ca -0.04 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 3fak s ILE 262 Cb -0.18 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.11 3fak s ILE 262 CO -0.07 -0.63 0.90 0.26 0.00 0.00 0.00 174.94 175.40 3fak s TRP 263 N 2.37 3.18 0.37 3.97 0.52 -0.13 -4.79 118.94 124.43 3fak s TRP 263 Ca 0.14 0.95 -0.28 0.00 0.02 0.00 0.00 56.10 56.93 3fak s TRP 263 Cb -0.19 -3.42 -0.11 0.00 -1.15 0.00 0.00 33.47 28.60 3fak s TRP 263 CO 0.13 -0.66 1.41 -0.25 0.02 0.00 0.00 176.95 177.60 3fak n ASP 264 N 6.48 3.37 0.00 2.95 10.43 -1.26 -1.59 116.55 136.93 3fak n ASP 264 Ca 0.07 1.21 0.00 0.00 2.57 0.00 0.00 54.79 58.64 3fak n ASP 264 Cb 0.48 -1.57 0.00 0.00 1.84 0.00 0.00 41.12 41.87 3fak n ASP 264 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3fak n ASP 265 N 0.50 -1.60 -4.87 -2.24 9.92 -1.26 -4.87 116.55 112.14 3fak n ASP 265 Ca 0.03 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.98 3fak n ASP 265 Cb 0.38 -2.30 -0.03 0.00 -0.64 0.00 0.00 41.12 38.52 3fak n ASP 265 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3fak s MET 266 N -1.05 3.80 0.47 -1.24 -1.94 -1.01 -4.81 119.30 113.52 3fak s MET 266 Ca 0.00 0.48 0.06 0.00 -1.71 0.00 0.00 55.69 54.52 3fak s MET 266 Cb 0.00 -2.40 -0.00 0.00 2.01 0.00 0.00 34.83 34.44 3fak s MET 266 CO 0.00 -0.01 0.33 0.96 -0.01 0.00 0.00 175.02 176.28 3fak s ILE 267 N -2.33 2.09 -0.36 2.53 -4.36 -1.26 -1.76 121.20 115.74 3fak s ILE 267 Ca 0.51 -1.52 -0.43 0.00 -0.26 0.00 0.00 60.65 58.96 3fak s ILE 267 Cb -0.10 -2.61 -0.17 0.00 1.25 0.00 0.00 42.46 40.83 3fak s ILE 267 CO 0.30 0.00 1.72 1.57 0.24 0.00 0.00 174.94 178.77 3fak n HIS 268 N -1.55 1.93 -4.03 1.37 -0.00 -1.26 -1.29 115.22 110.38 3fak n HIS 268 Ca -0.01 0.75 -0.32 0.00 -0.00 0.00 0.00 57.72 58.14 3fak n HIS 268 Cb 0.64 -2.38 -0.02 0.00 -0.00 0.00 0.00 29.99 28.22 3fak n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3fak n VAL 269 N 4.51 -2.91 0.26 3.57 0.31 -1.26 -4.77 118.33 118.04 3fak n VAL 269 Ca 0.29 -0.59 0.18 0.00 -0.01 0.00 0.00 64.34 64.20 3fak n VAL 269 Cb 0.06 -2.42 0.95 0.00 -0.91 0.00 0.00 33.84 31.52 3fak n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3fak h TRP 270 N -1.98 0.00 -0.93 3.52 0.09 -1.59 -1.24 115.95 113.82 3fak h TRP 270 Ca -0.66 0.00 0.11 0.00 0.09 0.00 0.00 58.89 58.43 3fak h TRP 270 Cb 1.39 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 30.55 3fak h TRP 270 CO 0.45 0.00 0.59 0.45 0.09 0.00 0.00 178.44 180.02 3fak h HIS 271 N 0.00 1.00 0.00 0.12 -0.00 -1.86 -1.10 115.15 113.31 3fak h HIS 271 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3fak h HIS 271 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3fak h HIS 271 CO 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 177.93 178.36 3fak h ALA 272 N 1.55 1.00 -0.67 2.45 0.00 -1.57 -1.39 119.26 120.63 3fak h ALA 272 Ca 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 3fak h ALA 272 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 3fak h ALA 272 CO -0.20 0.00 0.23 1.19 0.00 0.00 0.00 179.25 180.46 3fak n PHE 273 N -2.60 2.24 -0.15 0.00 3.01 -0.41 -4.66 117.46 114.89 3fak n PHE 273 Ca -0.02 -1.20 0.27 0.00 1.01 0.00 0.00 57.45 57.51 3fak n PHE 273 Cb 0.05 -0.65 0.72 0.00 -0.01 0.00 0.00 39.48 39.59 3fak n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3fak h HIS 274 N 2.49 0.00 -0.34 1.38 2.07 -1.38 0.17 115.15 119.54 3fak h HIS 274 Ca 0.24 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.75 3fak h HIS 274 Cb 2.22 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 32.18 3fak h HIS 274 CO 1.21 0.00 0.17 -1.35 -3.07 0.00 0.00 177.93 174.88 3fak h PRO 275 N 0.00 0.47 0.00 5.12 0.11 -1.87 -3.23 132.00 132.60 3fak h PRO 275 Ca 0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3fak h PRO 275 Cb 1.60 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.62 3fak h PRO 275 CO -0.00 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 3fak n MET 276 N -4.43 0.45 -3.96 1.05 0.00 -0.68 -4.98 117.12 104.58 3fak n MET 276 Ca 0.02 -0.83 -0.31 0.00 0.00 0.00 0.00 57.70 56.58 3fak n MET 276 Cb 0.11 -0.97 -0.15 0.00 0.00 0.00 0.00 33.22 32.21 3fak n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3fak s LEU 277 N -0.35 2.95 0.24 3.17 2.96 -0.04 -4.85 118.68 122.76 3fak s LEU 277 Ca 0.00 -1.35 -0.04 0.00 -0.22 0.00 0.00 54.13 52.52 3fak s LEU 277 Cb 0.00 -1.28 0.46 0.00 0.50 0.00 0.00 46.19 45.87 3fak s LEU 277 CO 0.00 -0.25 1.72 -0.65 -1.32 0.00 0.00 176.35 175.85 3fak h PRO 278 N 7.89 0.41 -0.08 0.98 0.11 -1.87 0.21 132.00 139.65 3fak h PRO 278 Ca -0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3fak h PRO 278 Cb 1.06 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fak h PRO 278 CO 0.44 0.27 0.03 0.93 -0.21 0.00 0.00 178.00 179.46 3fak h GLU 279 N 0.42 0.11 0.01 1.05 3.07 -1.95 -0.19 114.58 117.10 3fak h GLU 279 Ca 0.41 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3fak h GLU 279 Cb 0.64 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3fak h GLU 279 CO -0.41 0.09 -0.00 0.78 -1.40 0.00 0.00 179.01 178.06 3fak h GLY 280 N 0.17 -0.01 0.99 -3.84 0.00 -0.81 0.63 103.07 100.20 3fak h GLY 280 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3fak h GLY 280 CO -0.00 -0.00 0.30 0.50 0.00 0.00 0.00 176.54 177.33 3fak h LYS 281 N -0.25 0.68 -0.28 4.80 1.57 -0.94 -2.10 116.57 120.06 3fak h LYS 281 Ca -0.00 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3fak h LYS 281 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3fak h LYS 281 CO 0.00 0.50 0.11 1.96 -0.57 0.00 0.00 179.45 181.45 3fak h GLN 282 N 0.67 0.23 -0.72 3.15 4.20 -0.90 0.08 115.11 121.81 3fak h GLN 282 Ca 0.18 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3fak h GLN 282 Cb 0.00 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3fak h GLN 282 CO -0.03 0.15 0.35 0.00 -0.67 0.00 0.00 178.83 178.64 3fak h ALA 283 N 1.17 0.93 -0.61 3.87 0.00 -0.70 -0.60 119.26 123.32 3fak h ALA 283 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3fak h ALA 283 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3fak h ALA 283 CO -0.11 0.49 0.17 0.82 0.00 0.00 0.00 179.25 180.62 3fak h ILE 284 N 1.01 1.25 -0.77 0.00 2.04 -1.06 -0.41 117.51 119.57 3fak h ILE 284 Ca 0.25 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3fak h ILE 284 Cb 0.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3fak h ILE 284 CO -0.03 0.33 0.50 0.58 0.00 0.00 0.00 178.15 179.52 3fak h VAL 285 N 0.88 1.14 -0.63 1.67 2.07 -0.47 -1.66 116.25 119.25 3fak h VAL 285 Ca 0.20 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3fak h VAL 285 Cb 0.31 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3fak h VAL 285 CO -0.00 0.18 0.35 -0.09 0.02 0.00 0.00 177.57 178.02 3fak h ARG 286 N 0.98 0.89 -0.53 1.57 9.65 -0.56 -0.47 114.38 125.91 3fak h ARG 286 Ca 0.30 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 59.12 3fak h ARG 286 Cb -0.03 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 3fak h ARG 286 CO -0.10 0.67 0.28 0.28 2.80 0.00 0.00 179.97 183.91 3fak h VAL 287 N 0.86 0.98 -0.61 0.20 2.07 -0.49 -0.33 116.25 118.94 3fak h VAL 287 Ca 0.22 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3fak h VAL 287 Cb 0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3fak h VAL 287 CO -0.04 0.10 0.26 1.23 0.02 0.00 0.00 177.57 179.15 3fak h GLY 288 N 0.55 0.96 0.95 2.17 0.00 -0.84 -1.35 103.07 105.52 3fak h GLY 288 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3fak h GLY 288 CO -0.14 0.48 0.19 0.83 0.00 0.00 0.00 176.54 177.90 3fak h GLU 289 N 0.84 0.59 -0.54 4.80 5.08 -0.53 -0.42 114.58 124.39 3fak h GLU 289 Ca 0.21 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3fak h GLU 289 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3fak h GLU 289 CO -0.02 0.52 0.34 0.35 -1.00 0.00 0.00 179.01 179.21 3fak h PHE 290 N 0.52 0.65 -0.60 4.33 3.04 -0.90 0.56 116.94 124.53 3fak h PHE 290 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3fak h PHE 290 Cb 0.13 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 3fak h PHE 290 CO -0.01 0.39 0.38 0.52 -2.02 0.00 0.00 178.31 177.57 3fak h MET 291 N 0.69 0.80 -0.53 1.11 2.86 -0.91 -0.33 114.93 118.63 3fak h MET 291 Ca 0.21 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 3fak h MET 291 Cb -0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3fak h MET 291 CO -0.07 0.55 -0.08 0.00 1.06 0.00 0.00 176.91 178.37 3fak h ARG 292 N 0.81 0.96 -0.01 1.72 3.08 -0.45 -1.69 114.38 118.80 3fak h ARG 292 Ca 0.22 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.96 3fak h ARG 292 Cb -0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3fak h ARG 292 CO -0.04 1.00 -0.14 0.93 -1.07 0.00 0.00 179.97 180.64 3fak h GLU 293 N 0.87 -0.22 -0.21 0.04 5.08 0.76 -1.18 114.58 119.72 3fak h GLU 293 Ca 0.14 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3fak h GLU 293 Cb 0.62 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3fak h GLU 293 CO 0.04 -0.15 -0.09 1.96 -1.00 0.00 0.00 179.01 179.77 3fak h GLN 294 N -0.23 0.33 0.00 2.33 1.08 -0.93 -2.05 115.11 115.64 3fak h GLN 294 Ca 0.05 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3fak h GLN 294 Cb 0.30 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3fak h GLN 294 CO -0.15 0.44 -0.27 -1.49 -0.95 0.00 0.00 178.83 176.40 3fak h TRP 295 N 0.32 0.00 0.00 2.96 6.55 -0.92 -3.08 115.95 121.78 3fak h TRP 295 Ca 0.07 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.71 3fak h TRP 295 Cb 0.36 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.64 3fak h TRP 295 CO 0.01 0.27 -0.91 0.00 -1.05 0.00 0.00 178.44 176.76 3fak h ALA 296 N 1.73 0.50 0.00 1.49 0.00 -0.53 -3.50 119.26 118.94 3fak h ALA 296 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3fak h ALA 296 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fak h ALA 296 CO 0.04 1.11 0.00 0.00 0.00 0.00 0.00 179.25 180.39