#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5o s ILE 2 N 0.00 4.85 0.15 0.52 1.01 -1.26 -4.95 121.20 121.52 1f5o s ILE 2 Ca 0.00 2.06 0.09 0.00 0.00 0.00 0.00 60.65 62.79 1f5o s ILE 2 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1f5o s ILE 2 CO 0.00 0.13 -0.14 0.68 0.00 0.00 0.00 174.94 175.61 1f5o s VAL 3 N 1.18 3.00 -0.12 2.92 -7.23 -1.26 -5.02 120.40 113.86 1f5o s VAL 3 Ca 0.51 -1.59 0.15 0.00 -1.81 0.00 0.00 61.98 59.25 1f5o s VAL 3 Cb -0.21 -2.43 0.29 0.00 0.56 0.00 0.00 36.38 34.59 1f5o s VAL 3 CO 0.26 -0.00 1.15 -0.90 -0.31 0.00 0.00 175.10 175.30 1f5o n ASP 4 N 0.43 1.76 -4.07 4.85 5.75 -1.26 -4.38 116.55 119.64 1f5o n ASP 4 Ca -0.13 -3.05 -0.09 0.00 -0.01 0.00 0.00 54.79 51.51 1f5o n ASP 4 Cb 0.54 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 40.13 1f5o n ASP 4 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1f5o s THR 5 N -2.35 0.12 0.00 2.12 2.01 -1.26 -4.34 115.64 111.94 1f5o s THR 5 Ca 0.29 -1.70 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1f5o s THR 5 Cb 0.27 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.96 1f5o s THR 5 CO -0.01 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.96 1f5o n GLY 6 N -0.07 1.67 3.18 4.40 0.00 -1.26 -4.88 105.19 108.22 1f5o n GLY 6 Ca -0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1f5o n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f5o s SER 7 N -4.00 0.13 0.05 1.61 0.15 -1.26 -5.04 113.70 105.33 1f5o s SER 7 Ca 0.00 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.13 1f5o s SER 7 Cb 0.00 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1f5o s SER 7 CO 0.00 -0.63 -0.12 0.68 1.20 0.00 0.00 173.24 174.36 1f5o s VAL 8 N -3.28 0.96 0.62 4.45 -7.23 -1.26 -5.13 120.40 109.53 1f5o s VAL 8 Ca 0.01 -1.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.88 1f5o s VAL 8 Cb 0.02 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1f5o s VAL 8 CO -0.08 -0.17 1.26 0.00 -0.31 0.00 0.00 175.10 175.80 1f5o s ALA 9 N -1.11 2.46 1.04 1.32 0.00 -1.26 -4.97 121.76 119.24 1f5o s ALA 9 Ca -0.02 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1f5o s ALA 9 Cb -0.09 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.62 1f5o s ALA 9 CO 0.01 -1.41 0.39 -2.30 0.00 0.00 0.00 175.76 172.46 1f5o n PRO 10 N -1.74 -1.05 -3.21 0.00 -0.02 -1.26 -4.95 135.00 122.77 1f5o n PRO 10 Ca 0.15 -0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 1f5o n PRO 10 Cb 0.49 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1f5o n PRO 10 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f5o s LEU 11 N -2.35 4.40 0.50 2.45 1.43 -1.26 -5.06 118.68 118.78 1f5o s LEU 11 Ca 0.59 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 1f5o s LEU 11 Cb -0.18 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1f5o s LEU 11 CO 0.66 0.08 0.89 -0.94 0.23 0.00 0.00 176.35 177.27 1f5o s SER 12 N -0.07 6.44 0.45 2.29 1.04 -1.26 -4.89 113.70 117.70 1f5o s SER 12 Ca 0.31 1.28 0.16 0.00 0.48 0.00 0.00 55.95 58.18 1f5o s SER 12 Cb -0.18 -2.39 1.11 0.00 0.10 0.00 0.00 66.02 64.66 1f5o s SER 12 CO 0.17 -0.59 1.98 0.00 0.98 0.00 0.00 173.24 175.78 1f5o h ALA 13 N 0.62 2.12 -0.19 5.32 0.00 -1.99 -0.73 119.26 124.41 1f5o h ALA 13 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1f5o h ALA 13 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1f5o h ALA 13 CO 0.62 -0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.64 1f5o h ALA 14 N 1.71 0.25 -0.60 0.00 0.00 -2.00 -2.52 119.26 116.10 1f5o h ALA 14 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1f5o h ALA 14 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1f5o h ALA 14 CO -0.06 -0.07 0.14 0.93 0.00 0.00 0.00 179.25 180.18 1f5o h GLU 15 N 0.09 0.97 -0.93 0.00 5.08 -1.60 -2.55 114.58 115.64 1f5o h GLU 15 Ca 0.06 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1f5o h GLU 15 Cb 0.34 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1f5o h GLU 15 CO 0.01 0.90 0.61 0.87 -1.00 0.00 0.00 179.01 180.39 1f5o h LYS 16 N 0.88 1.16 -0.42 2.33 1.57 -1.15 -1.07 116.57 119.88 1f5o h LYS 16 Ca 0.19 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1f5o h LYS 16 Cb 0.37 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1f5o h LYS 16 CO 0.00 0.77 0.20 1.15 -0.57 0.00 0.00 179.45 181.00 1f5o h THR 17 N 1.19 1.18 -0.32 -0.16 2.02 -1.17 -0.30 112.91 115.36 1f5o h THR 17 Ca 0.36 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1f5o h THR 17 Cb -0.04 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1f5o h THR 17 CO -0.11 0.19 0.12 0.11 0.37 0.00 0.00 175.52 176.21 1f5o h LYS 18 N 0.53 0.47 -0.00 6.66 1.57 -1.12 -2.27 116.57 122.42 1f5o h LYS 18 Ca 0.14 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1f5o h LYS 18 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1f5o h LYS 18 CO -0.02 0.49 -0.21 0.82 -0.57 0.00 0.00 179.45 179.96 1f5o h ILE 19 N 0.36 0.50 -0.87 1.86 2.04 -0.97 0.58 117.51 121.01 1f5o h ILE 19 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 1f5o h ILE 19 Cb 0.20 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1f5o h ILE 19 CO -0.01 0.00 0.56 0.03 0.00 0.00 0.00 178.15 178.74 1f5o h ARG 20 N -0.34 0.68 0.22 2.37 3.08 -0.94 0.10 114.38 119.56 1f5o h ARG 20 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1f5o h ARG 20 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1f5o h ARG 20 CO -0.20 0.45 -0.11 0.77 -1.07 0.00 0.00 179.97 179.82 1f5o h SER 21 N 0.70 -0.25 -0.16 7.04 0.02 -0.62 -1.71 113.55 118.57 1f5o h SER 21 Ca 0.43 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1f5o h SER 21 Cb 0.66 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1f5o h SER 21 CO -0.19 0.16 0.09 0.00 -1.14 0.00 0.00 176.83 175.76 1f5o h ALA 22 N -0.11 1.82 0.02 3.77 0.00 -0.52 -3.15 119.26 121.10 1f5o h ALA 22 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1f5o h ALA 22 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1f5o h ALA 22 CO 0.05 0.15 -0.01 2.35 0.00 0.00 0.00 179.25 181.79 1f5o h TRP 23 N 0.25 -0.03 -0.67 0.00 2.91 -0.76 -3.35 115.95 114.30 1f5o h TRP 23 Ca 0.07 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.16 1f5o h TRP 23 Cb 0.02 0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 28.59 1f5o h TRP 23 CO 0.00 0.64 -0.34 0.00 -1.03 0.00 0.00 178.44 177.71 1f5o n ALA 24 N -2.49 -0.29 0.05 2.65 0.00 -0.65 -0.84 120.51 118.95 1f5o n ALA 24 Ca -0.09 0.61 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1f5o n ALA 24 Cb 0.34 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 1f5o n ALA 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f5o h PRO 25 N 0.00 -0.07 0.05 0.00 0.11 -1.73 -0.61 132.00 129.76 1f5o h PRO 25 Ca 0.16 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1f5o h PRO 25 Cb 0.33 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1f5o h PRO 25 CO -0.65 -0.04 -0.08 0.28 -0.21 0.00 0.00 178.00 177.30 1f5o h VAL 26 N -0.07 0.81 0.00 3.15 2.07 -1.12 -2.55 116.25 118.54 1f5o h VAL 26 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1f5o h VAL 26 Cb 0.08 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1f5o h VAL 26 CO -0.04 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 177.57 1f5o h TYR 27 N -0.16 0.00 -0.77 1.57 3.20 -1.08 -2.79 116.97 116.93 1f5o h TYR 27 Ca 0.01 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.07 1f5o h TYR 27 Cb 0.17 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1f5o h TYR 27 CO -0.12 0.20 0.53 1.03 -1.64 0.00 0.00 178.16 178.16 1f5o h SER 28 N 0.00 0.23 -1.27 -2.11 0.87 -0.66 -1.78 113.55 108.83 1f5o h SER 28 Ca -0.00 0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 60.12 1f5o h SER 28 Cb 0.51 -0.03 -0.41 0.00 -0.44 0.00 0.00 62.40 62.04 1f5o h SER 28 CO 0.03 0.11 -1.02 0.35 -0.53 0.00 0.00 176.83 175.77 1f5o n THR 29 N -4.42 1.48 -0.00 2.23 -2.24 -1.07 -4.94 114.28 105.32 1f5o n THR 29 Ca 0.15 -3.87 0.19 0.00 -2.27 0.00 0.00 64.05 58.25 1f5o n THR 29 Cb 0.68 -0.13 0.67 0.00 -2.10 0.00 0.00 70.33 69.45 1f5o n THR 29 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1f5o h TYR 30 N 2.85 0.05 -0.10 4.78 -0.00 -1.16 -1.67 116.97 121.72 1f5o h TYR 30 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.77 1f5o h TYR 30 Cb 1.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 1f5o h TYR 30 CO 0.62 0.02 -0.04 0.93 -0.00 0.00 0.00 178.16 179.69 1f5o h GLU 31 N 0.04 0.14 0.02 0.10 4.39 -1.89 0.36 114.58 117.74 1f5o h GLU 31 Ca 0.25 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.65 1f5o h GLU 31 Cb 0.95 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 1f5o h GLU 31 CO -0.01 0.20 -1.53 2.41 -1.16 0.00 0.00 179.01 178.92 1f5o n THR 32 N -4.40 1.58 0.12 1.13 -1.04 -0.69 -3.57 114.28 107.40 1f5o n THR 32 Ca -0.01 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1f5o n THR 32 Cb 0.17 -1.96 -0.06 0.00 -1.82 0.00 0.00 70.33 66.66 1f5o n THR 32 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1f5o h SER 33 N -0.79 -0.82 -0.65 8.00 0.02 -1.33 -1.52 113.55 116.45 1f5o h SER 33 Ca -0.40 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1f5o h SER 33 Cb 1.47 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 64.23 1f5o h SER 33 CO -0.18 -0.38 0.13 1.23 -1.14 0.00 0.00 176.83 176.50 1f5o h GLY 34 N -0.51 0.85 1.10 -3.77 0.00 -0.48 0.46 103.07 100.72 1f5o h GLY 34 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1f5o h GLY 34 CO -0.16 -0.15 0.08 -2.08 0.00 0.00 0.00 176.54 174.22 1f5o h VAL 35 N 0.25 1.26 -0.24 4.60 2.07 -1.52 -0.87 116.25 121.81 1f5o h VAL 35 Ca 0.35 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1f5o h VAL 35 Cb 0.56 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1f5o h VAL 35 CO -0.46 0.40 0.03 0.44 0.02 0.00 0.00 177.57 178.00 1f5o h ASP 36 N 1.02 0.39 -0.53 0.57 3.32 -0.30 0.15 116.42 121.04 1f5o h ASP 36 Ca 0.19 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1f5o h ASP 36 Cb 0.48 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1f5o h ASP 36 CO 0.02 0.57 0.30 0.40 -1.72 0.00 0.00 179.24 178.80 1f5o h ILE 37 N 0.19 1.02 -0.26 0.35 2.04 -0.79 0.57 117.51 120.63 1f5o h ILE 37 Ca 0.07 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 1f5o h ILE 37 Cb 0.35 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1f5o h ILE 37 CO 0.01 0.11 -0.43 0.25 0.00 0.00 0.00 178.15 178.08 1f5o h LEU 38 N 0.59 0.82 -0.92 1.44 5.85 -1.03 -1.77 115.31 120.29 1f5o h LEU 38 Ca 0.22 -0.53 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1f5o h LEU 38 Cb 0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1f5o h LEU 38 CO -0.12 1.19 0.09 0.58 -0.34 0.00 0.00 178.44 179.84 1f5o h VAL 39 N 0.48 1.24 0.05 1.05 2.07 -0.48 -0.35 116.25 120.31 1f5o h VAL 39 Ca 0.02 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1f5o h VAL 39 Cb 1.03 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1f5o h VAL 39 CO 0.10 0.34 -0.02 0.50 0.02 0.00 0.00 177.57 178.50 1f5o h LYS 40 N 0.84 -0.06 -0.52 1.57 3.64 -0.84 -1.84 116.57 119.35 1f5o h LYS 40 Ca 0.17 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1f5o h LYS 40 Cb 0.37 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1f5o h LYS 40 CO 0.01 0.20 0.30 0.35 -2.27 0.00 0.00 179.45 178.03 1f5o h PHE 41 N -0.32 0.55 -0.07 1.91 3.57 -1.12 -2.25 116.94 119.20 1f5o h PHE 41 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1f5o h PHE 41 Cb 0.29 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1f5o h PHE 41 CO 0.01 0.30 0.02 0.35 -2.23 0.00 0.00 178.31 176.77 1f5o h PHE 42 N 0.59 0.12 -0.43 0.41 3.04 -1.03 -2.32 116.94 117.32 1f5o h PHE 42 Ca 0.21 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.06 1f5o h PHE 42 Cb 0.06 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1f5o h PHE 42 CO -0.07 0.28 -0.11 1.79 -2.02 0.00 0.00 178.31 178.18 1f5o h THR 43 N -0.07 1.26 -0.08 4.41 1.35 -1.29 -3.08 112.91 115.40 1f5o h THR 43 Ca 0.02 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1f5o h THR 43 Cb 0.22 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1f5o h THR 43 CO -0.00 0.40 0.00 -1.54 -0.25 0.00 0.00 175.52 174.13 1f5o n SER 44 N -4.17 1.69 -3.23 5.36 3.41 -0.85 -4.43 113.62 111.40 1f5o n SER 44 Ca 0.01 -1.62 -0.24 0.00 -0.26 0.00 0.00 58.87 56.77 1f5o n SER 44 Cb 0.36 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1f5o n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1f5o n THR 45 N 0.32 0.41 -0.32 6.66 -1.04 -0.88 -4.98 114.28 114.46 1f5o n THR 45 Ca 0.18 -4.50 0.21 0.00 -2.04 0.00 0.00 64.05 57.89 1f5o n THR 45 Cb 0.36 -1.73 0.42 0.00 -1.82 0.00 0.00 70.33 67.56 1f5o n THR 45 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1f5o h PRO 46 N 3.84 0.24 -0.20 -2.82 0.11 -1.78 -1.10 132.00 130.29 1f5o h PRO 46 Ca 0.11 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.27 1f5o h PRO 46 Cb 0.81 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1f5o h PRO 46 CO 0.59 0.16 0.15 0.00 -0.21 0.00 0.00 178.00 178.68 1f5o h ALA 47 N 1.85 2.17 -0.00 -0.75 0.00 -1.93 -1.77 119.26 118.82 1f5o h ALA 47 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1f5o h ALA 47 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1f5o h ALA 47 CO -0.65 -0.25 -0.36 0.00 0.00 0.00 0.00 179.25 177.98 1f5o n ALA 48 N -2.56 3.27 0.05 0.00 0.00 -0.42 -4.30 120.51 116.54 1f5o n ALA 48 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.11 1f5o n ALA 48 Cb 0.29 -1.14 0.38 0.00 0.00 0.00 0.00 19.45 18.98 1f5o n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1f5o h GLN 49 N 0.62 0.42 0.00 0.00 4.20 -1.36 -2.39 115.11 116.60 1f5o h GLN 49 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1f5o h GLN 49 Cb 0.50 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1f5o h GLN 49 CO 0.00 0.42 0.00 -0.85 -0.67 0.00 0.00 178.83 177.73 1f5o n GLU 50 N -4.35 0.08 -0.06 1.46 0.28 -1.26 -1.65 120.64 115.14 1f5o n GLU 50 Ca 0.01 0.52 0.11 0.00 -0.16 0.00 0.00 57.16 57.64 1f5o n GLU 50 Cb 0.19 -1.74 0.40 0.00 1.43 0.00 0.00 31.44 31.71 1f5o n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1f5o n PHE 51 N -1.91 0.17 -3.44 -1.84 3.01 -0.90 -4.33 117.46 108.22 1f5o n PHE 51 Ca 0.00 -0.08 -0.29 0.00 1.01 0.00 0.00 57.45 58.09 1f5o n PHE 51 Cb 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 1f5o n PHE 51 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1f5o n PHE 52 N 0.36 3.51 -0.26 1.38 3.01 -0.66 -4.93 117.46 119.87 1f5o n PHE 52 Ca 0.17 -4.02 0.06 0.00 1.01 0.00 0.00 57.45 54.67 1f5o n PHE 52 Cb 0.35 -0.66 0.20 0.00 -0.01 0.00 0.00 39.48 39.37 1f5o n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1f5o h PRO 53 N 4.50 0.31 0.00 -1.08 0.11 -1.81 0.68 132.00 134.71 1f5o h PRO 53 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1f5o h PRO 53 Cb 0.67 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1f5o h PRO 53 CO 0.87 0.20 0.00 1.63 -0.21 0.00 0.00 178.00 180.50 1f5o n LYS 54 N -5.11 0.14 -0.13 1.05 5.02 -1.26 -1.63 118.16 116.24 1f5o n LYS 54 Ca 0.15 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 1f5o n LYS 54 Cb 0.48 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.14 1f5o n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1f5o n PHE 55 N -1.18 0.33 -1.58 2.13 3.72 0.23 -4.93 117.46 116.18 1f5o n PHE 55 Ca 0.04 -0.21 -0.47 0.00 -0.05 0.00 0.00 57.45 56.76 1f5o n PHE 55 Cb 0.04 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1f5o n PHE 55 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f5o n LYS 56 N 1.13 1.26 0.00 -1.08 5.02 -0.65 -1.21 118.16 122.64 1f5o n LYS 56 Ca 0.15 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1f5o n LYS 56 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1f5o n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f5o n GLY 57 N 1.81 2.43 3.76 0.72 0.00 -1.26 -5.01 105.19 107.64 1f5o n GLY 57 Ca 0.13 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1f5o n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f5o s LEU 58 N 0.00 4.44 0.31 0.99 2.01 -0.35 -4.88 118.68 121.20 1f5o s LEU 58 Ca 0.00 2.56 0.00 0.00 0.01 0.00 0.00 54.13 56.70 1f5o s LEU 58 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1f5o s LEU 58 CO 0.00 -0.50 0.00 0.35 1.01 0.00 0.00 176.35 177.21 1f5o n THR 59 N 1.48 0.00 -1.82 5.49 -2.24 -1.26 -5.04 114.28 110.90 1f5o n THR 59 Ca 0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 1f5o n THR 59 Cb 0.42 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1f5o n THR 59 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1f5o s THR 60 N -1.96 2.16 0.37 4.28 -4.23 -1.26 -4.86 115.64 110.14 1f5o s THR 60 Ca 0.00 0.11 0.36 0.00 -1.18 0.00 0.00 61.69 60.98 1f5o s THR 60 Cb 0.00 -3.06 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1f5o s THR 60 CO 0.00 -0.01 2.13 0.00 -0.54 0.00 0.00 174.62 176.21 1f5o h ALA 61 N 1.27 1.07 -0.12 3.99 0.00 -1.99 -2.47 119.26 121.02 1f5o h ALA 61 Ca -0.51 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 1f5o h ALA 61 Cb 1.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1f5o h ALA 61 CO 0.56 0.05 -0.75 0.22 0.00 0.00 0.00 179.25 179.33 1f5o h ASP 62 N 0.00 0.86 -0.29 0.00 -0.00 -2.00 -2.63 116.42 112.36 1f5o h ASP 62 Ca -0.00 -0.65 -0.01 0.00 -0.00 0.00 0.00 57.03 56.37 1f5o h ASP 62 Cb 0.31 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 1f5o h ASP 62 CO 0.00 1.38 0.15 1.56 -0.00 0.00 0.00 179.24 182.33 1f5o h GLN 63 N 0.40 0.41 0.38 0.28 4.20 -1.81 -3.13 115.11 115.84 1f5o h GLN 63 Ca -0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1f5o h GLN 63 Cb 1.39 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1f5o h GLN 63 CO 0.15 0.36 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.22 1f5o h LEU 64 N 0.34 -1.04 -1.08 1.46 3.38 -1.54 -1.60 115.31 115.23 1f5o h LEU 64 Ca 0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1f5o h LEU 64 Cb 0.08 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1f5o h LEU 64 CO -0.02 -0.53 0.25 0.11 0.09 0.00 0.00 178.44 178.35 1f5o h LYS 65 N -0.79 0.00 0.00 1.13 1.57 -1.44 -0.11 116.57 116.93 1f5o h LYS 65 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1f5o h LYS 65 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1f5o h LYS 65 CO -0.06 0.00 -2.02 1.63 -0.57 0.00 0.00 179.45 178.42 1f5o n LYS 66 N -2.17 0.66 -2.14 3.15 5.02 -0.67 -4.91 118.16 117.11 1f5o n LYS 66 Ca -0.01 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1f5o n LYS 66 Cb 0.28 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1f5o n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f5o s SER 67 N -4.77 6.80 0.40 4.39 0.15 -0.06 -4.91 113.70 115.70 1f5o s SER 67 Ca -0.08 2.42 0.21 0.00 0.70 0.00 0.00 55.95 59.19 1f5o s SER 67 Cb 0.12 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.56 1f5o s SER 67 CO 0.89 -0.64 1.75 0.00 1.20 0.00 0.00 173.24 176.43 1f5o h ALA 68 N 6.21 0.98 -0.39 5.45 0.00 -1.92 -2.60 119.26 126.99 1f5o h ALA 68 Ca -0.43 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 1f5o h ALA 68 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1f5o h ALA 68 CO 0.84 0.40 -0.06 -0.44 0.00 0.00 0.00 179.25 179.99 1f5o h ASP 69 N 0.00 0.73 -0.27 0.00 3.45 -1.93 -2.03 116.42 116.38 1f5o h ASP 69 Ca -0.00 -0.34 -0.03 0.00 0.43 0.00 0.00 57.03 57.09 1f5o h ASP 69 Cb 0.87 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 1f5o h ASP 69 CO 0.04 0.90 0.05 0.58 -1.57 0.00 0.00 179.24 179.25 1f5o h VAL 70 N 0.55 1.22 -0.99 -1.35 2.07 -1.81 -2.32 116.25 113.63 1f5o h VAL 70 Ca 0.10 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1f5o h VAL 70 Cb 0.56 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1f5o h VAL 70 CO 0.03 0.24 0.65 0.03 0.02 0.00 0.00 177.57 178.55 1f5o h ARG 71 N 0.26 1.30 -0.22 1.57 3.08 -1.43 -1.06 114.38 117.88 1f5o h ARG 71 Ca 0.08 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1f5o h ARG 71 Cb 0.31 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1f5o h ARG 71 CO 0.00 0.86 -0.07 2.35 -1.07 0.00 0.00 179.97 182.04 1f5o h TRP 72 N 1.34 0.49 -0.79 3.04 -0.00 -1.29 -0.03 115.95 118.71 1f5o h TRP 72 Ca 0.36 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.89 59.11 1f5o h TRP 72 Cb -0.15 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 28.85 1f5o h TRP 72 CO 0.00 0.69 0.39 1.25 -0.00 0.00 0.00 178.44 180.77 1f5o h HIS 73 N 0.15 1.12 -0.43 2.65 2.76 -1.27 -1.44 115.15 118.70 1f5o h HIS 73 Ca 0.05 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 1f5o h HIS 73 Cb 0.54 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1f5o h HIS 73 CO 0.06 0.81 -0.19 0.00 -1.30 0.00 0.00 177.93 177.31 1f5o h ALA 74 N 1.20 0.60 -0.37 5.26 0.00 -1.11 -2.10 119.26 122.74 1f5o h ALA 74 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1f5o h ALA 74 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1f5o h ALA 74 CO -0.04 0.56 -0.00 0.93 0.00 0.00 0.00 179.25 180.70 1f5o h GLU 75 N 0.71 0.59 -0.13 0.00 5.08 -0.69 -0.70 114.58 119.45 1f5o h GLU 75 Ca 0.10 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1f5o h GLU 75 Cb 0.75 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1f5o h GLU 75 CO 0.06 0.62 -0.25 0.00 -1.00 0.00 0.00 179.01 178.44 1f5o h ARG 76 N 0.56 0.39 0.04 2.33 3.08 -1.18 -2.34 114.38 117.27 1f5o h ARG 76 Ca 0.12 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1f5o h ARG 76 Cb 0.37 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1f5o h ARG 76 CO 0.01 0.85 -0.02 0.82 -1.07 0.00 0.00 179.97 180.56 1f5o h ILE 77 N -0.02 1.01 0.00 2.04 2.04 -1.23 -1.87 117.51 119.48 1f5o h ILE 77 Ca 0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1f5o h ILE 77 Cb 0.83 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1f5o h ILE 77 CO 0.06 0.04 -0.05 -0.29 0.00 0.00 0.00 178.15 177.90 1f5o h ILE 78 N -0.12 1.01 0.00 -0.67 -0.00 -1.19 -1.58 117.51 114.95 1f5o h ILE 78 Ca -0.01 -0.18 -0.05 0.00 -0.00 0.00 0.00 64.86 64.62 1f5o h ILE 78 Cb 0.11 1.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.02 1f5o h ILE 78 CO 0.01 0.05 -0.34 0.78 -0.00 0.00 0.00 178.15 178.65 1f5o h ASN 79 N 0.00 0.00 -0.22 2.19 2.35 -1.13 -2.69 115.58 116.07 1f5o h ASN 79 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1f5o h ASN 79 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1f5o h ASN 79 CO 0.01 0.22 -0.24 0.00 -1.65 0.00 0.00 177.43 175.76 1f5o h ALA 80 N 1.78 0.33 -0.61 -0.83 0.00 -0.47 -0.90 119.26 118.56 1f5o h ALA 80 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1f5o h ALA 80 Cb 1.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1f5o h ALA 80 CO 0.03 0.30 0.38 0.28 0.00 0.00 0.00 179.25 180.24 1f5o h VAL 81 N 0.25 1.17 -0.99 0.00 2.07 -1.47 -1.97 116.25 115.31 1f5o h VAL 81 Ca 0.03 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1f5o h VAL 81 Cb 0.80 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1f5o h VAL 81 CO 0.06 0.18 0.64 -1.13 0.02 0.00 0.00 177.57 177.34 1f5o h ASN 82 N 0.83 1.04 -0.87 0.57 -1.24 -1.21 0.58 115.58 115.29 1f5o h ASN 82 Ca 0.22 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1f5o h ASN 82 Cb -0.04 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 1f5o h ASN 82 CO -0.04 0.68 0.45 0.44 -1.29 0.00 0.00 177.43 177.67 1f5o h ASP 83 N 1.19 1.11 -0.21 1.15 3.45 -0.48 0.97 116.42 123.60 1f5o h ASP 83 Ca 0.41 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 1f5o h ASP 83 Cb 0.10 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1f5o h ASP 83 CO -0.15 0.91 0.07 0.00 -1.57 0.00 0.00 179.24 178.50 1f5o h ALA 84 N 1.24 0.27 -1.00 3.45 0.00 -0.44 -2.07 119.26 120.71 1f5o h ALA 84 Ca 0.30 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1f5o h ALA 84 Cb 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1f5o h ALA 84 CO -0.04 -0.12 0.66 0.28 0.00 0.00 0.00 179.25 180.02 1f5o h VAL 85 N 0.17 1.16 0.00 0.00 2.07 -0.41 -0.47 116.25 118.77 1f5o h VAL 85 Ca 0.07 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1f5o h VAL 85 Cb 0.20 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1f5o h VAL 85 CO -0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1f5o n ALA 86 N -2.37 1.83 -0.34 1.67 0.00 0.29 -3.24 120.51 118.35 1f5o n ALA 86 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.61 1f5o n ALA 86 Cb 0.11 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.39 1f5o n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f5o n SER 87 N -1.75 3.00 0.29 0.00 7.64 -0.21 -4.67 113.62 117.93 1f5o n SER 87 Ca 0.04 -2.22 0.17 0.00 1.01 0.00 0.00 58.87 57.87 1f5o n SER 87 Cb 0.24 -0.27 0.86 0.00 -1.01 0.00 0.00 64.21 64.02 1f5o n SER 87 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1f5o h MET 88 N 1.72 0.00 -0.01 1.43 2.86 -1.48 0.29 114.93 119.75 1f5o h MET 88 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1f5o h MET 88 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1f5o h MET 88 CO 0.04 0.00 -0.35 -0.25 1.06 0.00 0.00 176.91 177.41 1f5o n ASP 89 N -3.10 1.15 -3.39 1.22 10.43 -1.26 -4.34 116.55 117.26 1f5o n ASP 89 Ca -0.01 -0.94 -0.26 0.00 2.57 0.00 0.00 54.79 56.15 1f5o n ASP 89 Cb 0.37 0.24 -0.09 0.00 1.84 0.00 0.00 41.12 43.48 1f5o n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1f5o n ASP 90 N -0.66 0.78 0.33 -2.24 4.64 0.10 -4.95 116.55 114.56 1f5o n ASP 90 Ca 0.11 -2.74 0.22 0.00 -1.38 0.00 0.00 54.79 50.99 1f5o n ASP 90 Cb 0.37 -0.63 1.18 0.00 -1.04 0.00 0.00 41.12 41.00 1f5o n ASP 90 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1f5o h THR 91 N 3.42 0.00 -0.07 5.18 1.03 -1.75 -1.85 112.91 118.87 1f5o h THR 91 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.39 1f5o h THR 91 Cb 0.84 0.96 0.01 0.00 -1.07 0.00 0.00 68.15 68.90 1f5o h THR 91 CO 0.51 0.00 -0.67 -0.08 -0.01 0.00 0.00 175.52 175.28 1f5o h GLU 92 N 0.00 0.58 -0.45 0.00 4.81 -1.92 -2.59 114.58 115.00 1f5o h GLU 92 Ca 0.00 -0.53 -0.14 0.00 -0.13 0.00 0.00 59.36 58.57 1f5o h GLU 92 Cb 0.05 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1f5o h GLU 92 CO 0.00 1.15 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.96 1f5o h LYS 93 N 0.19 0.96 -0.92 1.92 3.64 -1.71 -2.72 116.57 117.93 1f5o h LYS 93 Ca -0.06 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1f5o h LYS 93 Cb 1.32 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1f5o h LYS 93 CO 0.13 1.09 0.60 1.98 -2.27 0.00 0.00 179.45 180.99 1f5o h MET 94 N 0.82 1.10 0.13 1.90 4.05 -1.42 -2.63 114.93 118.87 1f5o h MET 94 Ca 0.10 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1f5o h MET 94 Cb 0.83 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1f5o h MET 94 CO 0.07 0.73 -0.06 0.77 0.23 0.00 0.00 176.91 178.65 1f5o h SER 95 N 1.13 -0.14 -0.32 1.39 0.02 -1.32 -2.64 113.55 111.67 1f5o h SER 95 Ca 0.37 -0.31 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1f5o h SER 95 Cb 0.06 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1f5o h SER 95 CO -0.12 0.25 -0.21 0.24 -1.14 0.00 0.00 176.83 175.85 1f5o h MET 96 N -0.57 -0.17 -0.60 3.45 2.07 -1.30 0.20 114.93 118.01 1f5o h MET 96 Ca -0.02 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.64 1f5o h MET 96 Cb 0.45 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.18 1f5o h MET 96 CO 0.03 -0.11 0.39 -0.22 1.07 0.00 0.00 176.91 178.07 1f5o h LYS 97 N -0.17 0.76 -0.22 1.72 3.64 -1.54 -2.09 116.57 118.67 1f5o h LYS 97 Ca 0.17 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 1f5o h LYS 97 Cb 0.43 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1f5o h LYS 97 CO -0.43 0.51 -0.61 -0.07 -2.27 0.00 0.00 179.45 176.58 1f5o h LEU 98 N 0.79 0.85 -1.01 5.20 3.38 -1.03 -2.44 115.31 121.04 1f5o h LEU 98 Ca 0.23 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1f5o h LEU 98 Cb -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1f5o h LEU 98 CO -0.06 1.26 0.36 0.03 0.09 0.00 0.00 178.44 180.11 1f5o h ARG 99 N 0.56 1.06 -0.34 1.13 3.08 -0.49 0.40 114.38 119.77 1f5o h ARG 99 Ca -0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1f5o h ARG 99 Cb 1.21 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1f5o h ARG 99 CO 0.13 0.81 0.20 0.22 -1.07 0.00 0.00 179.97 180.26 1f5o h ASP 100 N 1.05 0.41 -0.19 7.04 3.58 -1.30 -1.32 116.42 125.69 1f5o h ASP 100 Ca 0.26 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1f5o h ASP 100 Cb 0.11 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1f5o h ASP 100 CO -0.03 0.36 -0.01 0.25 -2.88 0.00 0.00 179.24 176.92 1f5o h LEU 101 N 0.43 0.44 -0.24 2.28 5.85 -0.79 -2.31 115.31 120.97 1f5o h LEU 101 Ca 0.12 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1f5o h LEU 101 Cb 0.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1f5o h LEU 101 CO -0.02 0.51 0.12 -1.28 -0.34 0.00 0.00 178.44 177.43 1f5o h SER 102 N 0.45 0.30 -0.74 1.25 0.87 0.48 -2.29 113.55 113.87 1f5o h SER 102 Ca 0.10 -0.10 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1f5o h SER 102 Cb 0.32 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1f5o h SER 102 CO 0.01 0.32 0.41 1.23 -0.53 0.00 0.00 176.83 178.27 1f5o h GLY 103 N 0.26 1.12 1.03 5.77 0.00 -0.72 -1.58 103.07 108.95 1f5o h GLY 103 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1f5o h GLY 103 CO -0.01 0.14 0.34 0.50 0.00 0.00 0.00 176.54 177.50 1f5o h LYS 104 N 0.73 1.13 -0.51 4.80 1.57 -1.17 0.19 116.57 123.30 1f5o h LYS 104 Ca 0.35 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1f5o h LYS 104 Cb 0.28 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1f5o h LYS 104 CO -0.22 0.90 -0.02 0.45 -0.57 0.00 0.00 179.45 179.98 1f5o h HIS 105 N 1.09 0.93 0.19 -1.35 3.86 -0.83 -1.07 115.15 117.98 1f5o h HIS 105 Ca 0.26 -0.15 -0.27 0.00 -1.16 0.00 0.00 60.37 59.05 1f5o h HIS 105 Cb 0.17 -0.25 0.03 0.00 1.06 0.00 0.00 27.41 28.41 1f5o h HIS 105 CO 0.01 0.86 -1.23 0.00 0.86 0.00 0.00 177.93 178.44 1f5o h ALA 106 N 1.17 -0.08 0.00 2.45 0.00 -0.98 0.58 119.26 122.40 1f5o h ALA 106 Ca 0.15 -0.84 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1f5o h ALA 106 Cb 0.51 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1f5o h ALA 106 CO 0.03 0.60 -1.30 0.87 0.00 0.00 0.00 179.25 179.45 1f5o h LYS 107 N -0.11 0.00 0.00 0.00 1.57 -0.69 -3.37 116.57 113.98 1f5o h LYS 107 Ca -0.22 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1f5o h LYS 107 Cb 1.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.23 1f5o h LYS 107 CO 0.20 0.41 -0.54 0.43 -0.57 0.00 0.00 179.45 179.38 1f5o n SER 108 N -3.00 1.24 0.22 0.86 7.64 -0.48 -4.71 113.62 115.39 1f5o n SER 108 Ca -0.09 0.18 0.08 0.00 1.01 0.00 0.00 58.87 60.06 1f5o n SER 108 Cb 0.87 -0.43 0.48 0.00 -1.01 0.00 0.00 64.21 64.12 1f5o n SER 108 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1f5o h PHE 109 N -0.32 0.00 -6.07 1.43 0.05 -1.47 -3.47 116.94 107.09 1f5o h PHE 109 Ca -0.04 0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.34 1f5o h PHE 109 Cb 0.49 0.00 0.08 0.00 2.00 0.00 0.00 35.95 38.52 1f5o h PHE 109 CO -0.12 0.26 -0.88 1.04 -0.18 0.00 0.00 178.31 178.43 1f5o n GLN 110 N -3.57 -2.92 -3.81 1.51 6.02 0.14 -4.96 117.38 109.79 1f5o n GLN 110 Ca -0.01 0.58 -0.35 0.00 -0.01 0.00 0.00 57.00 57.21 1f5o n GLN 110 Cb 0.40 -4.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.79 1f5o n GLN 110 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1f5o s VAL 111 N -3.57 5.36 0.04 5.09 -7.23 -0.83 -5.03 120.40 114.24 1f5o s VAL 111 Ca 0.26 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 1f5o s VAL 111 Cb -0.08 -3.53 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 1f5o s VAL 111 CO 0.83 0.41 1.82 -0.62 -0.31 0.00 0.00 175.10 177.23 1f5o s ASP 112 N -1.60 6.51 0.31 4.85 -1.08 -1.26 -4.80 116.67 119.61 1f5o s ASP 112 Ca 0.25 2.57 0.22 0.00 -0.52 0.00 0.00 52.55 55.07 1f5o s ASP 112 Cb -0.13 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.94 1f5o s ASP 112 CO 0.14 -0.99 1.68 -0.81 0.52 0.00 0.00 175.17 175.72 1f5o n PRO 113 N 6.69 0.15 0.23 4.34 -0.04 -1.26 -3.27 135.00 141.85 1f5o n PRO 113 Ca 0.18 0.60 0.10 0.00 -0.04 0.00 0.00 63.50 64.34 1f5o n PRO 113 Cb 0.41 -1.95 0.56 0.00 -0.04 0.00 0.00 33.50 32.47 1f5o n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1f5o h GLN 114 N 0.00 0.00 0.00 0.54 3.07 -2.02 -3.18 115.11 113.52 1f5o h GLN 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1f5o h GLN 114 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1f5o h GLN 114 CO 0.00 0.20 -0.02 0.66 0.09 0.00 0.00 178.83 179.77 1f5o n TYR 115 N -3.55 0.85 -0.20 0.06 4.02 -1.20 -3.94 117.16 113.20 1f5o n TYR 115 Ca -0.01 0.25 -0.01 0.00 -0.01 0.00 0.00 57.90 58.12 1f5o n TYR 115 Cb 0.35 -0.90 0.06 0.00 -0.02 0.00 0.00 39.34 38.84 1f5o n TYR 115 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1f5o h PHE 116 N 0.00 -0.28 -0.03 -0.72 0.05 -1.80 -0.24 116.94 113.93 1f5o h PHE 116 Ca 0.00 0.05 -0.11 0.00 3.82 0.00 0.00 57.97 61.73 1f5o h PHE 116 Cb 0.72 0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.87 1f5o h PHE 116 CO 0.00 -0.25 -0.49 1.57 -0.18 0.00 0.00 178.31 178.97 1f5o h LYS 117 N 0.01 0.07 -0.23 1.51 2.10 -1.83 -0.44 116.57 117.75 1f5o h LYS 117 Ca 0.29 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.89 1f5o h LYS 117 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1f5o h LYS 117 CO -0.60 0.54 0.10 0.28 -2.00 0.00 0.00 179.45 177.77 1f5o h VAL 118 N 0.06 1.16 -0.34 0.07 2.07 -1.26 -1.09 116.25 116.91 1f5o h VAL 118 Ca -0.00 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1f5o h VAL 118 Cb 0.88 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1f5o h VAL 118 CO 0.07 0.16 -0.36 0.25 0.02 0.00 0.00 177.57 177.71 1f5o h LEU 119 N 0.23 0.82 -1.08 2.57 5.85 -1.17 -2.83 115.31 119.70 1f5o h LEU 119 Ca 0.08 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.54 1f5o h LEU 119 Cb 0.16 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 1f5o h LEU 119 CO -0.01 1.09 0.62 0.00 -0.34 0.00 0.00 178.44 179.80 1f5o h ALA 120 N 0.95 1.52 -0.49 1.25 0.00 -0.83 -1.54 119.26 120.12 1f5o h ALA 120 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f5o h ALA 120 Cb 0.90 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1f5o h ALA 120 CO 0.08 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.90 1f5o h ALA 121 N 1.52 0.63 -0.81 0.00 0.00 -0.96 -0.05 119.26 119.58 1f5o h ALA 121 Ca 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1f5o h ALA 121 Cb 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1f5o h ALA 121 CO -0.20 0.13 0.43 0.28 0.00 0.00 0.00 179.25 179.89 1f5o h VAL 122 N 0.65 1.24 -0.55 0.00 2.07 -1.20 0.39 116.25 118.84 1f5o h VAL 122 Ca 0.17 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1f5o h VAL 122 Cb 0.03 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1f5o h VAL 122 CO -0.03 0.28 0.12 0.40 0.02 0.00 0.00 177.57 178.36 1f5o h ILE 123 N 1.13 1.23 -0.32 4.57 2.04 -0.88 -2.26 117.51 123.03 1f5o h ILE 123 Ca 0.28 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1f5o h ILE 123 Cb 0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1f5o h ILE 123 CO -0.04 0.32 -0.11 0.00 0.00 0.00 0.00 178.15 178.32 1f5o h ALA 124 N 1.30 0.45 0.06 1.87 0.00 -0.07 -1.51 119.26 121.35 1f5o h ALA 124 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f5o h ALA 124 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1f5o h ALA 124 CO 0.00 0.31 -0.07 -0.44 0.00 0.00 0.00 179.25 179.05 1f5o h ASP 125 N 0.41 -0.18 -0.34 0.00 3.45 -0.80 -0.41 116.42 118.55 1f5o h ASP 125 Ca 0.08 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.57 1f5o h ASP 125 Cb 0.62 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 1f5o h ASP 125 CO 0.04 -0.11 0.19 0.74 -1.57 0.00 0.00 179.24 178.53 1f5o h THR 126 N -0.15 1.03 0.10 0.35 2.02 -1.41 -2.87 112.91 111.98 1f5o h THR 126 Ca 0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1f5o h THR 126 Cb 0.15 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1f5o h THR 126 CO -0.03 0.07 -0.05 0.58 0.37 0.00 0.00 175.52 176.47 1f5o h VAL 127 N 0.39 0.84 -0.95 3.16 2.07 -1.19 -3.44 116.25 117.14 1f5o h VAL 127 Ca 0.13 -1.34 -0.31 0.00 0.82 0.00 0.00 66.70 66.00 1f5o h VAL 127 Cb 0.01 1.50 -0.22 0.00 -1.52 0.00 0.00 31.29 31.05 1f5o h VAL 127 CO -0.07 0.25 -0.67 0.00 0.02 0.00 0.00 177.57 177.10 1f5o n ALA 128 N -2.63 -0.26 -1.65 1.67 0.00 -0.20 -4.82 120.51 112.62 1f5o n ALA 128 Ca -0.07 -1.90 -0.48 0.00 0.00 0.00 0.00 53.44 50.99 1f5o n ALA 128 Cb 0.25 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1f5o n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f5o n ALA 129 N 2.09 0.66 0.00 0.00 0.00 -0.97 -1.80 120.51 120.50 1f5o n ALA 129 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1f5o n ALA 129 Cb 0.57 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1f5o n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f5o n GLY 130 N 3.13 2.78 3.67 0.00 0.00 -1.26 -5.01 105.19 108.49 1f5o n GLY 130 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1f5o n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f5o s ASP 131 N 0.37 6.54 0.17 1.61 2.15 -0.74 -4.86 116.67 121.91 1f5o s ASP 131 Ca 0.00 2.53 -0.05 0.00 0.43 0.00 0.00 52.55 55.45 1f5o s ASP 131 Cb 0.00 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1f5o s ASP 131 CO 0.00 -0.97 1.46 0.00 -0.17 0.00 0.00 175.17 175.50 1f5o h ALA 132 N 9.36 0.61 -0.25 3.66 0.00 -1.95 -2.74 119.26 127.95 1f5o h ALA 132 Ca -0.44 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 53.99 1f5o h ALA 132 Cb 1.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1f5o h ALA 132 CO 0.94 0.69 -0.08 0.78 0.00 0.00 0.00 179.25 181.58 1f5o h GLY 133 N 0.96 0.15 1.59 0.00 0.00 -1.93 0.76 103.07 104.60 1f5o h GLY 133 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1f5o h GLY 133 CO 0.11 -0.11 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 1f5o h PHE 134 N -0.03 0.53 0.00 5.60 3.57 -1.88 -1.23 116.94 123.50 1f5o h PHE 134 Ca 0.13 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1f5o h PHE 134 Cb 0.22 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1f5o h PHE 134 CO -0.27 0.54 -0.29 0.93 -2.23 0.00 0.00 178.31 176.99 1f5o h GLU 135 N 0.48 0.00 -0.23 1.11 5.08 -0.92 -1.55 114.58 118.54 1f5o h GLU 135 Ca 0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1f5o h GLU 135 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1f5o h GLU 135 CO 0.01 0.29 -0.59 -0.22 -1.00 0.00 0.00 179.01 177.51 1f5o h LYS 136 N 0.00 0.81 -0.44 2.33 3.64 0.27 -2.03 116.57 121.15 1f5o h LYS 136 Ca -0.00 -0.56 -0.08 0.00 -1.27 0.00 0.00 60.65 58.74 1f5o h LYS 136 Cb 0.58 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1f5o h LYS 136 CO 0.04 1.18 -0.04 1.25 -2.27 0.00 0.00 179.45 179.62 1f5o h LEU 137 N 0.57 0.72 -0.98 5.20 7.12 -0.91 -2.19 115.31 124.83 1f5o h LEU 137 Ca -0.01 -0.18 -0.10 0.00 0.13 0.00 0.00 57.88 57.72 1f5o h LEU 137 Cb 1.20 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1f5o h LEU 137 CO 0.13 0.81 -0.50 0.24 -0.13 0.00 0.00 178.44 178.99 1f5o h MET 138 N 0.69 0.00 -0.34 1.25 2.86 -1.18 -2.72 114.93 115.49 1f5o h MET 138 Ca 0.13 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 1f5o h MET 138 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1f5o h MET 138 CO 0.02 0.50 -0.14 0.77 1.06 0.00 0.00 176.91 179.12 1f5o h SER 139 N 0.00 0.71 -0.49 1.22 0.02 -0.83 -0.77 113.55 113.41 1f5o h SER 139 Ca -0.00 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1f5o h SER 139 Cb 0.90 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1f5o h SER 139 CO 0.06 0.95 0.28 0.24 -1.14 0.00 0.00 176.83 177.22 1f5o h MET 140 N 0.47 0.54 -0.70 3.45 2.07 -1.27 0.10 114.93 119.59 1f5o h MET 140 Ca 0.08 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.65 1f5o h MET 140 Cb 0.67 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1f5o h MET 140 CO 0.05 0.36 0.33 0.82 1.07 0.00 0.00 176.91 179.53 1f5o h ILE 141 N 0.55 1.23 -0.31 -1.22 2.04 -1.32 -1.34 117.51 117.15 1f5o h ILE 141 Ca 0.20 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.26 1f5o h ILE 141 Cb 0.05 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1f5o h ILE 141 CO -0.11 0.27 -0.39 0.00 0.00 0.00 0.00 178.15 177.92 1f5o h ILE 143 N 0.59 1.21 -0.17 0.00 2.04 -0.63 -2.25 117.51 118.31 1f5o h ILE 143 Ca 0.04 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 1f5o h ILE 143 Cb 0.99 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1f5o h ILE 143 CO 0.09 0.22 -0.57 -0.07 0.00 0.00 0.00 178.15 177.82 1f5o h LEU 144 N 1.06 0.59 -1.98 1.44 3.38 -1.16 -2.94 115.31 115.71 1f5o h LEU 144 Ca 0.28 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1f5o h LEU 144 Cb -0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1f5o h LEU 144 CO -0.06 1.04 0.00 -0.07 0.09 0.00 0.00 178.44 179.44 1f5o h LEU 145 N 0.40 0.00 -1.85 1.67 3.38 -0.62 -1.73 115.31 116.57 1f5o h LEU 145 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f5o h LEU 145 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1f5o h LEU 145 CO 0.11 0.00 -0.03 0.54 0.09 0.00 0.00 178.44 179.15 1f5o n ARG 146 N -2.94 2.17 0.28 1.13 1.74 -0.89 -4.50 116.66 113.65 1f5o n ARG 146 Ca -0.01 -1.83 0.15 0.00 -0.77 0.00 0.00 57.85 55.39 1f5o n ARG 146 Cb 0.19 -1.45 0.82 0.00 -1.02 0.00 0.00 32.46 31.00 1f5o n ARG 146 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1f5o h SER 147 N 4.43 0.00 1.02 0.55 4.64 -1.17 -2.59 113.55 120.44 1f5o h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f5o h SER 147 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1f5o h SER 147 CO 0.00 0.07 -0.63 0.00 -0.87 0.00 0.00 176.83 175.40 1f5o h ALA 148 N 1.93 0.62 0.00 5.18 0.00 -1.79 -3.50 119.26 121.69 1f5o h ALA 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f5o h ALA 148 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1f5o h ALA 148 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92