#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 4.75 0.13 0.52 1.01 -1.26 -4.94 121.20 121.40 1f5o s ILE 2 Ca 0.00 1.98 0.08 0.00 0.00 0.00 0.00 60.65 62.72 1f5o s ILE 2 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1f5o s ILE 2 CO 0.00 0.11 -0.14 0.68 0.00 0.00 0.00 174.94 175.59 1f5o s VAL 3 N 1.34 3.05 -0.13 2.92 -7.23 -1.26 -5.02 120.40 114.06 1f5o s VAL 3 Ca 0.52 -1.49 0.15 0.00 -1.81 0.00 0.00 61.98 59.35 1f5o s VAL 3 Cb -0.21 -2.43 0.30 0.00 0.56 0.00 0.00 36.38 34.59 1f5o s VAL 3 CO 0.25 0.05 1.15 -0.90 -0.31 0.00 0.00 175.10 175.34 1f5o n ASP 4 N 0.59 1.82 -4.07 4.85 5.75 -1.26 -4.37 116.55 119.86 1f5o n ASP 4 Ca -0.14 -3.11 -0.09 0.00 -0.01 0.00 0.00 54.79 51.44 1f5o n ASP 4 Cb 0.53 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.46 0.11 0.00 2.12 2.01 -1.26 -4.34 115.64 111.82 1f5o s THR 5 Ca 0.30 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1f5o s THR 5 Cb 0.28 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.93 1f5o s THR 5 CO -0.01 -0.52 0.00 0.61 -0.69 0.00 0.00 174.62 174.01 1f5o n GLY 6 N -0.09 1.72 3.14 4.40 0.00 -1.26 -4.87 105.19 108.23 1f5o n GLY 6 Ca -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 0.23 0.04 1.61 0.15 -1.26 -5.04 113.70 105.43 1f5o s SER 7 Ca 0.00 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.00 1f5o s SER 7 Cb 0.00 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1f5o s SER 7 CO 0.00 -0.61 -0.13 0.68 1.20 0.00 0.00 173.24 174.38 1f5o s VAL 8 N -3.41 1.01 0.69 4.45 -7.23 -1.26 -5.14 120.40 109.51 1f5o s VAL 8 Ca 0.02 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.02 1f5o s VAL 8 Cb 0.03 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 36.05 1f5o s VAL 8 CO -0.08 -0.06 1.26 0.00 -0.31 0.00 0.00 175.10 175.91 1f5o s ALA 9 N -0.92 2.24 1.01 1.32 0.00 -1.26 -4.96 121.76 119.18 1f5o s ALA 9 Ca -0.00 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1f5o s ALA 9 Cb -0.08 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.64 1f5o s ALA 9 CO 0.01 -1.76 0.64 -2.30 0.00 0.00 0.00 175.76 172.36 1f5o n PRO 10 N -2.28 -0.94 -3.13 0.00 -0.02 -1.26 -4.96 135.00 122.41 1f5o n PRO 10 Ca 0.15 -0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 61.01 1f5o n PRO 10 Cb 0.49 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.69 4.40 0.50 2.45 1.43 -1.26 -5.06 118.68 117.45 1f5o s LEU 11 Ca 0.61 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1f5o s LEU 11 Cb -0.21 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1f5o s LEU 11 CO 0.64 0.04 0.89 -0.94 0.23 0.00 0.00 176.35 177.21 1f5o s SER 12 N 0.05 6.40 0.47 2.29 1.04 -1.26 -4.89 113.70 117.80 1f5o s SER 12 Ca 0.34 1.25 0.16 0.00 0.48 0.00 0.00 55.95 58.18 1f5o s SER 12 Cb -0.18 -2.38 1.14 0.00 0.10 0.00 0.00 66.02 64.69 1f5o s SER 12 CO 0.18 -0.61 2.01 0.00 0.98 0.00 0.00 173.24 175.80 1f5o h ALA 13 N 0.52 2.12 -0.21 5.32 0.00 -1.99 -0.91 119.26 124.10 1f5o h ALA 13 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1f5o h ALA 13 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1f5o h ALA 13 CO 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1f5o h ALA 14 N 1.74 0.29 -0.62 0.00 0.00 -2.00 -2.61 119.26 116.06 1f5o h ALA 14 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1f5o h ALA 14 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1f5o h ALA 14 CO -0.05 0.02 0.15 0.93 0.00 0.00 0.00 179.25 180.30 1f5o h GLU 15 N 0.13 0.99 -0.95 0.00 5.08 -1.60 -2.62 114.58 115.60 1f5o h GLU 15 Ca 0.06 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1f5o h GLU 15 Cb 0.42 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1f5o h GLU 15 CO 0.01 0.90 0.63 0.87 -1.00 0.00 0.00 179.01 180.43 1f5o h LYS 16 N 0.91 1.25 -0.41 2.33 1.57 -1.19 -1.05 116.57 119.98 1f5o h LYS 16 Ca 0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1f5o h LYS 16 Cb 0.36 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1f5o h LYS 16 CO 0.00 0.83 0.16 1.15 -0.57 0.00 0.00 179.45 181.02 1f5o h THR 17 N 1.29 1.20 -0.30 -0.16 2.02 -1.20 -0.62 112.91 115.15 1f5o h THR 17 Ca 0.35 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1f5o h THR 17 Cb -0.15 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1f5o h THR 17 CO -0.08 0.23 0.10 0.11 0.37 0.00 0.00 175.52 176.25 1f5o h LYS 18 N 0.53 0.46 -0.07 6.66 1.57 -1.11 -2.19 116.57 122.42 1f5o h LYS 18 Ca 0.14 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1f5o h LYS 18 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1f5o h LYS 18 CO -0.01 0.51 -0.18 0.82 -0.57 0.00 0.00 179.45 180.02 1f5o h ILE 19 N 0.33 0.54 -0.88 1.86 2.04 -1.03 0.22 117.51 120.59 1f5o h ILE 19 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1f5o h ILE 19 Cb 0.24 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1f5o h ILE 19 CO -0.00 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.74 1f5o h ARG 20 N -0.26 0.78 0.25 2.37 3.08 -1.01 0.65 114.38 120.23 1f5o h ARG 20 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1f5o h ARG 20 Cb 0.37 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1f5o h ARG 20 CO -0.22 0.51 -0.12 0.77 -1.07 0.00 0.00 179.97 179.84 1f5o h SER 21 N 0.80 -0.28 -0.03 7.04 0.02 -0.62 -1.62 113.55 118.86 1f5o h SER 21 Ca 0.42 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1f5o h SER 21 Cb 0.52 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1f5o h SER 21 CO -0.19 0.10 -0.02 0.00 -1.14 0.00 0.00 176.83 175.59 1f5o h ALA 22 N -0.08 1.78 -0.00 3.77 0.00 -0.64 -3.12 119.26 120.96 1f5o h ALA 22 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1f5o h ALA 22 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f5o h ALA 22 CO 0.06 0.17 -0.02 2.35 0.00 0.00 0.00 179.25 181.80 1f5o h TRP 23 N 0.15 0.03 -0.76 0.00 2.91 -0.83 -3.36 115.95 114.08 1f5o h TRP 23 Ca 0.04 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.14 1f5o h TRP 23 Cb 0.13 -0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 28.67 1f5o h TRP 23 CO 0.00 0.74 -0.37 0.00 -1.03 0.00 0.00 178.44 177.78 1f5o n ALA 24 N -2.47 -0.29 -0.02 2.65 0.00 -0.62 -0.93 120.51 118.84 1f5o n ALA 24 Ca -0.09 0.71 -0.11 0.00 0.00 0.00 0.00 53.44 53.95 1f5o n ALA 24 Cb 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 0.18 -0.02 0.00 0.11 -1.73 -0.89 132.00 129.65 1f5o h PRO 25 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1f5o h PRO 25 Cb 0.39 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1f5o h PRO 25 CO -0.74 0.12 0.01 0.28 -0.21 0.00 0.00 178.00 177.46 1f5o h VAL 26 N 0.18 1.00 0.00 3.15 2.07 -1.17 -2.61 116.25 118.86 1f5o h VAL 26 Ca 0.05 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1f5o h VAL 26 Cb -0.02 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1f5o h VAL 26 CO -0.01 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.63 1f5o h TYR 27 N 0.02 0.00 -0.56 1.57 3.20 -1.07 -2.85 116.97 117.29 1f5o h TYR 27 Ca 0.01 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1f5o h TYR 27 Cb -0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1f5o h TYR 27 CO -0.08 0.18 0.39 1.03 -1.64 0.00 0.00 178.16 178.03 1f5o h SER 28 N 0.00 0.19 -1.34 -2.11 0.87 -0.75 -2.06 113.55 108.35 1f5o h SER 28 Ca -0.00 0.01 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 1f5o h SER 28 Cb 0.58 -0.03 -0.41 0.00 -0.44 0.00 0.00 62.40 62.10 1f5o h SER 28 CO 0.02 0.11 -1.01 0.35 -0.53 0.00 0.00 176.83 175.78 1f5o n THR 29 N -4.44 1.49 0.05 2.23 -2.24 -1.09 -4.94 114.28 105.34 1f5o n THR 29 Ca 0.10 -3.98 0.18 0.00 -2.27 0.00 0.00 64.05 58.08 1f5o n THR 29 Cb 0.48 -0.20 0.69 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.00 -0.09 4.78 -0.00 -1.21 -1.74 116.97 121.57 1f5o h TYR 30 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.77 1f5o h TYR 30 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.75 1f5o h TYR 30 CO 0.63 0.00 -0.08 0.93 -0.00 0.00 0.00 178.16 179.64 1f5o h GLU 31 N 0.00 0.13 0.01 0.10 4.39 -1.89 0.31 114.58 117.63 1f5o h GLU 31 Ca 0.21 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.62 1f5o h GLU 31 Cb 0.85 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 1f5o h GLU 31 CO -0.00 0.22 -1.44 2.41 -1.16 0.00 0.00 179.01 179.04 1f5o n THR 32 N -4.37 1.56 0.07 1.13 -1.04 -0.71 -3.62 114.28 107.29 1f5o n THR 32 Ca -0.01 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 1f5o n THR 32 Cb 0.20 -2.00 -0.05 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 -0.90 -0.79 -0.59 8.00 0.02 -1.35 -1.41 113.55 116.53 1f5o h SER 33 Ca -0.39 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1f5o h SER 33 Cb 1.40 0.32 -0.09 0.00 0.14 0.00 0.00 62.40 64.17 1f5o h SER 33 CO -0.20 -0.34 0.12 1.23 -1.14 0.00 0.00 176.83 176.50 1f5o h GLY 34 N -0.42 0.75 1.06 -3.77 0.00 -0.57 -0.11 103.07 100.01 1f5o h GLY 34 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1f5o h GLY 34 CO -0.22 -0.12 0.20 -2.08 0.00 0.00 0.00 176.54 174.32 1f5o h VAL 35 N 0.25 1.26 -0.29 4.60 2.07 -1.51 -0.82 116.25 121.80 1f5o h VAL 35 Ca 0.31 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1f5o h VAL 35 Cb 0.46 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1f5o h VAL 35 CO -0.40 0.37 0.04 0.44 0.02 0.00 0.00 177.57 178.04 1f5o h ASP 36 N 1.10 0.47 -0.50 0.57 3.32 -0.42 0.16 116.42 121.12 1f5o h ASP 36 Ca 0.23 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1f5o h ASP 36 Cb 0.35 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1f5o h ASP 36 CO -0.00 0.61 0.30 0.40 -1.72 0.00 0.00 179.24 178.84 1f5o h ILE 37 N 0.31 1.06 -0.24 0.35 2.04 -0.87 0.73 117.51 120.88 1f5o h ILE 37 Ca 0.09 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 1f5o h ILE 37 Cb 0.35 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1f5o h ILE 37 CO 0.01 0.11 -0.48 0.25 0.00 0.00 0.00 178.15 178.03 1f5o h LEU 38 N 0.61 0.84 -0.91 1.44 5.85 -1.02 -1.76 115.31 120.35 1f5o h LEU 38 Ca 0.20 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1f5o h LEU 38 Cb 0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1f5o h LEU 38 CO -0.09 1.23 0.13 0.58 -0.34 0.00 0.00 178.44 179.95 1f5o h VAL 39 N 0.49 1.24 0.03 1.05 2.07 -0.47 -0.49 116.25 120.17 1f5o h VAL 39 Ca 0.01 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1f5o h VAL 39 Cb 1.09 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1f5o h VAL 39 CO 0.11 0.34 -0.01 0.50 0.02 0.00 0.00 177.57 178.52 1f5o h LYS 40 N 0.89 -0.04 -0.39 1.57 3.64 -0.81 -1.67 116.57 119.76 1f5o h LYS 40 Ca 0.19 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1f5o h LYS 40 Cb 0.34 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1f5o h LYS 40 CO 0.00 0.22 0.21 0.35 -2.27 0.00 0.00 179.45 177.96 1f5o h PHE 41 N -0.29 0.38 -0.02 1.91 3.57 -1.13 -2.38 116.94 118.99 1f5o h PHE 41 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1f5o h PHE 41 Cb 0.27 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1f5o h PHE 41 CO 0.01 0.21 0.01 0.35 -2.23 0.00 0.00 178.31 176.66 1f5o h PHE 42 N 0.42 0.03 -0.47 0.41 3.04 -1.06 -2.25 116.94 117.07 1f5o h PHE 42 Ca 0.16 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1f5o h PHE 42 Cb 0.06 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1f5o h PHE 42 CO -0.09 0.15 -0.04 1.79 -2.02 0.00 0.00 178.31 178.10 1f5o h THR 43 N -0.10 1.25 -0.10 4.41 1.35 -1.28 -3.08 112.91 115.36 1f5o h THR 43 Ca 0.01 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1f5o h THR 43 Cb 0.13 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1f5o h THR 43 CO -0.00 0.37 0.00 -1.54 -0.25 0.00 0.00 175.52 174.10 1f5o n SER 44 N -4.20 1.77 -3.23 5.36 3.41 -0.90 -4.43 113.62 111.40 1f5o n SER 44 Ca 0.02 -1.65 -0.24 0.00 -0.26 0.00 0.00 58.87 56.74 1f5o n SER 44 Cb 0.32 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.39 0.38 -0.32 6.66 -1.04 -0.85 -4.98 114.28 114.52 1f5o n THR 45 Ca 0.17 -4.49 0.21 0.00 -2.04 0.00 0.00 64.05 57.90 1f5o n THR 45 Cb 0.37 -1.75 0.41 0.00 -1.82 0.00 0.00 70.33 67.55 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 3.86 0.21 -0.20 -2.82 0.11 -1.78 -1.02 132.00 130.36 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 31.87 1f5o h PRO 46 CO 0.58 0.14 0.15 0.00 -0.21 0.00 0.00 178.00 178.67 1f5o h ALA 47 N 1.86 2.10 -0.01 -0.75 0.00 -1.93 -1.79 119.26 118.74 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 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1f5o h ALA 47 CO -0.67 -0.25 -0.33 0.00 0.00 0.00 0.00 179.25 177.99 1f5o n ALA 48 N -2.53 3.23 0.03 0.00 0.00 -0.39 -4.31 120.51 116.54 1f5o n ALA 48 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.07 1f5o n ALA 48 Cb 0.29 -1.12 0.32 0.00 0.00 0.00 0.00 19.45 18.94 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 0.89 0.44 0.00 0.00 4.20 -1.37 -2.59 115.11 116.68 1f5o h GLN 49 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1f5o h GLN 49 Cb 0.51 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1f5o h GLN 49 CO 0.00 0.50 0.00 -0.85 -0.67 0.00 0.00 178.83 177.81 1f5o n GLU 50 N -4.28 0.06 -0.05 1.46 0.28 -1.26 -1.73 120.64 115.12 1f5o n GLU 50 Ca 0.01 0.49 0.12 0.00 -0.16 0.00 0.00 57.16 57.62 1f5o n GLU 50 Cb 0.25 -1.67 0.40 0.00 1.43 0.00 0.00 31.44 31.85 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 -1.80 0.13 -3.46 -1.84 3.01 -0.98 -4.34 117.46 108.19 1f5o n PHE 51 Ca 0.00 -0.07 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 1f5o n PHE 51 Cb 0.06 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 0.43 3.50 -0.27 1.38 3.01 -0.71 -4.93 117.46 119.86 1f5o n PHE 52 Ca 0.17 -4.03 0.08 0.00 1.01 0.00 0.00 57.45 54.69 1f5o n PHE 52 Cb 0.38 -0.66 0.23 0.00 -0.01 0.00 0.00 39.48 39.41 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 4.55 0.32 0.00 -1.08 0.11 -1.81 0.84 132.00 134.93 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 0.68 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1f5o h PRO 53 CO 0.87 0.21 0.00 1.63 -0.21 0.00 0.00 178.00 180.51 1f5o n LYS 54 N -5.10 0.12 -0.20 1.05 5.02 -1.26 -1.80 118.16 115.99 1f5o n LYS 54 Ca 0.17 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1f5o n LYS 54 Cb 0.52 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.25 0.52 -1.61 2.13 3.72 0.29 -4.93 117.46 116.33 1f5o n PHE 55 Ca 0.04 -0.34 -0.48 0.00 -0.05 0.00 0.00 57.45 56.62 1f5o n PHE 55 Cb 0.05 -0.01 -0.04 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 1.12 1.47 0.00 -1.08 5.02 -0.74 -1.33 118.16 122.61 1f5o n LYS 56 Ca 0.16 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1f5o n LYS 56 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 2.13 2.57 3.75 0.72 0.00 -1.26 -5.01 105.19 108.09 1f5o n GLY 57 Ca 0.14 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.45 0.32 0.99 2.01 -0.44 -4.88 118.68 121.12 1f5o s LEU 58 Ca 0.00 2.48 0.00 0.00 0.01 0.00 0.00 54.13 56.62 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 -0.44 0.00 0.35 1.01 0.00 0.00 176.35 177.27 1f5o n THR 59 N 1.59 0.00 -1.82 5.49 -2.24 -1.26 -5.03 114.28 111.01 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 0.43 -0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.98 2.17 0.37 4.28 -4.23 -1.26 -4.86 115.64 110.12 1f5o s THR 60 Ca 0.00 0.12 0.34 0.00 -1.18 0.00 0.00 61.69 60.97 1f5o s THR 60 Cb 0.00 -3.06 0.37 0.00 1.34 0.00 0.00 72.50 71.15 1f5o s THR 60 CO 0.00 -0.01 2.12 0.00 -0.54 0.00 0.00 174.62 176.19 1f5o h ALA 61 N 1.27 1.10 -0.16 3.99 0.00 -1.99 -2.56 119.26 120.91 1f5o h ALA 61 Ca -0.51 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1f5o h ALA 61 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1f5o h ALA 61 CO 0.56 0.06 -0.47 0.22 0.00 0.00 0.00 179.25 179.62 1f5o h ASP 62 N 0.00 0.70 -0.33 0.00 -0.00 -2.00 -2.50 116.42 112.29 1f5o h ASP 62 Ca -0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.03 56.44 1f5o h ASP 62 Cb 0.32 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 1f5o h ASP 62 CO 0.01 1.16 0.22 1.56 -0.00 0.00 0.00 179.24 182.19 1f5o h GLN 63 N 0.27 0.44 0.30 0.28 4.20 -1.83 -3.08 115.11 115.69 1f5o h GLN 63 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1f5o h GLN 63 Cb 1.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1f5o h GLN 63 CO 0.10 0.30 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.19 1f5o h LEU 64 N 0.45 -0.79 -1.30 1.46 3.38 -1.52 -1.81 115.31 115.17 1f5o h LEU 64 Ca 0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1f5o h LEU 64 Cb -0.05 0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1f5o h LEU 64 CO -0.03 -0.42 0.20 0.11 0.09 0.00 0.00 178.44 178.39 1f5o h LYS 65 N -0.63 0.00 0.00 1.13 1.57 -1.37 -0.67 116.57 116.60 1f5o h LYS 65 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1f5o h LYS 65 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1f5o h LYS 65 CO -0.05 0.00 -1.93 1.63 -0.57 0.00 0.00 179.45 178.52 1f5o n LYS 66 N -2.28 0.66 -2.19 3.15 5.02 -0.74 -4.91 118.16 116.87 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 0.23 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -4.74 6.85 0.39 4.39 0.15 -0.26 -4.91 113.70 115.57 1f5o s SER 67 Ca -0.07 2.37 0.20 0.00 0.70 0.00 0.00 55.95 59.15 1f5o s SER 67 Cb 0.13 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.56 1f5o s SER 67 CO 0.89 -0.60 1.75 0.00 1.20 0.00 0.00 173.24 176.48 1f5o h ALA 68 N 6.11 0.99 -0.43 5.45 0.00 -1.92 -2.63 119.26 126.84 1f5o h ALA 68 Ca -0.43 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 1f5o h ALA 68 Cb 1.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1f5o h ALA 68 CO 0.82 0.42 -0.00 -0.44 0.00 0.00 0.00 179.25 180.05 1f5o h ASP 69 N 0.00 0.74 -0.28 0.00 3.45 -1.93 -1.94 116.42 116.46 1f5o h ASP 69 Ca -0.00 -0.31 -0.04 0.00 0.43 0.00 0.00 57.03 57.11 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 0.87 0.03 0.58 -1.57 0.00 0.00 179.24 179.19 1f5o h VAL 70 N 0.60 1.24 -0.93 -1.35 2.07 -1.80 -2.19 116.25 113.88 1f5o h VAL 70 Ca 0.12 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1f5o h VAL 70 Cb 0.49 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1f5o h VAL 70 CO 0.02 0.27 0.54 0.03 0.02 0.00 0.00 177.57 178.45 1f5o h ARG 71 N 0.29 1.28 -0.24 1.57 3.08 -1.42 -1.19 114.38 117.75 1f5o h ARG 71 Ca 0.08 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1f5o h ARG 71 Cb 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1f5o h ARG 71 CO 0.01 0.91 -0.08 2.35 -1.07 0.00 0.00 179.97 182.09 1f5o h TRP 72 N 1.29 0.55 -0.84 3.04 -0.00 -1.28 -0.27 115.95 118.45 1f5o h TRP 72 Ca 0.33 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1f5o h TRP 72 Cb -0.02 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 28.97 1f5o h TRP 72 CO 0.01 0.73 0.43 1.25 -0.00 0.00 0.00 178.44 180.86 1f5o h HIS 73 N 0.22 1.19 -0.42 2.65 2.76 -1.24 -1.54 115.15 118.76 1f5o h HIS 73 Ca 0.06 -0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.04 1f5o h HIS 73 Cb 0.57 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1f5o h HIS 73 CO 0.06 0.84 -0.29 0.00 -1.30 0.00 0.00 177.93 177.24 1f5o h ALA 74 N 1.23 0.60 -0.33 5.26 0.00 -1.11 -2.03 119.26 122.89 1f5o h ALA 74 Ca 0.29 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1f5o h ALA 74 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1f5o h ALA 74 CO -0.04 0.64 -0.06 0.93 0.00 0.00 0.00 179.25 180.72 1f5o h GLU 75 N 0.77 0.53 -0.09 0.00 5.08 -0.75 -0.86 114.58 119.26 1f5o h GLU 75 Ca 0.08 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1f5o h GLU 75 Cb 0.87 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1f5o h GLU 75 CO 0.08 0.60 -0.22 0.00 -1.00 0.00 0.00 179.01 178.48 1f5o h ARG 76 N 0.50 0.30 0.09 2.33 3.08 -1.17 -2.41 114.38 117.10 1f5o h ARG 76 Ca 0.10 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1f5o h ARG 76 Cb 0.42 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1f5o h ARG 76 CO 0.02 0.81 -0.04 0.82 -1.07 0.00 0.00 179.97 180.51 1f5o h ILE 77 N -0.16 0.91 -0.09 2.04 2.04 -1.26 -1.82 117.51 119.17 1f5o h ILE 77 Ca -0.00 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1f5o h ILE 77 Cb 0.82 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1f5o h ILE 77 CO 0.05 0.00 0.04 -0.29 0.00 0.00 0.00 178.15 177.95 1f5o h ILE 78 N -0.12 1.04 0.00 -0.67 -0.00 -1.22 -1.66 117.51 114.87 1f5o h ILE 78 Ca -0.01 -0.11 -0.05 0.00 -0.00 0.00 0.00 64.86 64.69 1f5o h ILE 78 Cb 0.09 0.92 -0.01 0.00 -0.00 0.00 0.00 36.82 37.82 1f5o h ILE 78 CO 0.02 0.04 -0.26 0.78 -0.00 0.00 0.00 178.15 178.73 1f5o h ASN 79 N 0.13 0.00 -0.19 2.19 2.35 -1.09 -2.61 115.58 116.35 1f5o h ASN 79 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1f5o h ASN 79 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1f5o h ASN 79 CO -0.00 0.22 -0.17 0.00 -1.65 0.00 0.00 177.43 175.83 1f5o h ALA 80 N 1.78 0.28 -0.70 -0.83 0.00 -0.46 -0.94 119.26 118.39 1f5o h ALA 80 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1f5o h ALA 80 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1f5o h ALA 80 CO 0.03 0.18 0.44 0.28 0.00 0.00 0.00 179.25 180.17 1f5o h VAL 81 N 0.12 1.19 -1.00 0.00 2.07 -1.47 -1.88 116.25 115.28 1f5o h VAL 81 Ca 0.03 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1f5o h VAL 81 Cb 0.70 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1f5o h VAL 81 CO 0.04 0.19 0.65 -1.13 0.02 0.00 0.00 177.57 177.35 1f5o h ASN 82 N 0.95 1.07 -0.87 0.57 -1.24 -1.23 0.58 115.58 115.40 1f5o h ASN 82 Ca 0.25 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 1f5o h ASN 82 Cb -0.06 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 1f5o h ASN 82 CO -0.05 0.71 0.49 0.44 -1.29 0.00 0.00 177.43 177.73 1f5o h ASP 83 N 1.23 1.09 -0.28 1.15 3.45 -0.43 0.76 116.42 123.38 1f5o h ASP 83 Ca 0.41 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 1f5o h ASP 83 Cb 0.07 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1f5o h ASP 83 CO -0.14 0.87 0.10 0.00 -1.57 0.00 0.00 179.24 178.50 1f5o h ALA 84 N 1.26 0.37 -0.95 3.45 0.00 -0.39 -2.18 119.26 120.83 1f5o h ALA 84 Ca 0.31 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1f5o h ALA 84 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1f5o h ALA 84 CO -0.05 -0.02 0.63 0.28 0.00 0.00 0.00 179.25 180.09 1f5o h VAL 85 N 0.30 1.22 0.00 0.00 2.07 -0.36 -0.40 116.25 119.08 1f5o h VAL 85 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1f5o h VAL 85 Cb 0.21 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1f5o h VAL 85 CO -0.01 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1f5o n ALA 86 N -2.39 1.83 -0.26 1.67 0.00 0.21 -3.25 120.51 118.32 1f5o n ALA 86 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1f5o n ALA 86 Cb 0.04 -1.30 0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.56 2.75 0.28 0.00 7.64 -0.18 -4.68 113.62 117.87 1f5o n SER 87 Ca 0.04 -2.16 0.17 0.00 1.01 0.00 0.00 58.87 57.93 1f5o n SER 87 Cb 0.22 -0.21 0.85 0.00 -1.01 0.00 0.00 64.21 64.05 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 1.35 0.00 -0.01 1.43 2.86 -1.47 0.27 114.93 119.36 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 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1f5o h MET 88 CO 0.02 0.00 -0.38 -0.25 1.06 0.00 0.00 176.91 177.36 1f5o n ASP 89 N -3.13 0.97 -3.36 1.22 10.43 -1.26 -4.31 116.55 117.12 1f5o n ASP 89 Ca -0.00 -0.78 -0.26 0.00 2.57 0.00 0.00 54.79 56.32 1f5o n ASP 89 Cb 0.39 0.24 -0.08 0.00 1.84 0.00 0.00 41.12 43.51 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 -0.86 0.96 0.34 -2.24 4.64 0.94 -4.95 116.55 115.38 1f5o n ASP 90 Ca 0.10 -2.80 0.21 0.00 -1.38 0.00 0.00 54.79 50.92 1f5o n ASP 90 Cb 0.35 -0.63 1.13 0.00 -1.04 0.00 0.00 41.12 40.93 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 3.14 0.00 -0.07 5.18 1.03 -1.74 -1.55 112.91 118.90 1f5o h THR 91 Ca 0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.36 1f5o h THR 91 Cb 0.83 0.92 0.01 0.00 -1.07 0.00 0.00 68.15 68.85 1f5o h THR 91 CO 0.53 0.00 -0.73 -0.08 -0.01 0.00 0.00 175.52 175.23 1f5o h GLU 92 N 0.00 0.62 -0.41 0.00 4.81 -1.92 -2.50 114.58 115.18 1f5o h GLU 92 Ca 0.00 -0.57 -0.15 0.00 -0.13 0.00 0.00 59.36 58.51 1f5o h GLU 92 Cb 0.15 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1f5o h GLU 92 CO 0.00 1.19 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.93 1f5o h LYS 93 N 0.26 0.94 -0.98 1.92 3.64 -1.66 -2.72 116.57 117.98 1f5o h LYS 93 Ca -0.07 -0.46 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1f5o h LYS 93 Cb 1.39 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.14 1f5o h LYS 93 CO 0.15 1.12 0.62 1.98 -2.27 0.00 0.00 179.45 181.06 1f5o h MET 94 N 0.77 1.09 0.13 1.90 4.05 -1.41 -2.66 114.93 118.80 1f5o h MET 94 Ca 0.08 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1f5o h MET 94 Cb 0.91 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1f5o h MET 94 CO 0.08 0.72 -0.06 0.77 0.23 0.00 0.00 176.91 178.65 1f5o h SER 95 N 1.12 -0.15 -0.31 1.39 0.02 -1.30 -2.63 113.55 111.68 1f5o h SER 95 Ca 0.43 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1f5o h SER 95 Cb 0.19 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.69 1f5o h SER 95 CO -0.18 0.19 -0.25 0.24 -1.14 0.00 0.00 176.83 175.69 1f5o h MET 96 N -0.51 -0.22 -0.51 3.45 2.07 -1.29 0.15 114.93 118.07 1f5o h MET 96 Ca -0.02 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.65 1f5o h MET 96 Cb 0.41 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 1f5o h MET 96 CO 0.03 -0.15 0.31 -0.22 1.07 0.00 0.00 176.91 177.95 1f5o h LYS 97 N -0.23 0.59 -0.34 1.72 3.64 -1.54 -2.09 116.57 118.32 1f5o h LYS 97 Ca 0.16 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1f5o h LYS 97 Cb 0.48 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1f5o h LYS 97 CO -0.44 0.39 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.65 1f5o h LEU 98 N 0.61 0.96 -1.01 5.20 3.38 -1.03 -2.34 115.31 121.08 1f5o h LEU 98 Ca 0.20 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1f5o h LEU 98 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1f5o h LEU 98 CO -0.09 1.25 0.54 0.03 0.09 0.00 0.00 178.44 180.26 1f5o h ARG 99 N 0.69 1.22 -0.21 1.13 3.08 -0.59 0.52 114.38 120.21 1f5o h ARG 99 Ca 0.05 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1f5o h ARG 99 Cb 1.01 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1f5o h ARG 99 CO 0.10 0.85 0.13 0.22 -1.07 0.00 0.00 179.97 180.20 1f5o h ASP 100 N 1.24 0.21 -0.34 7.04 3.58 -1.27 -1.35 116.42 125.53 1f5o h ASP 100 Ca 0.32 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 1f5o h ASP 100 Cb -0.05 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1f5o h ASP 100 CO -0.06 0.16 0.14 0.25 -2.88 0.00 0.00 179.24 176.85 1f5o h LEU 101 N 0.26 0.51 -0.16 2.28 5.85 -0.68 -2.12 115.31 121.26 1f5o h LEU 101 Ca 0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1f5o h LEU 101 Cb -0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1f5o h LEU 101 CO -0.03 0.48 0.09 -1.28 -0.34 0.00 0.00 178.44 177.35 1f5o h SER 102 N 0.56 0.20 -0.84 1.25 0.87 0.87 -2.30 113.55 114.16 1f5o h SER 102 Ca 0.14 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1f5o h SER 102 Cb 0.14 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 1f5o h SER 102 CO -0.01 0.22 0.51 1.23 -0.53 0.00 0.00 176.83 178.25 1f5o h GLY 103 N 0.15 1.29 1.01 5.77 0.00 -0.62 -1.58 103.07 109.10 1f5o h GLY 103 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1f5o h GLY 103 CO -0.01 0.21 0.34 0.50 0.00 0.00 0.00 176.54 177.58 1f5o h LYS 104 N 0.90 1.02 -0.62 4.80 1.57 -1.19 0.18 116.57 123.23 1f5o h LYS 104 Ca 0.38 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1f5o h LYS 104 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1f5o h LYS 104 CO -0.20 0.80 0.09 0.45 -0.57 0.00 0.00 179.45 180.01 1f5o h HIS 105 N 0.99 1.07 0.17 -1.35 3.86 -0.81 -0.97 115.15 118.11 1f5o h HIS 105 Ca 0.24 -0.14 -0.23 0.00 -1.16 0.00 0.00 60.37 59.08 1f5o h HIS 105 Cb 0.12 -0.30 0.03 0.00 1.06 0.00 0.00 27.41 28.32 1f5o h HIS 105 CO 0.01 0.91 -1.02 0.00 0.86 0.00 0.00 177.93 178.69 1f5o h ALA 106 N 1.14 -0.10 0.00 2.45 0.00 -0.99 0.56 119.26 122.32 1f5o h ALA 106 Ca 0.19 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1f5o h ALA 106 Cb 0.43 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1f5o h ALA 106 CO 0.01 0.48 -1.27 0.87 0.00 0.00 0.00 179.25 179.34 1f5o h LYS 107 N -0.18 0.00 0.00 0.00 1.57 -0.70 -3.37 116.57 113.90 1f5o h LYS 107 Ca -0.17 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1f5o h LYS 107 Cb 1.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1f5o h LYS 107 CO 0.19 0.43 -0.75 0.43 -0.57 0.00 0.00 179.45 179.18 1f5o n SER 108 N -3.02 1.06 0.22 0.86 7.64 -0.45 -4.72 113.62 115.22 1f5o n SER 108 Ca -0.08 0.16 0.11 0.00 1.01 0.00 0.00 58.87 60.07 1f5o n SER 108 Cb 0.87 -0.38 0.44 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.30 0.00 -6.21 1.43 0.05 -1.43 -3.48 116.94 107.01 1f5o h PHE 109 Ca -0.08 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 61.27 1f5o h PHE 109 Cb 0.64 0.00 0.04 0.00 2.00 0.00 0.00 35.95 38.63 1f5o h PHE 109 CO -0.09 0.20 -0.88 1.04 -0.18 0.00 0.00 178.31 178.40 1f5o n GLN 110 N -3.32 -3.25 -3.72 1.51 6.02 0.14 -4.96 117.38 109.81 1f5o n GLN 110 Ca 0.01 0.52 -0.35 0.00 -0.01 0.00 0.00 57.00 57.17 1f5o n GLN 110 Cb 0.44 -4.72 -0.05 0.00 1.02 0.00 0.00 30.24 26.92 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 -3.68 5.26 0.05 5.09 -7.23 -0.90 -5.03 120.40 113.97 1f5o s VAL 111 Ca 0.16 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 1f5o s VAL 111 Cb -0.05 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 1f5o s VAL 111 CO 0.84 0.42 1.82 -0.62 -0.31 0.00 0.00 175.10 177.25 1f5o s ASP 112 N -1.53 6.50 0.25 4.85 -1.08 -1.26 -4.79 116.67 119.61 1f5o s ASP 112 Ca 0.26 2.59 0.19 0.00 -0.52 0.00 0.00 52.55 55.07 1f5o s ASP 112 Cb -0.14 -2.55 0.95 0.00 -1.46 0.00 0.00 42.92 39.73 1f5o s ASP 112 CO 0.14 -0.99 1.58 -0.81 0.52 0.00 0.00 175.17 175.61 1f5o n PRO 113 N 6.57 0.13 0.23 4.34 -0.04 -1.26 -3.26 135.00 141.71 1f5o n PRO 113 Ca 0.18 0.56 0.10 0.00 -0.04 0.00 0.00 63.50 64.30 1f5o n PRO 113 Cb 0.40 -1.86 0.54 0.00 -0.04 0.00 0.00 33.50 32.54 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 -3.20 115.11 113.50 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1f5o h GLN 114 CO 0.00 0.21 -0.04 0.66 0.09 0.00 0.00 178.83 179.74 1f5o n TYR 115 N -3.49 0.92 -0.21 0.06 4.02 -1.20 -3.94 117.16 113.32 1f5o n TYR 115 Ca -0.01 0.27 0.01 0.00 -0.01 0.00 0.00 57.90 58.16 1f5o n TYR 115 Cb 0.37 -0.93 0.09 0.00 -0.02 0.00 0.00 39.34 38.86 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 -0.15 0.00 -0.72 0.05 -1.80 0.16 116.94 114.49 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 0.74 0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.84 1f5o h PHE 116 CO 0.00 -0.22 -0.50 1.57 -0.18 0.00 0.00 178.31 178.98 1f5o h LYS 117 N 0.07 0.00 -0.13 1.51 2.10 -1.83 -0.75 116.57 117.53 1f5o h LYS 117 Ca 0.33 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.97 1f5o h LYS 117 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1f5o h LYS 117 CO -0.59 0.50 0.04 0.28 -2.00 0.00 0.00 179.45 177.69 1f5o h VAL 118 N 0.00 1.18 -0.35 0.07 2.07 -1.19 -1.29 116.25 116.74 1f5o h VAL 118 Ca -0.01 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1f5o h VAL 118 Cb 0.94 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1f5o h VAL 118 CO 0.07 0.16 -0.31 0.25 0.02 0.00 0.00 177.57 177.76 1f5o h LEU 119 N 0.03 0.77 -1.31 2.57 5.85 -1.19 -2.78 115.31 119.26 1f5o h LEU 119 Ca 0.04 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1f5o h LEU 119 Cb 0.22 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1f5o h LEU 119 CO -0.00 1.02 0.51 0.00 -0.34 0.00 0.00 178.44 179.63 1f5o h ALA 120 N 1.02 1.64 -0.51 1.25 0.00 -0.93 -1.70 119.26 120.03 1f5o h ALA 120 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1f5o h ALA 120 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1f5o h ALA 120 CO 0.07 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.77 1f5o h ALA 121 N 1.58 0.66 -0.85 0.00 0.00 -0.95 -0.39 119.26 119.30 1f5o h ALA 121 Ca 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1f5o h ALA 121 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1f5o h ALA 121 CO -0.11 0.28 0.42 0.28 0.00 0.00 0.00 179.25 180.12 1f5o h VAL 122 N 0.69 1.26 -0.45 0.00 2.07 -1.23 0.47 116.25 119.05 1f5o h VAL 122 Ca 0.17 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1f5o h VAL 122 Cb 0.20 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1f5o h VAL 122 CO -0.01 0.30 -0.01 0.40 0.02 0.00 0.00 177.57 178.27 1f5o h ILE 123 N 1.20 1.24 -0.30 4.57 2.04 -1.00 -2.36 117.51 122.90 1f5o h ILE 123 Ca 0.29 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1f5o h ILE 123 Cb 0.09 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1f5o h ILE 123 CO -0.04 0.35 -0.07 0.00 0.00 0.00 0.00 178.15 178.39 1f5o h ALA 124 N 1.29 0.41 -0.00 1.87 0.00 -0.05 -1.64 119.26 121.14 1f5o h ALA 124 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1f5o h ALA 124 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1f5o h ALA 124 CO 0.02 0.24 -0.02 -0.44 0.00 0.00 0.00 179.25 179.04 1f5o h ASP 125 N 0.35 -0.06 -0.47 0.00 3.45 -0.79 -0.82 116.42 118.07 1f5o h ASP 125 Ca 0.08 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1f5o h ASP 125 Cb 0.55 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1f5o h ASP 125 CO 0.03 -0.03 0.31 0.74 -1.57 0.00 0.00 179.24 178.71 1f5o h THR 126 N -0.04 1.13 0.05 0.35 2.02 -1.42 -2.87 112.91 112.14 1f5o h THR 126 Ca 0.01 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1f5o h THR 126 Cb 0.05 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1f5o h THR 126 CO -0.02 0.13 -0.03 0.58 0.37 0.00 0.00 175.52 176.55 1f5o h VAL 127 N 0.64 1.02 -0.81 3.16 2.07 -1.21 -3.44 116.25 117.68 1f5o h VAL 127 Ca 0.17 -1.57 -0.31 0.00 0.82 0.00 0.00 66.70 65.81 1f5o h VAL 127 Cb -0.06 1.85 -0.22 0.00 -1.52 0.00 0.00 31.29 31.34 1f5o h VAL 127 CO -0.04 0.32 -0.67 0.00 0.02 0.00 0.00 177.57 177.20 1f5o n ALA 128 N -2.63 -0.29 -1.63 1.67 0.00 -0.35 -4.82 120.51 112.46 1f5o n ALA 128 Ca -0.07 -1.92 -0.49 0.00 0.00 0.00 0.00 53.44 50.96 1f5o n ALA 128 Cb 0.28 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 1.91 0.28 0.00 0.00 0.00 -0.98 -1.79 120.51 119.93 1f5o n ALA 129 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1f5o n ALA 129 Cb 0.58 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.94 2.85 3.67 0.00 0.00 -1.26 -5.01 105.19 108.38 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 0.19 6.61 0.17 1.61 2.15 -0.74 -4.87 116.67 121.80 1f5o s ASP 131 Ca 0.00 2.39 -0.06 0.00 0.43 0.00 0.00 52.55 55.32 1f5o s ASP 131 Cb 0.00 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.13 1f5o s ASP 131 CO 0.00 -0.93 1.48 0.00 -0.17 0.00 0.00 175.17 175.56 1f5o h ALA 132 N 9.21 0.64 -0.34 3.66 0.00 -1.95 -2.65 119.26 127.83 1f5o h ALA 132 Ca -0.42 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.03 1f5o h ALA 132 Cb 1.20 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1f5o h ALA 132 CO 0.94 0.68 0.05 0.78 0.00 0.00 0.00 179.25 181.71 1f5o h GLY 133 N 0.95 0.38 1.60 0.00 0.00 -1.94 0.12 103.07 104.19 1f5o h GLY 133 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1f5o h GLY 133 CO 0.11 -0.03 -0.12 -2.75 0.00 0.00 0.00 176.54 173.74 1f5o h PHE 134 N 0.16 0.52 0.00 5.60 3.57 -1.88 -1.52 116.94 123.39 1f5o h PHE 134 Ca 0.16 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1f5o h PHE 134 Cb 0.19 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1f5o h PHE 134 CO -0.19 0.60 -0.31 0.93 -2.23 0.00 0.00 178.31 177.10 1f5o h GLU 135 N 0.45 0.00 -0.28 1.11 5.08 -0.84 -1.54 114.58 118.56 1f5o h GLU 135 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1f5o h GLU 135 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f5o h GLU 135 CO 0.03 0.31 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.70 1f5o h LYS 136 N 0.00 0.78 -0.58 2.33 3.64 0.18 -1.87 116.57 121.05 1f5o h LYS 136 Ca -0.00 -0.47 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1f5o h LYS 136 Cb 0.59 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1f5o h LYS 136 CO 0.04 1.10 0.12 1.25 -2.27 0.00 0.00 179.45 179.69 1f5o h LEU 137 N 0.54 0.85 -0.97 5.20 7.12 -0.89 -2.06 115.31 125.09 1f5o h LEU 137 Ca 0.03 -0.17 -0.11 0.00 0.13 0.00 0.00 57.88 57.76 1f5o h LEU 137 Cb 1.02 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1f5o h LEU 137 CO 0.10 0.84 -0.46 0.24 -0.13 0.00 0.00 178.44 179.03 1f5o h MET 138 N 0.86 0.11 -0.38 1.25 2.86 -1.18 -2.75 114.93 115.71 1f5o h MET 138 Ca 0.18 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1f5o h MET 138 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1f5o h MET 138 CO 0.00 0.56 -0.09 0.77 1.06 0.00 0.00 176.91 179.21 1f5o h SER 139 N 0.09 0.74 -0.51 1.22 0.02 -0.72 -0.74 113.55 113.65 1f5o h SER 139 Ca 0.00 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1f5o h SER 139 Cb 0.85 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1f5o h SER 139 CO 0.07 0.93 0.28 0.24 -1.14 0.00 0.00 176.83 177.20 1f5o h MET 140 N 0.54 0.54 -0.62 3.45 2.07 -1.27 0.11 114.93 119.75 1f5o h MET 140 Ca 0.10 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.67 1f5o h MET 140 Cb 0.60 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.18 1f5o h MET 140 CO 0.04 0.36 0.29 0.82 1.07 0.00 0.00 176.91 179.48 1f5o h ILE 141 N 0.56 1.22 -0.30 -1.22 2.04 -1.27 -1.54 117.51 116.99 1f5o h ILE 141 Ca 0.21 -0.62 -0.16 0.00 1.00 0.00 0.00 64.86 65.29 1f5o h ILE 141 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1f5o h ILE 141 CO -0.12 0.25 -0.46 0.00 0.00 0.00 0.00 178.15 177.83 1f5o h ILE 143 N 0.64 1.23 -0.17 0.00 2.04 -0.64 -2.46 117.51 118.15 1f5o h ILE 143 Ca 0.04 -0.66 -0.17 0.00 1.00 0.00 0.00 64.86 65.07 1f5o h ILE 143 Cb 1.03 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1f5o h ILE 143 CO 0.10 0.27 -0.60 -0.07 0.00 0.00 0.00 178.15 177.86 1f5o h LEU 144 N 0.99 0.62 -2.05 1.44 3.38 -1.15 -2.93 115.31 115.60 1f5o h LEU 144 Ca 0.24 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1f5o h LEU 144 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1f5o h LEU 144 CO -0.03 1.08 0.00 -0.07 0.09 0.00 0.00 178.44 179.51 1f5o h LEU 145 N 0.41 0.00 -1.79 1.67 3.38 -0.68 -1.84 115.31 116.47 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 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1f5o h LEU 145 CO 0.11 0.00 -0.06 0.54 0.09 0.00 0.00 178.44 179.12 1f5o n ARG 146 N -2.94 2.12 0.28 1.13 1.74 -0.95 -4.52 116.66 113.51 1f5o n ARG 146 Ca -0.01 -1.78 0.15 0.00 -0.77 0.00 0.00 57.85 55.44 1f5o n ARG 146 Cb 0.18 -1.45 0.84 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 4.31 0.00 0.89 0.55 4.64 -1.19 -2.34 113.55 120.41 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 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1f5o h SER 147 CO 0.00 0.06 -0.62 0.00 -0.87 0.00 0.00 176.83 175.40 1f5o h ALA 148 N 1.94 0.59 0.00 5.18 0.00 -1.79 -3.50 119.26 121.67 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f5o h ALA 148 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92