#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvs s GLN 2 N 0.00 2.71 -0.14 0.54 0.74 -1.26 -5.10 119.66 117.15 1hvs s GLN 2 Ca 0.00 -0.73 -0.05 0.00 0.05 0.00 0.00 55.36 54.63 1hvs s GLN 2 Cb 0.00 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 1hvs s GLN 2 CO 0.00 -0.08 0.02 0.42 -0.55 0.00 0.00 175.29 175.11 1hvs s ILE 3 N 1.00 4.47 0.51 -2.34 1.09 -1.26 -5.09 121.20 119.58 1hvs s ILE 3 Ca -0.04 -0.17 0.02 0.00 -1.10 0.00 0.00 60.65 59.37 1hvs s ILE 3 Cb -0.15 -2.95 0.03 0.00 -1.06 0.00 0.00 42.46 38.33 1hvs s ILE 3 CO -0.04 0.53 0.72 0.42 -0.10 0.00 0.00 174.94 176.47 1hvs s THR 4 N -0.17 2.87 -0.26 2.92 -4.23 -1.26 -5.02 115.64 110.49 1hvs s THR 4 Ca 0.06 -0.71 0.11 0.00 -1.18 0.00 0.00 61.69 59.96 1hvs s THR 4 Cb -0.12 -3.05 0.50 0.00 1.34 0.00 0.00 72.50 71.16 1hvs s THR 4 CO 0.02 -0.03 1.43 0.18 -0.54 0.00 0.00 174.62 175.68 1hvs n LEU 5 N -2.22 3.94 -0.07 4.79 4.77 -1.26 -4.53 117.00 122.42 1hvs n LEU 5 Ca 0.07 -3.61 -0.15 0.00 -0.03 0.00 0.00 56.01 52.29 1hvs n LEU 5 Cb 0.59 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1hvs n LEU 5 CO 0.44 1.13 0.42 -0.50 -1.33 0.00 0.00 177.39 177.55 1hvs h TRP 6 N 1.09 1.06 -1.33 -1.77 4.06 -2.05 -3.44 115.95 113.57 1hvs h TRP 6 Ca 0.16 -0.39 -0.49 0.00 2.06 0.00 0.00 58.89 60.24 1hvs h TRP 6 Cb 1.56 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 1hvs h TRP 6 CO 0.87 1.21 -0.32 -0.65 -3.56 0.00 0.00 178.44 176.00 1hvs s GLN 7 N -4.07 2.55 0.26 0.49 1.11 -1.26 -5.07 119.66 113.67 1hvs s GLN 7 Ca -0.11 -1.53 -0.29 0.00 0.01 0.00 0.00 55.36 53.43 1hvs s GLN 7 Cb 0.09 -2.46 -0.09 0.00 -1.01 0.00 0.00 33.01 29.54 1hvs s GLN 7 CO 0.88 -0.32 1.27 1.03 0.01 0.00 0.00 175.29 178.16 1hvs s ARG 8 N -4.25 4.42 -1.25 2.91 0.52 -1.26 -4.89 118.95 115.16 1hvs s ARG 8 Ca 0.50 2.07 -0.19 0.00 -0.52 0.00 0.00 55.73 57.58 1hvs s ARG 8 Cb -0.05 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1hvs s ARG 8 CO 0.29 -0.14 1.89 -0.35 0.02 0.00 0.00 175.30 177.01 1hvs n PRO 9 N 1.70 2.59 -3.38 3.54 -0.04 -1.26 -4.94 135.00 133.21 1hvs n PRO 9 Ca 0.03 -2.83 -0.38 0.00 -0.04 0.00 0.00 63.50 60.27 1hvs n PRO 9 Cb 0.43 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 1hvs n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvs s LEU 10 N 5.26 4.38 0.28 1.53 1.43 -1.26 -0.55 118.68 129.76 1hvs s LEU 10 Ca 0.57 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1hvs s LEU 10 Cb 0.06 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 1hvs s LEU 10 CO 0.07 0.16 0.07 0.68 0.23 0.00 0.00 176.35 177.56 1hvs s VAL 11 N -0.25 0.82 -0.02 -1.59 -7.23 -0.01 -4.91 120.40 107.20 1hvs s VAL 11 Ca 0.25 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1hvs s VAL 11 Cb -0.16 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1hvs s VAL 11 CO 0.13 -0.03 0.35 -0.89 -0.31 0.00 0.00 175.10 174.34 1hvs s THR 12 N -3.57 5.13 0.07 5.32 2.01 -1.26 -1.07 115.64 122.28 1hvs s THR 12 Ca 0.36 0.68 0.07 0.00 0.31 0.00 0.00 61.69 63.12 1hvs s THR 12 Cb 0.08 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1hvs s THR 12 CO 0.14 0.57 -0.20 0.27 -0.69 0.00 0.00 174.62 174.71 1hvs s ILE 13 N -1.09 1.60 -0.27 1.82 -4.36 0.82 -3.71 121.20 116.02 1hvs s ILE 13 Ca 0.22 -1.33 -0.09 0.00 -0.26 0.00 0.00 60.65 59.20 1hvs s ILE 13 Cb -0.16 -1.43 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 1hvs s ILE 13 CO 0.12 0.05 0.12 -0.54 0.24 0.00 0.00 174.94 174.92 1hvs s LYS 14 N -1.52 3.71 -0.02 0.37 3.01 -0.69 -0.01 119.74 124.60 1hvs s LYS 14 Ca 0.06 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.56 1hvs s LYS 14 Cb -0.09 -3.46 0.02 0.00 -1.01 0.00 0.00 37.83 33.29 1hvs s LYS 14 CO 0.03 -0.21 0.01 -1.50 0.51 0.00 0.00 175.35 174.19 1hvs s ILE 15 N 1.66 0.04 -2.07 2.17 2.07 0.94 -2.18 121.20 123.83 1hvs s ILE 15 Ca 0.06 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1hvs s ILE 15 Cb -0.16 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.30 1hvs s ILE 15 CO 0.06 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 1hvs n GLY 16 N 3.95 1.38 0.00 1.50 0.00 -1.26 -2.38 105.19 108.38 1hvs n GLY 16 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1hvs n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvs n GLY 17 N -0.52 3.23 3.61 -0.02 0.00 -1.26 -5.06 105.19 105.17 1hvs n GLY 17 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1hvs n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hvs s GLN 18 N -0.71 2.18 0.07 1.61 -2.07 -1.00 -5.07 119.66 114.67 1hvs s GLN 18 Ca 0.00 -1.49 -0.07 0.00 -1.82 0.00 0.00 55.36 51.98 1hvs s GLN 18 Cb 0.00 -2.09 -0.05 0.00 -1.09 0.00 0.00 33.01 29.78 1hvs s GLN 18 CO 0.00 0.35 0.34 -0.51 -1.32 0.00 0.00 175.29 174.14 1hvs s LEU 19 N -3.65 4.33 0.16 2.60 1.02 -1.26 -0.04 118.68 121.84 1hvs s LEU 19 Ca 0.31 0.62 -0.04 0.00 0.02 0.00 0.00 54.13 55.04 1hvs s LEU 19 Cb -0.06 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 1hvs s LEU 19 CO 0.19 0.16 0.15 -0.54 0.02 0.00 0.00 176.35 176.33 1hvs s LYS 20 N -2.12 1.06 0.20 1.70 1.02 0.98 -4.95 119.74 117.63 1hvs s LYS 20 Ca 0.34 -1.39 0.05 0.00 0.02 0.00 0.00 55.97 54.99 1hvs s LYS 20 Cb -0.13 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1hvs s LYS 20 CO 0.20 -0.34 0.22 -1.83 -0.92 0.00 0.00 175.35 172.68 1hvs s GLU 21 N -4.04 3.11 0.08 1.68 -1.05 -1.26 -0.13 118.70 117.09 1hvs s GLU 21 Ca 0.24 -0.85 -0.14 0.00 -0.15 0.00 0.00 54.97 54.07 1hvs s GLU 21 Cb 0.06 -2.73 0.02 0.00 -0.44 0.00 0.00 34.13 31.04 1hvs s GLU 21 CO 0.03 0.46 0.32 0.00 0.95 0.00 0.00 175.26 177.02 1hvs s ALA 22 N -1.90 -0.70 -0.16 -0.84 0.00 -0.23 -4.58 121.76 113.35 1hvs s ALA 22 Ca 0.33 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1hvs s ALA 22 Cb -0.09 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1hvs s ALA 22 CO 0.26 -0.52 0.12 -1.17 0.00 0.00 0.00 175.76 174.46 1hvs s LEU 23 N -2.48 4.23 -0.13 0.00 2.96 0.86 -0.83 118.68 123.29 1hvs s LEU 23 Ca -0.00 0.32 -0.27 0.00 -0.22 0.00 0.00 54.13 53.96 1hvs s LEU 23 Cb 0.01 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1hvs s LEU 23 CO -0.08 0.29 0.90 -0.76 -1.32 0.00 0.00 176.35 175.38 1hvs s LEU 24 N -0.30 4.22 -0.35 -0.68 1.43 0.29 -0.45 118.68 122.84 1hvs s LEU 24 Ca 0.11 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1hvs s LEU 24 Cb -0.12 -3.37 0.11 0.00 0.03 0.00 0.00 46.19 42.84 1hvs s LEU 24 CO 0.01 -0.40 0.14 -0.62 0.23 0.00 0.00 176.35 175.72 1hvs s ASP 25 N 1.10 3.89 0.13 2.29 -1.08 0.01 -4.76 116.67 118.25 1hvs s ASP 25 Ca 0.43 -1.96 0.18 0.00 -0.52 0.00 0.00 52.55 50.68 1hvs s ASP 25 Cb -0.17 -0.91 0.77 0.00 -1.46 0.00 0.00 42.92 41.15 1hvs s ASP 25 CO 0.16 -0.37 1.56 0.35 0.52 0.00 0.00 175.17 177.39 1hvs n THR 26 N 4.42 0.98 -0.21 1.71 -2.24 -1.26 -2.34 114.28 115.34 1hvs n THR 26 Ca 0.02 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 1hvs n THR 26 Cb 0.40 -1.14 0.30 0.00 -2.10 0.00 0.00 70.33 67.78 1hvs n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hvs n GLY 27 N -0.15 2.32 3.79 3.38 0.00 -1.26 -4.82 105.19 108.44 1hvs n GLY 27 Ca 0.02 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1hvs n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvs s ALA 28 N -1.12 3.74 0.23 4.61 0.00 -0.99 -4.97 121.76 123.27 1hvs s ALA 28 Ca 0.47 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1hvs s ALA 28 Cb 0.25 -2.03 0.24 0.00 0.00 0.00 0.00 23.12 21.57 1hvs s ALA 28 CO 0.33 0.39 1.58 -0.44 0.00 0.00 0.00 175.76 177.62 1hvs h ASP 29 N 5.85 0.48 -2.26 0.00 5.19 -1.88 0.84 116.42 124.63 1hvs h ASP 29 Ca -0.47 -0.23 -0.58 0.00 -0.62 0.00 0.00 57.03 55.13 1hvs h ASP 29 Cb 1.19 -0.14 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 1hvs h ASP 29 CO 0.67 0.89 -0.66 -1.81 -3.12 0.00 0.00 179.24 175.21 1hvs s ASP 30 N -6.88 3.38 -0.19 6.45 1.01 -1.26 -3.29 116.67 115.89 1hvs s ASP 30 Ca -0.06 -1.25 -0.12 0.00 0.71 0.00 0.00 52.55 51.83 1hvs s ASP 30 Cb 0.12 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.72 1hvs s ASP 30 CO 0.81 -0.33 0.20 -0.89 0.21 0.00 0.00 175.17 175.17 1hvs s THR 31 N -2.80 5.36 -0.09 -1.27 2.01 -1.26 -3.50 115.64 114.10 1hvs s THR 31 Ca 0.33 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.70 1hvs s THR 31 Cb 0.05 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1hvs s THR 31 CO 0.15 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 1hvs s VAL 32 N 0.48 1.75 0.09 3.82 1.01 -0.62 -1.74 120.40 125.19 1hvs s VAL 32 Ca 0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1hvs s VAL 32 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1hvs s VAL 32 CO 0.01 0.49 -0.16 -0.76 0.00 0.00 0.00 175.10 174.68 1hvs s LEU 33 N 0.42 2.32 0.90 3.92 1.43 0.58 -0.26 118.68 127.98 1hvs s LEU 33 Ca -0.17 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1hvs s LEU 33 Cb -0.17 -0.61 0.07 0.00 0.03 0.00 0.00 46.19 45.52 1hvs s LEU 33 CO 0.07 -0.06 0.76 -1.84 0.23 0.00 0.00 176.35 175.51 1hvs n GLU 34 N 1.03 -0.25 -1.65 1.70 0.28 -1.26 -1.53 120.64 118.97 1hvs n GLU 34 Ca -0.19 -0.01 -0.50 0.00 -0.16 0.00 0.00 57.16 56.29 1hvs n GLU 34 Cb 0.55 -2.10 -0.05 0.00 1.43 0.00 0.00 31.44 31.26 1hvs n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvs n GLU 35 N -2.68 1.64 -3.51 3.44 4.07 -0.97 -4.40 120.64 118.23 1hvs n GLU 35 Ca 0.10 0.59 -0.12 0.00 -0.06 0.00 0.00 57.16 57.67 1hvs n GLU 35 Cb 0.52 -2.32 -0.03 0.00 -0.06 0.00 0.00 31.44 29.55 1hvs n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hvs s MET 36 N 1.76 1.19 -0.35 5.31 0.23 -1.26 -5.03 119.30 121.15 1hvs s MET 36 Ca 0.86 -0.54 -0.04 0.00 -1.03 0.00 0.00 55.69 54.94 1hvs s MET 36 Cb -0.84 0.54 0.06 0.00 -1.53 0.00 0.00 34.83 33.06 1hvs s MET 36 CO 0.48 -0.50 0.10 -1.54 -2.03 0.00 0.00 175.02 171.53 1hvs s SER 37 N -2.72 5.16 0.07 -1.18 1.04 -1.26 -5.01 113.70 109.79 1hvs s SER 37 Ca 0.01 -1.45 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 1hvs s SER 37 Cb 0.00 -1.81 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1hvs s SER 37 CO -0.12 -0.37 0.31 -0.76 0.98 0.00 0.00 173.24 173.28 1hvs s LEU 38 N 1.28 4.33 0.45 2.42 1.43 -1.26 -5.07 118.68 122.27 1hvs s LEU 38 Ca -0.00 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.44 1hvs s LEU 38 Cb -0.21 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 1hvs s LEU 38 CO -0.01 0.17 1.13 -2.16 0.23 0.00 0.00 176.35 175.71 1hvs s PRO 39 N -2.15 3.85 0.00 1.29 0.04 -1.26 -4.91 135.00 131.85 1hvs s PRO 39 Ca 0.33 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1hvs s PRO 39 Cb -0.13 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1hvs s PRO 39 CO 0.20 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1hvs n GLY 40 N 0.36 1.91 3.78 0.56 0.00 -1.26 -5.08 105.19 105.47 1hvs n GLY 40 Ca 0.07 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1hvs n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvs s ARG 41 N -1.47 3.15 0.33 1.61 3.00 -1.26 -5.09 118.95 119.22 1hvs s ARG 41 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 55.73 55.40 1hvs s ARG 41 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 34.95 31.98 1hvs s ARG 41 CO 0.00 0.70 0.15 1.67 0.00 0.00 0.00 175.30 177.82 1hvs s TRP 42 N -1.07 1.67 0.02 -0.53 1.48 -1.26 -4.53 118.94 114.72 1hvs s TRP 42 Ca 0.18 -1.33 0.04 0.00 -1.06 0.00 0.00 56.10 53.92 1hvs s TRP 42 Cb -0.12 -0.94 -0.02 0.00 -1.16 0.00 0.00 33.47 31.24 1hvs s TRP 42 CO 0.08 -0.45 -0.11 0.15 -4.06 0.00 0.00 176.95 172.56 1hvs s LYS 43 N -3.79 0.80 0.39 3.25 1.02 -0.69 -4.91 119.74 115.82 1hvs s LYS 43 Ca 0.34 -0.56 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 1hvs s LYS 43 Cb 0.05 -0.76 -0.09 0.00 -0.52 0.00 0.00 37.83 36.51 1hvs s LYS 43 CO 0.17 0.19 1.22 -1.25 -0.92 0.00 0.00 175.35 174.77 1hvs s PRO 44 N -0.77 4.06 0.16 -1.68 0.04 -1.26 -0.01 135.00 135.53 1hvs s PRO 44 Ca 0.01 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.96 1hvs s PRO 44 Cb -0.06 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1hvs s PRO 44 CO 0.00 -0.36 0.21 0.21 0.04 0.00 0.00 177.00 177.11 1hvs s LYS 45 N -2.22 1.10 -0.07 4.56 2.20 0.90 -4.83 119.74 121.38 1hvs s LYS 45 Ca 0.56 -1.28 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1hvs s LYS 45 Cb -0.34 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.33 1hvs s LYS 45 CO 0.43 -0.38 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.28 1hvs s MET 46 N -4.00 1.77 0.16 4.03 -1.94 -1.26 -1.14 119.30 116.91 1hvs s MET 46 Ca 0.21 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1hvs s MET 46 Cb 0.05 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.37 1hvs s MET 46 CO 0.01 0.01 -0.18 0.96 -0.01 0.00 0.00 175.02 175.81 1hvs s ILE 47 N 0.74 1.77 0.27 2.53 -5.25 -0.86 -4.94 121.20 115.46 1hvs s ILE 47 Ca -0.13 -1.88 0.03 0.00 -0.99 0.00 0.00 60.65 57.68 1hvs s ILE 47 Cb -0.16 -1.81 -0.06 0.00 2.95 0.00 0.00 42.46 43.39 1hvs s ILE 47 CO 0.03 -0.31 0.04 -0.83 -1.79 0.00 0.00 174.94 172.07 1hvs s GLY 48 N -2.62 1.76 0.00 6.27 0.00 -1.26 -0.65 107.32 110.82 1hvs s GLY 48 Ca 0.15 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1hvs s GLY 48 CO 0.06 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1hvs n GLY 49 N -0.51 3.09 0.15 0.20 0.00 -0.23 -4.99 105.19 102.89 1hvs n GLY 49 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1hvs n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hvs h ILE 50 N 0.00 1.42 -0.32 -0.61 2.10 -2.03 -3.21 117.51 114.87 1hvs h ILE 50 Ca 0.00 -2.05 0.00 0.00 1.08 0.00 0.00 64.86 63.89 1hvs h ILE 50 Cb 0.00 2.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1hvs h ILE 50 CO 0.00 0.59 0.00 0.61 -1.08 0.00 0.00 178.15 178.27 1hvs n GLY 51 N 0.22 3.19 0.00 8.18 0.00 -1.26 -5.08 105.19 110.44 1hvs n GLY 51 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1hvs n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvs n GLY 52 N 0.17 0.94 3.41 -0.02 0.00 -1.21 -5.11 105.19 103.37 1hvs n GLY 52 Ca 0.15 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 1hvs n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvs s PHE 53 N -2.49 2.24 0.08 1.61 0.40 -1.26 -1.07 117.98 117.49 1hvs s PHE 53 Ca 0.00 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1hvs s PHE 53 Cb 0.00 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 1hvs s PHE 53 CO 0.00 0.49 -0.07 0.96 0.70 0.00 0.00 175.22 177.30 1hvs s ILE 54 N -1.78 0.67 -0.08 0.64 -4.36 0.18 -4.97 121.20 111.50 1hvs s ILE 54 Ca 0.21 -1.62 -0.17 0.00 -0.26 0.00 0.00 60.65 58.81 1hvs s ILE 54 Cb -0.07 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.30 1hvs s ILE 54 CO 0.10 -0.68 0.46 -0.54 0.24 0.00 0.00 174.94 174.52 1hvs s LYS 55 N -2.97 4.22 0.19 0.37 1.02 -1.26 -2.03 119.74 119.29 1hvs s LYS 55 Ca 0.04 0.45 -0.01 0.00 0.02 0.00 0.00 55.97 56.46 1hvs s LYS 55 Cb -0.01 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1hvs s LYS 55 CO -0.03 0.33 0.13 0.14 -0.92 0.00 0.00 175.35 175.01 1hvs s VAL 56 N 0.05 0.01 -0.11 3.17 -7.23 -0.29 -4.46 120.40 111.54 1hvs s VAL 56 Ca 0.25 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1hvs s VAL 56 Cb -0.16 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1hvs s VAL 56 CO 0.11 -0.07 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.57 1hvs s ARG 57 N -4.14 3.17 -0.23 4.82 0.52 -0.69 -0.07 118.95 122.34 1hvs s ARG 57 Ca 0.36 -0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 1hvs s ARG 57 Cb 0.07 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1hvs s ARG 57 CO 0.10 0.30 0.29 -1.14 0.02 0.00 0.00 175.30 174.88 1hvs s GLN 58 N 0.12 4.10 -0.09 3.54 0.74 0.98 -1.03 119.66 128.02 1hvs s GLN 58 Ca -0.07 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 1hvs s GLN 58 Cb -0.15 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1hvs s GLN 58 CO 0.05 -0.05 -0.02 0.71 -0.55 0.00 0.00 175.29 175.43 1hvs s TYR 59 N 1.36 3.09 0.12 1.67 1.51 0.20 -1.70 117.35 123.60 1hvs s TYR 59 Ca 0.13 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1hvs s TYR 59 Cb -0.14 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1hvs s TYR 59 CO 0.07 0.37 0.05 -0.51 -1.11 0.00 0.00 175.55 174.42 1hvs s ASP 60 N -0.70 5.22 -0.97 2.29 1.01 -1.26 -1.49 116.67 120.78 1hvs s ASP 60 Ca 0.11 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.18 1hvs s ASP 60 Cb -0.12 -1.30 0.00 0.00 1.01 0.00 0.00 42.92 42.52 1hvs s ASP 60 CO 0.02 0.14 0.83 0.00 0.21 0.00 0.00 175.17 176.37 1hvs n GLN 61 N 0.24 -5.53 -3.45 8.23 1.13 -0.94 -4.94 117.38 112.12 1hvs n GLN 61 Ca -0.09 0.63 -0.38 0.00 -1.94 0.00 0.00 57.00 55.22 1hvs n GLN 61 Cb 0.53 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.76 1hvs n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvs s ILE 62 N -3.26 5.06 -0.10 5.09 -1.09 0.19 -4.68 121.20 122.40 1hvs s ILE 62 Ca 0.22 0.87 -0.21 0.00 -2.23 0.00 0.00 60.65 59.30 1hvs s ILE 62 Cb -0.10 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1hvs s ILE 62 CO 0.55 0.52 0.61 -0.22 -1.23 0.00 0.00 174.94 175.17 1hvs s LEU 63 N -0.65 4.28 0.14 2.97 1.98 -1.26 -0.65 118.68 125.49 1hvs s LEU 63 Ca 0.24 1.01 0.05 0.00 -2.89 0.00 0.00 54.13 52.54 1hvs s LEU 63 Cb -0.16 -2.91 -0.04 0.00 0.66 0.00 0.00 46.19 43.73 1hvs s LEU 63 CO 0.13 -0.09 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.75 1hvs s ILE 64 N 0.86 1.28 -0.15 6.68 1.01 -0.61 -4.43 121.20 125.83 1hvs s ILE 64 Ca 0.32 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.01 1hvs s ILE 64 Cb -0.16 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1hvs s ILE 64 CO 0.14 -0.62 -0.05 -0.70 0.00 0.00 0.00 174.94 173.72 1hvs s GLU 65 N -3.36 1.32 -0.37 2.79 2.12 -0.92 -1.95 118.70 118.33 1hvs s GLU 65 Ca 0.14 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.04 1hvs s GLU 65 Cb -0.00 -1.81 0.07 0.00 0.26 0.00 0.00 34.13 32.65 1hvs s GLU 65 CO 0.02 -0.39 0.15 0.42 -0.54 0.00 0.00 175.26 174.92 1hvs s ILE 66 N 1.70 3.58 -1.26 -3.70 1.01 0.53 -1.70 121.20 121.36 1hvs s ILE 66 Ca 0.02 -1.54 -0.24 0.00 0.00 0.00 0.00 60.65 58.90 1hvs s ILE 66 Cb -0.14 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1hvs s ILE 66 CO -0.08 -0.40 0.45 0.00 0.00 0.00 0.00 174.94 174.91 1hvs n GLY 68 N -2.21 3.23 3.67 0.00 0.00 -1.26 -5.01 105.19 103.61 1hvs n GLY 68 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1hvs n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvs s HIS 69 N -2.00 3.38 0.42 1.61 4.02 -0.74 -5.05 115.29 116.93 1hvs s HIS 69 Ca 0.00 0.74 -0.07 0.00 1.02 0.00 0.00 55.06 56.75 1hvs s HIS 69 Cb 0.00 -2.63 -0.05 0.00 -1.02 0.00 0.00 32.58 28.88 1hvs s HIS 69 CO 0.00 -0.06 0.74 0.15 1.02 0.00 0.00 174.74 176.58 1hvs s LYS 70 N 1.49 3.65 0.01 1.40 1.02 -1.26 -0.34 119.74 125.71 1hvs s LYS 70 Ca 0.23 0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.30 1hvs s LYS 70 Cb -0.15 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1hvs s LYS 70 CO 0.09 -0.06 0.39 0.00 -0.92 0.00 0.00 175.35 174.85 1hvs s ALA 71 N -2.48 -0.96 -0.05 5.17 0.00 -0.82 -4.72 121.76 117.90 1hvs s ALA 71 Ca 0.48 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1hvs s ALA 71 Cb -0.10 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1hvs s ALA 71 CO 0.37 -0.36 -0.08 0.42 0.00 0.00 0.00 175.76 176.11 1hvs s ILE 72 N -1.88 0.80 0.00 0.00 1.09 -1.26 -1.58 121.20 118.37 1hvs s ILE 72 Ca -0.09 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.17 1hvs s ILE 72 Cb -0.02 -0.77 0.00 0.00 -1.06 0.00 0.00 42.46 40.61 1hvs s ILE 72 CO 0.02 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 1hvs n GLY 73 N 3.89 1.01 3.80 6.18 0.00 0.17 -4.87 105.19 115.37 1hvs n GLY 73 Ca -0.24 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1hvs n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvs s THR 74 N -2.14 4.74 -0.00 2.61 2.01 -1.26 0.55 115.64 122.15 1hvs s THR 74 Ca 0.00 1.28 0.04 0.00 0.31 0.00 0.00 61.69 63.32 1hvs s THR 74 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1hvs s THR 74 CO 0.00 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1hvs s VAL 75 N -0.90 1.12 -0.11 3.82 1.01 -0.56 -4.37 120.40 120.42 1hvs s VAL 75 Ca 0.30 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1hvs s VAL 75 Cb -0.20 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1hvs s VAL 75 CO 0.19 0.26 -0.16 -0.76 0.00 0.00 0.00 175.10 174.63 1hvs s LEU 76 N -0.49 2.56 -0.08 3.92 1.43 -0.71 -0.63 118.68 124.67 1hvs s LEU 76 Ca 0.05 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1hvs s LEU 76 Cb -0.06 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1hvs s LEU 76 CO -0.00 0.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.90 1hvs s VAL 77 N 0.13 2.57 0.01 -1.59 1.01 -0.19 -0.31 120.40 122.03 1hvs s VAL 77 Ca -0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1hvs s VAL 77 Cb -0.15 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1hvs s VAL 77 CO 0.05 0.56 0.40 0.61 0.00 0.00 0.00 175.10 176.72 1hvs n GLY 78 N 3.02 0.61 2.15 4.51 0.00 -0.58 -1.70 105.19 113.21 1hvs n GLY 78 Ca -0.18 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 1hvs n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvs n PRO 79 N -0.28 2.35 -3.01 1.61 -0.04 -1.26 -2.28 135.00 132.09 1hvs n PRO 79 Ca 0.01 -1.30 -0.36 0.00 -0.04 0.00 0.00 63.50 61.81 1hvs n PRO 79 Cb 0.19 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 1hvs n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvs s THR 80 N 1.58 4.47 -0.05 0.52 -1.32 -1.26 -4.97 115.64 114.61 1hvs s THR 80 Ca 0.62 1.42 0.31 0.00 -1.21 0.00 0.00 61.69 62.83 1hvs s THR 80 Cb 0.25 -3.87 0.37 0.00 -1.51 0.00 0.00 72.50 67.74 1hvs s THR 80 CO -0.02 0.14 1.90 1.55 -2.21 0.00 0.00 174.62 175.99 1hvs h PRO 81 N 3.22 0.00 -4.79 7.08 0.13 -1.98 -3.43 132.00 132.22 1hvs h PRO 81 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1hvs h PRO 81 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1hvs h PRO 81 CO 0.65 0.00 -0.71 0.00 -0.23 0.00 0.00 178.00 177.71 1hvs s ALA 82 N -3.56 1.09 -0.13 -0.56 0.00 -1.26 -5.09 121.76 112.25 1hvs s ALA 82 Ca 0.02 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.44 1hvs s ALA 82 Cb 0.08 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1hvs s ALA 82 CO 0.55 -0.16 0.64 -0.80 0.00 0.00 0.00 175.76 175.98 1hvs s ASN 83 N -2.92 6.81 -0.16 0.00 0.01 -1.26 -4.60 114.94 112.82 1hvs s ASN 83 Ca 0.11 0.97 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 1hvs s ASN 83 Cb 0.03 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.34 1hvs s ASN 83 CO -0.03 -0.17 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.60 1hvs s ILE 84 N 1.29 1.77 -0.33 0.60 1.01 0.64 -0.10 121.20 126.07 1hvs s ILE 84 Ca 0.32 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1hvs s ILE 84 Cb -0.16 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1hvs s ILE 84 CO 0.13 0.48 0.35 -0.63 0.00 0.00 0.00 174.94 175.27 1hvs s ILE 85 N 1.41 5.18 0.10 2.92 -1.09 0.40 -1.58 121.20 128.54 1hvs s ILE 85 Ca 0.05 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1hvs s ILE 85 Cb -0.13 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1hvs s ILE 85 CO -0.12 -0.03 0.14 0.61 -1.23 0.00 0.00 174.94 174.31 1hvs n GLY 86 N 4.93 1.92 0.28 6.18 0.00 -1.23 -0.81 105.19 116.46 1hvs n GLY 86 Ca -0.09 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 43.94 1hvs n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvs h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.92 -2.49 114.38 115.67 1hvs h ARG 87 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1hvs h ARG 87 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1hvs h ARG 87 CO 0.07 0.08 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.00 1hvs h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.82 -0.88 115.58 118.85 1hvs h ASN 88 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.26 1hvs h ASN 88 Cb 0.38 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.61 1hvs h ASN 88 CO 0.01 0.10 -1.76 0.18 0.07 0.00 0.00 177.43 176.03 1hvs n LEU 89 N -3.74 0.00 0.16 6.14 4.77 -1.01 -4.39 117.00 118.92 1hvs n LEU 89 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1hvs n LEU 89 Cb 0.20 0.14 0.28 0.00 -2.33 0.00 0.00 43.42 41.72 1hvs n LEU 89 CO 0.30 0.14 0.64 -0.07 -1.33 0.00 0.00 177.39 177.08 1hvs h LEU 90 N 0.00 0.04 -0.89 2.23 3.38 -1.24 -2.44 115.31 116.39 1hvs h LEU 90 Ca -0.16 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1hvs h LEU 90 Cb 1.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1hvs h LEU 90 CO 0.01 0.49 0.02 0.71 0.09 0.00 0.00 178.44 179.76 1hvs h THR 91 N 0.03 1.24 0.00 0.22 1.35 -1.37 -2.60 112.91 111.79 1hvs h THR 91 Ca -0.00 -1.00 -0.05 0.00 -0.55 0.00 0.00 66.41 64.81 1hvs h THR 91 Cb 0.81 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1hvs h THR 91 CO 0.06 0.36 -0.22 1.56 -0.25 0.00 0.00 175.52 177.03 1hvs h GLN 92 N 0.78 0.00 -0.20 4.72 4.20 -1.65 -2.63 115.11 120.33 1hvs h GLN 92 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1hvs h GLN 92 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1hvs h GLN 92 CO 0.02 0.22 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 1hvs n ILE 93 N -3.71 0.25 -1.67 2.54 -5.35 -0.99 -4.93 119.36 105.49 1hvs n ILE 93 Ca -0.01 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1hvs n ILE 93 Cb 0.33 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1hvs n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvs n GLY 94 N 1.23 0.58 3.82 3.28 0.00 -0.99 -5.01 105.19 108.09 1hvs n GLY 94 Ca 0.17 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1hvs n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvs s THR 96 N -0.75 1.33 -0.13 0.00 -4.23 -1.26 -4.84 115.64 105.77 1hvs s THR 96 Ca 0.22 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1hvs s THR 96 Cb -0.15 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1hvs s THR 96 CO 0.10 0.00 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.30 1hvs s LEU 97 N -3.55 2.72 -0.10 4.79 1.43 -1.26 -5.10 118.68 117.62 1hvs s LEU 97 Ca 0.35 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1hvs s LEU 97 Cb 0.09 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1hvs s LEU 97 CO 0.16 0.16 -0.06 0.20 0.23 0.00 0.00 176.35 177.04 1hvs s ASN 98 N 0.37 2.04 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.21 1hvs s ASN 98 Ca -0.11 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.93 1hvs s ASN 98 Cb -0.16 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.31 1hvs s ASN 98 CO 0.05 -0.13 0.07 2.22 -2.57 0.00 0.00 177.10 176.74