#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 3.48 -0.13 -0.52 0.74 -1.26 -5.09 119.66 116.88 1hvs s GLN 2 Ca 0.00 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.81 1hvs s GLN 2 Cb 0.00 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1hvs s GLN 2 CO 0.00 0.08 -0.17 0.42 -0.55 0.00 0.00 175.29 175.07 1hvs s ILE 3 N 0.75 2.70 0.53 -2.34 1.01 -1.26 -5.11 121.20 117.49 1hvs s ILE 3 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1hvs s ILE 3 Cb -0.15 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1hvs s ILE 3 CO 0.02 0.53 0.76 0.42 0.00 0.00 0.00 174.94 176.67 1hvs s THR 4 N 0.42 2.99 -0.22 2.92 -4.23 -1.26 -5.02 115.64 111.24 1hvs s THR 4 Ca -0.12 -0.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1hvs s THR 4 Cb -0.16 -3.12 0.43 0.00 1.34 0.00 0.00 72.50 70.98 1hvs s THR 4 CO 0.06 -0.09 1.28 0.18 -0.54 0.00 0.00 174.62 175.51 1hvs n LEU 5 N -2.31 3.08 -0.01 4.79 4.77 -1.26 -4.52 117.00 121.55 1hvs n LEU 5 Ca 0.06 -3.72 -0.14 0.00 -0.03 0.00 0.00 56.01 52.19 1hvs n LEU 5 Cb 0.59 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1hvs n LEU 5 CO 0.46 1.24 0.35 -0.50 -1.33 0.00 0.00 177.39 177.60 1hvs h TRP 6 N 0.89 0.87 -1.93 -1.77 4.06 -2.06 -3.43 115.95 112.59 1hvs h TRP 6 Ca 0.06 -0.36 -0.47 0.00 2.06 0.00 0.00 58.89 60.17 1hvs h TRP 6 Cb 1.19 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 1hvs h TRP 6 CO 0.71 1.16 -0.41 -0.65 -3.56 0.00 0.00 178.44 175.69 1hvs s GLN 7 N -3.80 3.01 0.29 0.49 -0.21 -1.26 -5.08 119.66 113.10 1hvs s GLN 7 Ca -0.09 -1.07 -0.30 0.00 0.02 0.00 0.00 55.36 53.92 1hvs s GLN 7 Cb 0.10 -2.68 -0.12 0.00 1.00 0.00 0.00 33.01 31.31 1hvs s GLN 7 CO 0.88 0.17 1.61 0.54 -2.12 0.00 0.00 175.29 176.37 1hvs n ARG 8 N -1.46 2.75 -2.58 2.91 1.74 -1.26 -4.87 116.66 113.89 1hvs n ARG 8 Ca -0.03 0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 1hvs n ARG 8 Cb 0.58 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.22 1hvs n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hvs s PRO 9 N -0.44 3.56 -0.08 5.56 0.04 -1.26 -4.95 135.00 137.43 1hvs s PRO 9 Ca 0.64 -1.09 0.01 0.00 0.04 0.00 0.00 61.00 60.61 1hvs s PRO 9 Cb -0.49 -5.26 -0.03 0.00 0.04 0.00 0.00 34.50 28.77 1hvs s PRO 9 CO 0.48 -2.19 -0.09 -0.51 0.04 0.00 0.00 177.00 174.73 1hvs s LEU 10 N 4.93 3.01 0.22 -3.56 1.43 -1.26 -0.68 118.68 122.77 1hvs s LEU 10 Ca 0.45 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1hvs s LEU 10 Cb -0.01 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1hvs s LEU 10 CO -0.08 0.32 -0.02 0.68 0.23 0.00 0.00 176.35 177.47 1hvs s VAL 11 N -0.53 1.09 0.06 -1.59 -7.23 0.62 -4.92 120.40 107.89 1hvs s VAL 11 Ca 0.08 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 1hvs s VAL 11 Cb -0.12 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 1hvs s VAL 11 CO 0.02 -0.37 0.65 -0.89 -0.31 0.00 0.00 175.10 174.19 1hvs s THR 12 N -3.38 4.72 0.19 5.32 2.01 -1.26 -0.50 115.64 122.74 1hvs s THR 12 Ca 0.27 1.39 0.10 0.00 0.31 0.00 0.00 61.69 63.76 1hvs s THR 12 Cb 0.05 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1hvs s THR 12 CO 0.08 0.47 -0.21 0.27 -0.69 0.00 0.00 174.62 174.54 1hvs s ILE 13 N -0.65 2.15 -0.11 1.82 -4.36 0.86 -2.47 121.20 118.44 1hvs s ILE 13 Ca 0.33 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 1hvs s ILE 13 Cb -0.20 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1hvs s ILE 13 CO 0.21 -0.23 -0.22 -0.75 0.24 0.00 0.00 174.94 174.18 1hvs s LYS 14 N -2.83 2.93 -0.16 0.37 2.20 0.46 -1.33 119.74 121.38 1hvs s LYS 14 Ca 0.20 -0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 54.84 1hvs s LYS 14 Cb -0.07 -2.26 0.04 0.00 -1.51 0.00 0.00 37.83 34.03 1hvs s LYS 14 CO 0.09 0.11 0.42 -1.50 -0.36 0.00 0.00 175.35 174.11 1hvs s ILE 15 N 0.50 -0.00 0.00 5.43 2.07 0.58 -1.45 121.20 128.32 1hvs s ILE 15 Ca -0.15 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1hvs s ILE 15 Cb -0.17 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1hvs s ILE 15 CO 0.06 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1hvs n GLY 16 N 3.02 0.18 0.00 1.50 0.00 -1.26 0.47 105.19 109.10 1hvs n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.47 2.20 3.92 -0.02 0.00 -1.26 -5.00 105.19 103.56 1hvs n GLY 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1hvs n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvs s GLN 18 N -0.68 3.54 0.10 1.61 -1.52 0.18 -5.08 119.66 117.81 1hvs s GLN 18 Ca 0.00 -0.29 -0.09 0.00 -1.95 0.00 0.00 55.36 53.03 1hvs s GLN 18 Cb 0.00 -2.82 -0.06 0.00 -0.22 0.00 0.00 33.01 29.92 1hvs s GLN 18 CO 0.00 0.38 0.40 -0.51 -0.25 0.00 0.00 175.29 175.31 1hvs s LEU 19 N -3.33 4.32 0.20 2.90 1.02 -1.26 -0.31 118.68 122.22 1hvs s LEU 19 Ca 0.39 0.75 -0.13 0.00 0.02 0.00 0.00 54.13 55.16 1hvs s LEU 19 Cb -0.11 -3.10 0.00 0.00 0.02 0.00 0.00 46.19 43.00 1hvs s LEU 19 CO 0.29 0.13 0.43 -0.75 0.02 0.00 0.00 176.35 176.47 1hvs s LYS 20 N -2.14 1.37 0.05 1.70 2.20 -0.44 -4.97 119.74 117.51 1hvs s LYS 20 Ca 0.36 -1.11 0.06 0.00 -0.36 0.00 0.00 55.97 54.92 1hvs s LYS 20 Cb -0.13 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 1hvs s LYS 20 CO 0.20 -0.56 -0.11 -1.21 -0.36 0.00 0.00 175.35 173.31 1hvs s GLU 21 N -3.96 2.28 0.15 4.03 2.02 -1.26 -0.09 118.70 121.87 1hvs s GLU 21 Ca 0.17 -0.89 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 1hvs s GLU 21 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1hvs s GLU 21 CO 0.02 0.55 0.18 0.00 0.02 0.00 0.00 175.26 176.03 1hvs s ALA 22 N -1.05 0.40 -0.11 5.21 0.00 0.35 -4.61 121.76 121.96 1hvs s ALA 22 Ca 0.18 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1hvs s ALA 22 Cb -0.11 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1hvs s ALA 22 CO 0.09 -0.57 0.13 -1.17 0.00 0.00 0.00 175.76 174.23 1hvs s LEU 23 N -3.00 4.30 -0.36 0.00 2.96 0.53 -0.28 118.68 122.82 1hvs s LEU 23 Ca 0.20 0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 54.31 1hvs s LEU 23 Cb 0.05 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1hvs s LEU 23 CO 0.01 0.40 0.79 -0.76 -1.32 0.00 0.00 176.35 175.46 1hvs s LEU 24 N -1.06 4.13 -0.33 -0.68 1.43 0.14 -0.03 118.68 122.28 1hvs s LEU 24 Ca 0.15 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1hvs s LEU 24 Cb -0.12 -3.03 0.10 0.00 0.03 0.00 0.00 46.19 43.17 1hvs s LEU 24 CO 0.04 -0.73 0.07 -0.62 0.23 0.00 0.00 176.35 175.35 1hvs s ASP 25 N 1.84 4.46 0.57 2.29 2.15 0.20 -4.86 116.67 123.33 1hvs s ASP 25 Ca 0.31 -1.98 0.35 0.00 0.43 0.00 0.00 52.55 51.66 1hvs s ASP 25 Cb -0.13 -1.33 1.60 0.00 -0.30 0.00 0.00 42.92 42.76 1hvs s ASP 25 CO 0.17 -0.39 2.08 0.71 -0.17 0.00 0.00 175.17 177.57 1hvs h THR 26 N 6.53 0.13 -0.27 1.71 1.35 -1.95 -2.14 112.91 118.26 1hvs h THR 26 Ca -0.08 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1hvs h THR 26 Cb 1.01 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1hvs h THR 26 CO 0.50 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1hvs n GLY 27 N -0.33 0.30 3.29 5.82 0.00 -1.26 -4.79 105.19 108.23 1hvs n GLY 27 Ca -0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.63 2.57 0.19 4.61 0.00 -0.80 -4.99 121.76 121.70 1hvs s ALA 28 Ca 0.18 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1hvs s ALA 28 Cb 0.10 -1.30 0.11 0.00 0.00 0.00 0.00 23.12 22.03 1hvs s ALA 28 CO 0.12 -0.04 1.76 -0.44 0.00 0.00 0.00 175.76 177.16 1hvs h ASP 29 N 7.32 0.92 -2.00 0.00 5.19 -1.87 0.42 116.42 126.39 1hvs h ASP 29 Ca -0.33 -0.16 -0.60 0.00 -0.62 0.00 0.00 57.03 55.32 1hvs h ASP 29 Cb 1.19 -0.24 -0.13 0.00 0.18 0.00 0.00 39.33 40.33 1hvs h ASP 29 CO 0.58 0.82 -0.63 -1.81 -3.12 0.00 0.00 179.24 175.08 1hvs s ASP 30 N -6.16 3.59 -0.22 6.45 1.01 -1.26 -1.97 116.67 118.12 1hvs s ASP 30 Ca -0.13 -1.31 -0.07 0.00 0.71 0.00 0.00 52.55 51.75 1hvs s ASP 30 Cb 0.14 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 1hvs s ASP 30 CO 0.81 -0.39 0.06 -0.89 0.21 0.00 0.00 175.17 174.96 1hvs s THR 31 N -2.77 4.45 -0.17 -1.27 2.01 -1.26 -3.49 115.64 113.14 1hvs s THR 31 Ca 0.34 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1hvs s THR 31 Cb 0.07 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1hvs s THR 31 CO 0.17 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 1hvs s VAL 32 N 1.09 1.61 0.12 3.82 1.01 -1.03 -0.74 120.40 126.28 1hvs s VAL 32 Ca 0.04 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1hvs s VAL 32 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1hvs s VAL 32 CO 0.03 0.33 -0.12 -0.76 0.00 0.00 0.00 175.10 174.59 1hvs s LEU 33 N 1.45 2.95 0.78 3.92 1.43 0.14 -1.35 118.68 127.99 1hvs s LEU 33 Ca 0.02 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1hvs s LEU 33 Cb -0.14 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1hvs s LEU 33 CO -0.10 0.16 0.93 -1.84 0.23 0.00 0.00 176.35 175.74 1hvs n GLU 34 N 0.60 0.27 -1.72 1.70 0.28 -1.25 -1.41 120.64 119.11 1hvs n GLU 34 Ca -0.13 0.15 -0.65 0.00 -0.16 0.00 0.00 57.16 56.37 1hvs n GLU 34 Cb 0.53 -2.20 -0.09 0.00 1.43 0.00 0.00 31.44 31.10 1hvs n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1hvs n GLU 35 N -2.20 0.28 -3.88 3.44 -0.58 -0.88 -4.53 120.64 112.29 1hvs n GLU 35 Ca 0.12 0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.87 1hvs n GLU 35 Cb 0.50 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1hvs n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hvs s MET 36 N 2.83 1.27 -0.14 3.49 0.23 -1.26 -5.01 119.30 120.71 1hvs s MET 36 Ca 1.02 -1.06 -0.21 0.00 -1.03 0.00 0.00 55.69 54.41 1hvs s MET 36 Cb -1.38 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 32.33 1hvs s MET 36 CO 0.76 -0.50 0.62 -1.54 -2.03 0.00 0.00 175.02 172.32 1hvs s SER 37 N -2.93 6.78 0.03 -1.18 1.04 -1.26 -5.05 113.70 111.13 1hvs s SER 37 Ca 0.14 0.95 0.07 0.00 0.48 0.00 0.00 55.95 57.58 1hvs s SER 37 Cb 0.01 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 1hvs s SER 37 CO -0.00 -0.16 -0.19 -0.76 0.98 0.00 0.00 173.24 173.11 1hvs s LEU 38 N 1.26 2.15 0.54 2.42 1.43 -1.26 -5.04 118.68 120.18 1hvs s LEU 38 Ca 0.31 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1hvs s LEU 38 Cb -0.16 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 1hvs s LEU 38 CO 0.13 0.14 1.33 -2.84 0.23 0.00 0.00 176.35 175.34 1hvs s PRO 39 N -1.04 3.16 0.00 1.29 0.02 -1.26 -4.84 135.00 132.32 1hvs s PRO 39 Ca 0.06 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1hvs s PRO 39 Cb -0.08 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1hvs s PRO 39 CO 0.01 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1hvs n GLY 40 N 0.70 0.64 3.56 0.52 0.00 -1.26 -5.08 105.19 104.27 1hvs n GLY 40 Ca 0.10 -2.31 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.64 1.93 0.14 1.61 3.00 -1.26 -5.14 118.95 118.59 1hvs s ARG 41 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 55.73 53.87 1hvs s ARG 41 Cb 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 34.95 33.09 1hvs s ARG 41 CO 0.00 0.25 0.36 1.67 0.00 0.00 0.00 175.30 177.58 1hvs s TRP 42 N -2.50 0.03 0.03 -0.53 1.48 -1.26 -4.61 118.94 111.57 1hvs s TRP 42 Ca 0.32 -0.38 0.08 0.00 -1.06 0.00 0.00 56.10 55.06 1hvs s TRP 42 Cb -0.03 0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.42 1hvs s TRP 42 CO 0.17 -0.73 -0.24 0.15 -4.06 0.00 0.00 176.95 172.24 1hvs s LYS 43 N -3.87 1.75 0.54 3.25 3.01 -1.11 -4.87 119.74 118.42 1hvs s LYS 43 Ca 0.08 -0.99 -0.20 0.00 -1.01 0.00 0.00 55.97 53.85 1hvs s LYS 43 Cb 0.02 -1.84 -0.05 0.00 -1.01 0.00 0.00 37.83 34.95 1hvs s LYS 43 CO -0.07 0.48 1.18 -2.14 0.51 0.00 0.00 175.35 175.31 1hvs s PRO 44 N -1.02 3.32 0.19 -1.68 0.02 -1.26 -0.38 135.00 134.20 1hvs s PRO 44 Ca 0.10 1.76 -0.11 0.00 0.02 0.00 0.00 61.00 62.76 1hvs s PRO 44 Cb -0.09 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.33 1hvs s PRO 44 CO 0.01 -0.91 0.37 0.21 -0.33 0.00 0.00 177.00 176.36 1hvs s LYS 45 N -3.13 1.28 0.00 5.54 2.20 -0.37 -4.84 119.74 120.42 1hvs s LYS 45 Ca 0.72 -1.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 1hvs s LYS 45 Cb -0.28 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 1hvs s LYS 45 CO 0.32 -0.50 -0.22 -1.64 -0.36 0.00 0.00 175.35 172.95 1hvs s MET 46 N -3.96 2.11 0.13 4.03 -1.94 -1.26 -0.58 119.30 117.83 1hvs s MET 46 Ca 0.17 -0.94 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1hvs s MET 46 Cb 0.02 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1hvs s MET 46 CO 0.01 0.56 -0.09 0.96 -0.01 0.00 0.00 175.02 176.45 1hvs s ILE 47 N -0.75 1.06 0.15 2.53 -5.25 -0.11 -4.95 121.20 113.87 1hvs s ILE 47 Ca 0.12 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.79 1hvs s ILE 47 Cb -0.10 -1.77 -0.04 0.00 2.95 0.00 0.00 42.46 43.49 1hvs s ILE 47 CO 0.01 -0.75 0.01 -0.83 -1.79 0.00 0.00 174.94 171.59 1hvs s GLY 48 N -3.07 1.07 0.00 6.27 0.00 -1.26 -0.31 107.32 110.01 1hvs s GLY 48 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1hvs s GLY 48 CO -0.01 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1hvs n GLY 49 N -0.16 3.38 3.71 0.20 0.00 0.17 -4.99 105.19 107.50 1hvs n GLY 49 Ca -0.07 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1hvs n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hvs n ILE 50 N 0.00 0.12 0.00 -0.61 2.08 -1.26 -1.69 119.36 118.00 1hvs n ILE 50 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1hvs n ILE 50 Cb 0.00 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 1hvs n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hvs n GLY 51 N 4.06 3.09 0.00 7.39 0.00 -1.26 -4.93 105.19 113.54 1hvs n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.69 3.35 -0.02 0.00 -0.68 -5.06 105.19 101.47 1hvs n GLY 52 Ca 0.00 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.61 2.37 0.36 1.61 0.40 -1.26 -0.66 117.98 119.19 1hvs s PHE 53 Ca 0.00 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1hvs s PHE 53 Cb 0.00 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 42.02 1hvs s PHE 53 CO 0.00 0.08 0.04 0.96 0.70 0.00 0.00 175.22 177.00 1hvs s ILE 54 N -0.75 2.47 -0.15 0.64 -4.36 0.58 -4.96 121.20 114.68 1hvs s ILE 54 Ca 0.11 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.51 1hvs s ILE 54 Cb -0.10 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1hvs s ILE 54 CO 0.01 -0.14 0.05 -0.54 0.24 0.00 0.00 174.94 174.56 1hvs s LYS 55 N -3.74 3.65 0.13 0.37 1.02 -1.26 -0.94 119.74 118.97 1hvs s LYS 55 Ca 0.36 -0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.05 1hvs s LYS 55 Cb 0.02 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1hvs s LYS 55 CO 0.20 0.44 -0.10 0.14 -0.92 0.00 0.00 175.35 175.10 1hvs s VAL 56 N -0.11 1.12 -0.08 3.17 -7.23 0.25 -4.52 120.40 112.99 1hvs s VAL 56 Ca 0.06 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1hvs s VAL 56 Cb -0.12 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1hvs s VAL 56 CO 0.01 -0.70 0.26 -0.13 -0.31 0.00 0.00 175.10 174.23 1hvs s ARG 57 N -3.52 3.70 -0.21 4.82 0.52 0.17 -1.24 118.95 123.18 1hvs s ARG 57 Ca 0.14 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.37 1hvs s ARG 57 Cb 0.01 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1hvs s ARG 57 CO 0.00 0.69 0.08 -1.14 0.02 0.00 0.00 175.30 174.96 1hvs s GLN 58 N -0.90 3.90 -0.13 3.54 0.74 0.49 -0.85 119.66 126.45 1hvs s GLN 58 Ca 0.18 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1hvs s GLN 58 Cb -0.14 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 1hvs s GLN 58 CO 0.07 0.10 -0.15 0.71 -0.55 0.00 0.00 175.29 175.47 1hvs s TYR 59 N 0.87 2.77 0.34 1.67 1.51 0.06 -2.77 117.35 121.80 1hvs s TYR 59 Ca 0.04 -0.74 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1hvs s TYR 59 Cb -0.14 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1hvs s TYR 59 CO 0.03 -0.27 0.51 -0.51 -1.11 0.00 0.00 175.55 174.20 1hvs s ASP 60 N 0.39 6.12 -1.53 2.29 1.01 -1.26 -0.51 116.67 123.19 1hvs s ASP 60 Ca -0.12 0.16 -0.14 0.00 0.71 0.00 0.00 52.55 53.17 1hvs s ASP 60 Cb -0.16 -1.69 0.08 0.00 1.01 0.00 0.00 42.92 42.16 1hvs s ASP 60 CO 0.06 -0.36 0.98 0.00 0.21 0.00 0.00 175.17 176.06 1hvs n GLN 61 N -1.72 -5.57 -3.45 8.23 6.02 -1.19 -4.92 117.38 114.78 1hvs n GLN 61 Ca -0.03 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.19 1hvs n GLN 61 Cb 0.57 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 26.26 1hvs n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hvs s ILE 62 N -3.29 5.25 0.16 5.09 -1.09 -0.43 -4.67 121.20 122.22 1hvs s ILE 62 Ca 0.66 0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 59.45 1hvs s ILE 62 Cb -0.33 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 36.77 1hvs s ILE 62 CO 0.81 0.33 1.25 -0.76 -1.23 0.00 0.00 174.94 175.34 1hvs s LEU 63 N 0.76 4.42 -0.06 2.97 2.01 -1.26 -1.30 118.68 126.22 1hvs s LEU 63 Ca 0.19 2.25 -0.07 0.00 0.01 0.00 0.00 54.13 56.51 1hvs s LEU 63 Cb -0.14 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.48 1hvs s LEU 63 CO 0.06 -0.46 0.20 -0.51 1.01 0.00 0.00 176.35 176.65 1hvs s ILE 64 N 0.30 0.01 -0.16 -0.59 2.07 -0.12 -4.48 121.20 118.23 1hvs s ILE 64 Ca 0.56 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1hvs s ILE 64 Cb -0.34 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 41.93 1hvs s ILE 64 CO 0.35 -0.06 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.49 1hvs s GLU 65 N -0.13 3.25 -0.26 3.50 2.12 -0.53 -0.50 118.70 126.15 1hvs s GLU 65 Ca -0.02 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.56 1hvs s GLU 65 Cb -0.02 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.72 1hvs s GLU 65 CO 0.01 0.01 -0.04 0.42 -0.54 0.00 0.00 175.26 175.12 1hvs s ILE 66 N 0.84 3.00 -1.44 -3.70 1.09 0.97 -0.40 121.20 121.56 1hvs s ILE 66 Ca -0.04 -1.06 -0.05 0.00 -1.10 0.00 0.00 60.65 58.39 1hvs s ILE 66 Cb -0.15 -2.56 0.04 0.00 -1.06 0.00 0.00 42.46 38.72 1hvs s ILE 66 CO -0.00 0.13 0.65 0.00 -0.10 0.00 0.00 174.94 175.62 1hvs n GLY 68 N -1.74 0.52 3.63 0.00 0.00 -1.26 -4.98 105.19 101.36 1hvs n GLY 68 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.48 3.16 0.11 1.61 4.02 -0.11 -5.10 115.29 116.50 1hvs s HIS 69 Ca 0.00 0.04 -0.15 0.00 1.02 0.00 0.00 55.06 55.97 1hvs s HIS 69 Cb 0.00 -1.91 -0.07 0.00 -1.02 0.00 0.00 32.58 29.58 1hvs s HIS 69 CO 0.00 0.26 0.53 0.15 1.02 0.00 0.00 174.74 176.70 1hvs s LYS 70 N -0.24 4.01 0.11 1.40 1.02 -1.26 -0.02 119.74 124.75 1hvs s LYS 70 Ca 0.06 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.60 1hvs s LYS 70 Cb -0.12 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1hvs s LYS 70 CO 0.02 0.55 -0.08 0.00 -0.92 0.00 0.00 175.35 174.91 1hvs s ALA 71 N -1.33 1.12 -0.10 5.17 0.00 0.34 -4.68 121.76 122.27 1hvs s ALA 71 Ca 0.34 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1hvs s ALA 71 Cb -0.16 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1hvs s ALA 71 CO 0.18 -0.15 0.08 0.42 0.00 0.00 0.00 175.76 176.30 1hvs s ILE 72 N -3.21 -0.12 0.01 0.00 1.01 -1.26 -0.94 121.20 116.69 1hvs s ILE 72 Ca 0.11 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1hvs s ILE 72 Cb 0.02 -0.36 0.07 0.00 0.01 0.00 0.00 42.46 42.20 1hvs s ILE 72 CO -0.02 -0.03 0.93 0.61 0.00 0.00 0.00 174.94 176.42 1hvs n GLY 73 N 5.29 0.40 3.76 6.18 0.00 -0.42 -4.83 105.19 115.58 1hvs n GLY 73 Ca -0.05 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.07 4.52 -0.07 2.61 2.01 -1.26 -1.31 115.64 120.06 1hvs s THR 74 Ca 0.22 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.94 1hvs s THR 74 Cb -0.01 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1hvs s THR 74 CO 0.00 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 1hvs s VAL 75 N -0.62 1.04 -0.18 3.82 1.01 0.33 -4.58 120.40 121.22 1hvs s VAL 75 Ca 0.38 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1hvs s VAL 75 Cb -0.22 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1hvs s VAL 75 CO 0.25 0.34 0.27 -0.76 0.00 0.00 0.00 175.10 175.20 1hvs s LEU 76 N 0.90 4.21 -0.17 3.92 1.43 0.08 -0.76 118.68 128.30 1hvs s LEU 76 Ca -0.10 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1hvs s LEU 76 Cb -0.15 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1hvs s LEU 76 CO 0.01 0.08 -0.06 -0.69 0.23 0.00 0.00 176.35 175.92 1hvs s VAL 77 N 0.63 3.52 0.08 -1.59 1.01 -0.03 0.26 120.40 124.29 1hvs s VAL 77 Ca 0.14 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1hvs s VAL 77 Cb -0.13 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.75 1hvs s VAL 77 CO 0.03 0.48 0.57 0.61 0.00 0.00 0.00 175.10 176.80 1hvs n GLY 78 N 3.88 0.84 3.50 4.51 0.00 -0.50 0.43 105.19 117.86 1hvs n GLY 78 Ca -0.18 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1hvs n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hvs s PRO 79 N -2.02 3.90 -0.02 1.61 0.04 -1.26 -2.07 135.00 135.17 1hvs s PRO 79 Ca 0.13 -2.08 -0.01 0.00 0.04 0.00 0.00 61.00 59.08 1hvs s PRO 79 Cb -0.01 -5.18 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 1hvs s PRO 79 CO 0.02 -1.94 0.06 -0.08 0.04 0.00 0.00 177.00 175.10 1hvs s THR 80 N 2.88 4.59 0.50 1.26 -1.32 -1.26 -4.99 115.64 117.31 1hvs s THR 80 Ca 0.44 -0.40 0.28 0.00 -1.21 0.00 0.00 61.69 60.80 1hvs s THR 80 Cb -0.01 -3.06 0.45 0.00 -1.51 0.00 0.00 72.50 68.37 1hvs s THR 80 CO -0.01 0.40 1.88 -0.65 -2.21 0.00 0.00 174.62 174.03 1hvs h PRO 81 N 4.33 0.10 -3.23 7.08 0.11 -1.99 -3.45 132.00 134.96 1hvs h PRO 81 Ca -0.50 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1hvs h PRO 81 Cb 1.18 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1hvs h PRO 81 CO 0.60 0.07 -0.38 0.00 -0.21 0.00 0.00 178.00 178.08 1hvs s ALA 82 N -5.10 -0.59 -0.21 -0.75 0.00 -1.26 -5.10 121.76 108.75 1hvs s ALA 82 Ca -0.06 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1hvs s ALA 82 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1hvs s ALA 82 CO 0.77 -0.22 0.76 -0.80 0.00 0.00 0.00 175.76 176.28 1hvs s ASN 83 N -1.12 6.80 -0.08 0.00 0.02 -1.26 -4.64 114.94 114.67 1hvs s ASN 83 Ca -0.12 0.99 0.04 0.00 -1.02 0.00 0.00 52.86 52.74 1hvs s ASN 83 Cb -0.06 -2.41 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1hvs s ASN 83 CO 0.03 -0.41 -0.19 -0.63 0.02 0.00 0.00 177.10 175.91 1hvs s ILE 84 N 2.42 1.67 -0.28 0.60 1.01 -0.46 -0.35 121.20 125.80 1hvs s ILE 84 Ca 0.33 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 1hvs s ILE 84 Cb -0.16 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1hvs s ILE 84 CO 0.09 0.47 0.16 -0.63 0.00 0.00 0.00 174.94 175.04 1hvs s ILE 85 N 0.34 5.03 0.00 2.92 -1.09 0.96 -2.45 121.20 126.91 1hvs s ILE 85 Ca -0.13 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1hvs s ILE 85 Cb -0.16 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1hvs s ILE 85 CO 0.06 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1hvs n GLY 86 N 5.03 2.84 0.29 6.18 0.00 -1.23 -0.63 105.19 117.68 1hvs n GLY 86 Ca -0.14 -2.12 0.19 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 -0.23 1.61 3.08 -0.08 -2.18 114.38 116.57 1hvs h ARG 87 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1hvs h ARG 87 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1hvs h ARG 87 CO 0.00 0.01 0.06 -2.95 -1.07 0.00 0.00 179.97 176.03 1hvs h ASN 88 N 0.00 0.30 0.00 7.04 -1.07 -1.64 -2.99 115.58 117.22 1hvs h ASN 88 Ca -0.00 -0.03 -0.17 0.00 0.07 0.00 0.00 56.30 56.18 1hvs h ASN 88 Cb 0.35 -0.08 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 1hvs h ASN 88 CO 0.00 0.30 -2.11 0.18 0.07 0.00 0.00 177.43 175.87 1hvs n LEU 89 N -4.41 0.00 0.26 6.14 4.77 -1.02 -4.41 117.00 118.32 1hvs n LEU 89 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1hvs n LEU 89 Cb 0.15 0.22 0.69 0.00 -2.33 0.00 0.00 43.42 42.15 1hvs n LEU 89 CO 0.36 0.22 0.97 -0.07 -1.33 0.00 0.00 177.39 177.55 1hvs h LEU 90 N 0.00 0.00 -0.52 2.23 3.38 -1.41 -2.33 115.31 116.66 1hvs h LEU 90 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1hvs h LEU 90 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1hvs h LEU 90 CO 0.01 0.12 -0.36 0.71 0.09 0.00 0.00 178.44 179.02 1hvs h THR 91 N 0.00 0.71 -0.23 0.22 1.35 -1.73 -1.17 112.91 112.06 1hvs h THR 91 Ca -0.00 -1.66 -0.13 0.00 -0.55 0.00 0.00 66.41 64.07 1hvs h THR 91 Cb 0.29 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1hvs h THR 91 CO 0.02 0.35 -0.39 1.56 -0.25 0.00 0.00 175.52 176.80 1hvs h GLN 92 N 0.00 0.52 -0.30 4.72 4.20 -1.64 -2.55 115.11 120.06 1hvs h GLN 92 Ca -0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1hvs h GLN 92 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1hvs h GLN 92 CO 0.05 0.83 0.00 0.44 -0.67 0.00 0.00 178.83 179.47 1hvs n ILE 93 N -4.03 0.40 -3.04 2.54 -5.35 -1.14 -4.94 119.36 103.80 1hvs n ILE 93 Ca -0.02 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 1hvs n ILE 93 Cb 0.50 0.24 0.04 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.04 0.13 3.75 3.28 0.00 -0.96 -5.00 105.19 107.44 1hvs n GLY 94 Ca 0.12 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.24 1.00 -0.14 0.00 -4.23 -1.26 -4.77 115.64 105.99 1hvs s THR 96 Ca 0.37 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 1hvs s THR 96 Cb -0.20 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 1hvs s THR 96 CO 0.22 -0.69 0.26 -0.76 -0.54 0.00 0.00 174.62 173.12 1hvs s LEU 97 N -3.16 4.29 -0.00 4.79 1.43 -1.26 -5.07 118.68 119.69 1hvs s LEU 97 Ca 0.18 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1hvs s LEU 97 Cb 0.04 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1hvs s LEU 97 CO 0.01 0.18 -0.13 0.20 0.23 0.00 0.00 176.35 176.84 1hvs s ASN 98 N 0.05 1.55 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.41 1hvs s ASN 98 Ca 0.16 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.18 1hvs s ASN 98 Cb -0.13 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.94 1hvs s ASN 98 CO 0.04 0.14 0.00 2.22 -2.57 0.00 0.00 177.10 176.93