#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxs h PRO -3 N 0.00 0.33 -7.31 1.61 0.13 -2.07 -3.46 132.00 121.23 1wxs h PRO -3 Ca 0.00 -0.17 -0.46 0.00 -0.87 0.00 0.00 66.00 64.50 1wxs h PRO -3 Cb 0.00 0.01 0.10 0.00 0.13 0.00 0.00 31.00 31.23 1wxs h PRO -3 CO 0.00 0.72 0.20 -0.51 -0.23 0.00 0.00 178.00 178.19 1wxs s LEU -2 N -9.10 2.90 -0.80 1.56 1.43 -1.26 -4.64 118.68 108.76 1wxs s LEU -2 Ca -0.14 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1wxs s LEU -2 Cb 0.05 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1wxs s LEU -2 CO 0.75 -1.93 0.69 0.61 0.23 0.00 0.00 176.35 176.70 1wxs n GLY -1 N -3.03 -0.52 2.83 -3.19 0.00 -1.26 -5.05 105.19 94.97 1wxs n GLY -1 Ca 0.13 0.27 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 1wxs n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxs s SER 0 N -3.45 0.28 -0.91 1.61 0.01 -1.26 -5.07 113.70 104.92 1wxs s SER 0 Ca 0.26 -0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.36 1wxs s SER 0 Cb -0.03 -0.14 0.19 0.00 0.21 0.00 0.00 66.02 66.25 1wxs s SER 0 CO 0.55 -0.08 0.96 -0.04 0.41 0.00 0.00 173.24 175.04 1wxs s MET 1 N 0.77 3.68 0.46 12.44 -1.94 -1.26 -4.92 119.30 128.52 1wxs s MET 1 Ca -0.07 -2.28 0.00 0.00 -1.71 0.00 0.00 55.69 51.63 1wxs s MET 1 Cb -0.10 -4.65 0.00 0.00 2.01 0.00 0.00 34.83 32.09 1wxs s MET 1 CO -0.02 -1.48 0.00 0.45 -0.01 0.00 0.00 175.02 173.96 1wxs n SER 2 N 4.87 -6.44 -3.93 3.03 2.88 -1.26 -3.85 113.62 108.93 1wxs n SER 2 Ca 0.19 1.39 -0.09 0.00 -1.33 0.00 0.00 58.87 59.04 1wxs n SER 2 Cb 0.47 -3.72 -0.08 0.00 -0.75 0.00 0.00 64.21 60.12 1wxs n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wxs s LYS 3 N -4.88 0.72 0.19 -1.46 1.02 -1.26 -0.91 119.74 113.16 1wxs s LYS 3 Ca 0.00 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 1wxs s LYS 3 Cb 0.00 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1wxs s LYS 3 CO 0.00 -0.20 0.41 0.14 -0.92 0.00 0.00 175.35 174.79 1wxs s VAL 4 N -3.54 0.04 0.31 3.17 -7.23 -0.70 -4.87 120.40 107.57 1wxs s VAL 4 Ca 0.03 -1.12 -0.15 0.00 -1.81 0.00 0.00 61.98 58.93 1wxs s VAL 4 Cb 0.04 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 1wxs s VAL 4 CO -0.09 -0.18 0.71 -0.44 -0.31 0.00 0.00 175.10 174.79 1wxs s SER 5 N -2.93 6.77 0.11 4.85 0.01 -1.26 -1.22 113.70 120.02 1wxs s SER 5 Ca 0.14 1.24 0.02 0.00 1.31 0.00 0.00 55.95 58.67 1wxs s SER 5 Cb 0.01 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1wxs s SER 5 CO -0.00 -0.18 -0.07 0.12 0.41 0.00 0.00 173.24 173.52 1wxs s PHE 6 N -1.94 0.98 -0.18 2.43 5.36 0.61 -4.85 117.98 120.39 1wxs s PHE 6 Ca 0.53 -0.89 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1wxs s PHE 6 Cb -0.11 -0.55 0.02 0.00 -0.34 0.00 0.00 43.02 42.04 1wxs s PHE 6 CO 0.18 -0.11 -0.19 0.15 -1.46 0.00 0.00 175.22 173.80 1wxs s LYS 7 N -3.82 3.01 -0.23 10.12 1.02 -0.01 -0.19 119.74 129.64 1wxs s LYS 7 Ca 0.13 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.31 1wxs s LYS 7 Cb 0.05 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1wxs s LYS 7 CO -0.03 -0.21 -0.07 -1.50 -0.92 0.00 0.00 175.35 172.62 1wxs s ILE 8 N 1.30 1.61 -0.25 2.17 2.07 0.57 -0.87 121.20 127.80 1wxs s ILE 8 Ca 0.05 -1.24 -0.06 0.00 -1.41 0.00 0.00 60.65 57.99 1wxs s ILE 8 Cb -0.13 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.60 1wxs s ILE 8 CO -0.12 -0.06 0.04 0.42 -1.91 0.00 0.00 174.94 173.31 1wxs s THR 9 N 1.36 4.01 -0.16 4.00 -4.23 -0.38 -3.49 115.64 116.75 1wxs s THR 9 Ca -0.06 -0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.28 1wxs s THR 9 Cb -0.19 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1wxs s THR 9 CO -0.06 0.32 1.24 0.17 -0.54 0.00 0.00 174.62 175.75 1wxs h LEU 10 N 8.20 0.00 0.00 4.79 8.10 -1.88 -1.26 115.31 133.27 1wxs h LEU 10 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.61 1wxs h LEU 10 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1wxs h LEU 10 CO 0.59 0.47 -0.08 0.35 -4.11 0.00 0.00 178.44 175.66 1wxs n THR 11 N -3.08 0.00 -2.37 0.15 -2.24 -1.26 -4.64 114.28 100.83 1wxs n THR 11 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1wxs n THR 11 Cb 0.75 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1wxs n THR 11 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wxs n SER 12 N -1.59 -3.98 -4.70 3.42 2.88 -1.26 -4.91 113.62 103.49 1wxs n SER 12 Ca 0.00 0.19 -0.31 0.00 -1.33 0.00 0.00 58.87 57.42 1wxs n SER 12 Cb 0.04 -3.39 0.15 0.00 -0.75 0.00 0.00 64.21 60.25 1wxs n SER 12 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wxs s ASP 13 N -2.03 3.34 0.43 -3.46 1.11 -1.26 -4.93 116.67 109.87 1wxs s ASP 13 Ca 0.00 2.02 0.22 0.00 0.18 0.00 0.00 52.55 54.97 1wxs s ASP 13 Cb 0.00 -2.53 0.93 0.00 1.07 0.00 0.00 42.92 42.40 1wxs s ASP 13 CO 0.00 -2.81 1.85 1.55 1.18 0.00 0.00 175.17 176.94 1wxs h PRO 14 N -1.66 0.00 0.24 8.23 0.13 -1.97 -3.31 132.00 133.65 1wxs h PRO 14 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1wxs h PRO 14 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wxs h PRO 14 CO 0.45 0.27 -0.11 0.00 -0.23 0.00 0.00 178.00 178.38 1wxs h ARG 15 N 0.00 -0.30 -6.20 0.86 3.08 -2.01 -3.45 114.38 106.36 1wxs h ARG 15 Ca -0.00 0.02 -0.47 0.00 0.07 0.00 0.00 59.98 59.60 1wxs h ARG 15 Cb 0.70 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1wxs h ARG 15 CO 0.04 -0.20 -0.45 -0.51 -1.07 0.00 0.00 179.97 177.77 1wxs s LEU 16 N -5.47 4.18 0.00 3.04 1.02 -1.25 -5.12 118.68 115.09 1wxs s LEU 16 Ca -0.05 -0.02 -0.21 0.00 0.02 0.00 0.00 54.13 53.87 1wxs s LEU 16 Cb 0.00 -2.73 0.31 0.00 0.02 0.00 0.00 46.19 43.79 1wxs s LEU 16 CO 0.14 -0.08 1.10 -0.81 0.02 0.00 0.00 176.35 176.71 1wxs n PRO 17 N -1.37 -3.19 -2.54 1.29 -0.04 -1.26 -4.30 135.00 123.59 1wxs n PRO 17 Ca -0.08 -1.75 -0.25 0.00 -0.04 0.00 0.00 63.50 61.37 1wxs n PRO 17 Cb 0.57 -1.65 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1wxs n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1wxs s TYR 18 N -2.98 3.21 -0.19 0.54 -0.85 -1.26 -4.73 117.35 111.09 1wxs s TYR 18 Ca 0.71 0.50 -0.08 0.00 -0.52 0.00 0.00 57.07 57.69 1wxs s TYR 18 Cb -0.07 -2.65 -0.04 0.00 0.38 0.00 0.00 41.96 39.57 1wxs s TYR 18 CO 0.55 -0.74 0.08 0.15 -1.52 0.00 0.00 175.55 174.07 1wxs s LYS 19 N -4.88 4.00 -0.11 -3.49 -0.14 -1.23 -5.04 119.74 108.85 1wxs s LYS 19 Ca 0.53 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.85 1wxs s LYS 19 Cb -0.10 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.77 1wxs s LYS 19 CO 0.43 0.24 -0.23 0.54 -0.76 0.00 0.00 175.35 175.57 1wxs s VAL 20 N 0.48 2.12 -0.02 3.17 0.11 -1.26 -0.32 120.40 124.68 1wxs s VAL 20 Ca 0.04 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1wxs s VAL 20 Cb -0.12 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 1wxs s VAL 20 CO 0.00 0.56 -0.07 -0.22 -3.33 0.00 0.00 175.10 172.04 1wxs s LEU 21 N 0.39 1.84 -0.01 2.54 0.20 0.73 -4.90 118.68 119.47 1wxs s LEU 21 Ca -0.17 -0.14 -0.08 0.00 0.69 0.00 0.00 54.13 54.43 1wxs s LEU 21 Cb -0.18 -0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 45.12 1wxs s LEU 21 CO 0.08 0.06 0.27 -0.94 -0.29 0.00 0.00 176.35 175.53 1wxs s SER 22 N 0.10 6.53 0.07 3.68 1.04 -1.26 -0.28 113.70 123.57 1wxs s SER 22 Ca -0.01 0.61 -0.12 0.00 0.48 0.00 0.00 55.95 56.91 1wxs s SER 22 Cb -0.06 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1wxs s SER 22 CO -0.00 0.28 0.26 0.68 0.98 0.00 0.00 173.24 175.44 1wxs s VAL 23 N -1.23 0.11 0.97 5.02 -7.23 -0.36 -4.87 120.40 112.81 1wxs s VAL 23 Ca 0.25 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 1wxs s VAL 23 Cb -0.13 -1.10 0.17 0.00 0.56 0.00 0.00 36.38 35.87 1wxs s VAL 23 CO 0.14 -0.48 1.09 -2.16 -0.31 0.00 0.00 175.10 173.38 1wxs s PRO 24 N -3.18 0.67 -0.01 4.82 0.04 -1.26 -1.73 135.00 134.35 1wxs s PRO 24 Ca -0.00 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1wxs s PRO 24 Cb 0.01 -1.76 -0.26 0.00 0.04 0.00 0.00 34.50 32.54 1wxs s PRO 24 CO -0.07 -2.59 0.81 1.49 0.04 0.00 0.00 177.00 176.67 1wxs h GLU 25 N -1.80 0.17 -3.85 4.56 4.81 -1.17 -3.35 114.58 113.96 1wxs h GLU 25 Ca -0.53 -0.29 -0.77 0.00 -0.13 0.00 0.00 59.36 57.64 1wxs h GLU 25 Cb 1.31 0.11 -0.20 0.00 0.63 0.00 0.00 28.75 30.60 1wxs h GLU 25 CO 0.56 0.98 1.37 0.43 -0.73 0.00 0.00 179.01 181.62 1wxs n SER 26 N -3.36 5.41 -3.47 1.04 7.64 -1.25 -2.30 113.62 117.34 1wxs n SER 26 Ca -0.16 -3.10 -0.14 0.00 1.01 0.00 0.00 58.87 56.47 1wxs n SER 26 Cb 1.03 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 1wxs n SER 26 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wxs s THR 27 N 0.04 0.00 -0.28 0.44 -1.32 -1.26 -4.80 115.64 108.46 1wxs s THR 27 Ca 0.38 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.55 1wxs s THR 27 Cb 0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1wxs s THR 27 CO 0.01 -0.01 1.65 -2.16 -2.21 0.00 0.00 174.62 171.90 1wxs s PRO 28 N -2.81 3.62 0.05 7.08 0.04 -1.26 -1.29 135.00 140.44 1wxs s PRO 28 Ca -0.03 1.51 -0.33 0.00 0.04 0.00 0.00 61.00 62.19 1wxs s PRO 28 Cb -0.01 -4.09 -0.19 0.00 0.04 0.00 0.00 34.50 30.26 1wxs s PRO 28 CO -0.05 -1.51 1.48 0.35 0.04 0.00 0.00 177.00 177.32 1wxs h PHE 29 N 11.43 -0.93 -0.75 0.56 3.57 -1.87 -0.57 116.94 128.38 1wxs h PHE 29 Ca -0.33 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.30 1wxs h PHE 29 Cb 1.15 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 40.10 1wxs h PHE 29 CO 0.93 -0.56 0.27 0.00 -2.23 0.00 0.00 178.31 176.72 1wxs h THR 30 N -1.09 0.62 0.71 4.41 1.03 -1.88 0.12 112.91 116.82 1wxs h THR 30 Ca -0.10 -0.13 -0.03 0.00 -0.01 0.00 0.00 66.41 66.13 1wxs h THR 30 Cb 0.79 0.19 0.01 0.00 -1.07 0.00 0.00 68.15 68.07 1wxs h THR 30 CO 0.17 0.07 -0.34 0.00 -0.01 0.00 0.00 175.52 175.41 1wxs h ALA 31 N 1.56 -1.17 -0.66 0.00 0.00 -1.92 -0.76 119.26 116.31 1wxs h ALA 31 Ca 0.41 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1wxs h ALA 31 Cb 0.65 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1wxs h ALA 31 CO -0.43 -1.10 0.07 0.28 0.00 0.00 0.00 179.25 178.07 1wxs h VAL 32 N -1.02 0.50 0.07 0.00 2.07 -0.75 0.30 116.25 117.42 1wxs h VAL 32 Ca -0.10 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1wxs h VAL 32 Cb 0.73 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wxs h VAL 32 CO 0.16 0.03 -0.04 0.25 0.02 0.00 0.00 177.57 177.99 1wxs h LEU 33 N 0.18 -0.10 -1.75 2.57 5.85 -0.74 -1.83 115.31 119.49 1wxs h LEU 33 Ca 0.36 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.39 1wxs h LEU 33 Cb 0.59 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1wxs h LEU 33 CO -0.52 -0.06 0.77 0.07 -0.34 0.00 0.00 178.44 178.36 1wxs h LYS 34 N -0.10 0.14 0.37 1.25 2.10 -0.92 0.47 116.57 119.89 1wxs h LYS 34 Ca -0.01 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1wxs h LYS 34 Cb 0.08 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1wxs h LYS 34 CO 0.01 0.10 -0.18 0.35 -2.00 0.00 0.00 179.45 177.73 1wxs h PHE 35 N 0.15 -0.46 -0.07 0.07 3.57 -0.08 -0.40 116.94 119.71 1wxs h PHE 35 Ca 0.57 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1wxs h PHE 35 Cb 1.95 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.84 1wxs h PHE 35 CO -0.00 -0.29 -0.00 0.00 -2.23 0.00 0.00 178.31 175.79 1wxs h ALA 36 N -1.76 0.09 -1.00 2.41 0.00 -0.61 -3.00 119.26 115.40 1wxs h ALA 36 Ca -0.05 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.91 1wxs h ALA 36 Cb 0.38 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1wxs h ALA 36 CO 0.08 -0.23 0.63 0.00 0.00 0.00 0.00 179.25 179.74 1wxs h ALA 37 N 0.72 2.00 -0.72 0.00 0.00 -0.17 0.28 119.26 121.36 1wxs h ALA 37 Ca 0.02 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1wxs h ALA 37 Cb 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1wxs h ALA 37 CO 0.00 -0.38 0.48 1.49 0.00 0.00 0.00 179.25 180.85 1wxs h GLU 38 N 0.54 0.57 0.00 0.00 4.22 -0.91 0.67 114.58 119.67 1wxs h GLU 38 Ca 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1wxs h GLU 38 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wxs h GLU 38 CO -0.32 0.38 -0.74 -1.91 -2.18 0.00 0.00 179.01 174.24 1wxs n GLU 39 N -4.49 0.25 -1.02 1.92 2.13 0.87 -3.99 120.64 116.32 1wxs n GLU 39 Ca 0.12 0.05 -0.22 0.00 0.66 0.00 0.00 57.16 57.77 1wxs n GLU 39 Cb 0.36 -1.63 0.09 0.00 0.27 0.00 0.00 31.44 30.53 1wxs n GLU 39 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1wxs n PHE 40 N -1.98 2.33 -4.22 4.31 3.01 0.14 -4.86 117.46 116.19 1wxs n PHE 40 Ca 0.03 -2.04 -0.36 0.00 1.01 0.00 0.00 57.45 56.09 1wxs n PHE 40 Cb 0.42 -1.01 -0.06 0.00 -0.01 0.00 0.00 39.48 38.83 1wxs n PHE 40 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1wxs n LYS 41 N -0.48 -1.34 -3.13 -1.08 2.85 -1.19 -4.85 118.16 108.95 1wxs n LYS 41 Ca 0.45 0.16 -0.16 0.00 -1.05 0.00 0.00 58.31 57.71 1wxs n LYS 41 Cb 0.96 -4.75 -0.05 0.00 -0.65 0.00 0.00 35.03 30.54 1wxs n LYS 41 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1wxs s VAL 42 N -3.08 -0.33 1.02 0.58 -7.23 -0.65 -5.07 120.40 105.64 1wxs s VAL 42 Ca 0.71 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1wxs s VAL 42 Cb -0.41 -0.63 0.20 0.00 0.56 0.00 0.00 36.38 36.10 1wxs s VAL 42 CO 0.87 -0.62 1.09 -2.16 -0.31 0.00 0.00 175.10 173.98 1wxs s PRO 43 N 0.62 0.26 -0.01 4.82 0.04 -1.26 -4.03 135.00 135.45 1wxs s PRO 43 Ca 0.29 0.45 0.04 0.00 0.04 0.00 0.00 61.00 61.82 1wxs s PRO 43 Cb -0.01 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 1wxs s PRO 43 CO -0.11 -2.83 0.10 0.00 0.04 0.00 0.00 177.00 174.19 1wxs n ALA 44 N -4.24 2.18 0.04 8.56 0.00 -1.26 -3.85 120.51 121.94 1wxs n ALA 44 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1wxs n ALA 44 Cb 0.58 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1wxs n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxs h ALA 45 N 0.39 -0.07 0.00 0.00 0.00 -1.99 -3.31 119.26 114.27 1wxs h ALA 45 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1wxs h ALA 45 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wxs h ALA 45 CO 0.00 -0.42 -1.96 0.25 0.00 0.00 0.00 179.25 177.12 1wxs n THR 46 N -5.01 0.68 -3.36 0.00 -2.24 -1.26 -4.97 114.28 98.12 1wxs n THR 46 Ca -0.08 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 1wxs n THR 46 Cb 0.16 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1wxs n THR 46 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wxs s SER 47 N -5.09 5.56 0.28 3.42 0.15 -1.25 -4.32 113.70 112.44 1wxs s SER 47 Ca -0.07 -0.44 0.10 0.00 0.70 0.00 0.00 55.95 56.24 1wxs s SER 47 Cb 0.10 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1wxs s SER 47 CO 0.86 -0.59 -0.03 0.00 1.20 0.00 0.00 173.24 174.67 1wxs s ALA 48 N -2.32 3.11 -0.36 5.45 0.00 0.69 -4.35 121.76 123.97 1wxs s ALA 48 Ca 0.49 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 1wxs s ALA 48 Cb -0.08 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 22.48 1wxs s ALA 48 CO 0.30 0.25 0.11 0.42 0.00 0.00 0.00 175.76 176.84 1wxs s ILE 49 N -2.37 2.86 -0.07 0.00 1.01 -1.26 -1.61 121.20 119.75 1wxs s ILE 49 Ca 0.32 -2.02 0.03 0.00 0.00 0.00 0.00 60.65 58.97 1wxs s ILE 49 Cb -0.06 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1wxs s ILE 49 CO 0.19 -0.53 -0.14 0.27 0.00 0.00 0.00 174.94 174.73 1wxs s ILE 50 N 1.08 3.08 1.33 2.92 -4.36 -0.89 -3.73 121.20 120.63 1wxs s ILE 50 Ca 0.06 -0.70 -0.20 0.00 -0.26 0.00 0.00 60.65 59.55 1wxs s ILE 50 Cb -0.21 -2.23 0.34 0.00 1.25 0.00 0.00 42.46 41.61 1wxs s ILE 50 CO -0.05 0.58 0.97 0.42 0.24 0.00 0.00 174.94 177.10 1wxs s THR 51 N -0.49 1.47 0.54 8.37 -4.23 -1.21 -1.96 115.64 118.13 1wxs s THR 51 Ca 0.06 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.86 1wxs s THR 51 Cb -0.12 -2.11 0.44 0.00 1.34 0.00 0.00 72.50 72.05 1wxs s THR 51 CO 0.02 0.00 1.94 -1.13 -0.54 0.00 0.00 174.62 174.91 1wxs h ASN 52 N -3.13 0.00 0.88 3.99 -1.24 -1.91 0.26 115.58 114.43 1wxs h ASN 52 Ca -0.49 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.29 1wxs h ASN 52 Cb 1.34 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.36 1wxs h ASN 52 CO 0.36 0.00 -1.10 -0.78 -1.29 0.00 0.00 177.43 174.62 1wxs h ASP 53 N 0.00 0.10 -0.16 1.15 3.58 -1.89 -3.49 116.42 115.70 1wxs h ASP 53 Ca 0.34 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1wxs h ASP 53 Cb 1.37 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1wxs h ASP 53 CO -0.00 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 1wxs n GLY 54 N 1.41 0.68 3.28 -0.78 0.00 0.90 -5.15 105.19 105.52 1wxs n GLY 54 Ca -0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1wxs n GLY 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wxs s ILE 55 N -0.74 0.04 1.06 -0.61 2.07 -1.26 -4.87 121.20 116.88 1wxs s ILE 55 Ca 0.00 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 58.75 1wxs s ILE 55 Cb 0.00 -0.63 0.04 0.00 0.13 0.00 0.00 42.46 42.00 1wxs s ILE 55 CO 0.00 -0.17 -0.10 0.61 -1.91 0.00 0.00 174.94 173.37 1wxs n GLY 56 N 1.63 -2.55 3.36 1.50 0.00 -1.26 -3.30 105.19 104.57 1wxs n GLY 56 Ca -0.19 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1wxs n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wxs s ILE 57 N -2.24 1.94 -0.66 -0.61 2.07 -1.24 -4.81 121.20 115.64 1wxs s ILE 57 Ca 0.53 -2.06 -0.12 0.00 -1.41 0.00 0.00 60.65 57.60 1wxs s ILE 57 Cb -0.12 -1.97 0.17 0.00 0.13 0.00 0.00 42.46 40.66 1wxs s ILE 57 CO 0.67 -0.37 0.57 0.20 -1.91 0.00 0.00 174.94 174.11 1wxs s ASN 58 N -2.92 6.17 0.00 4.50 -0.87 -1.26 -4.90 114.94 115.66 1wxs s ASN 58 Ca 0.20 -2.37 0.14 0.00 -1.57 0.00 0.00 52.86 49.26 1wxs s ASN 58 Cb -0.05 -2.11 0.64 0.00 -0.02 0.00 0.00 41.25 39.72 1wxs s ASN 58 CO 0.08 -0.63 1.44 -0.81 -2.57 0.00 0.00 177.10 174.61 1wxs n PRO 59 N 4.36 0.06 -3.17 -0.60 -0.04 -1.26 -4.05 135.00 130.30 1wxs n PRO 59 Ca 0.02 0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 63.27 1wxs n PRO 59 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1wxs n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxs n ALA 60 N -1.44 4.73 -3.83 0.55 0.00 -1.26 -4.48 120.51 114.78 1wxs n ALA 60 Ca 0.04 -4.74 0.14 0.00 0.00 0.00 0.00 53.44 48.89 1wxs n ALA 60 Cb 0.15 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.26 1wxs n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wxs n GLN 61 N 1.92 0.14 -3.11 0.00 6.02 -1.26 -5.13 117.38 115.96 1wxs n GLN 61 Ca 0.25 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.30 1wxs n GLN 61 Cb 0.36 1.04 -0.05 0.00 1.02 0.00 0.00 30.24 32.60 1wxs n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wxs s THR 62 N -2.04 4.73 0.09 5.09 -4.23 -1.26 -4.27 115.64 113.75 1wxs s THR 62 Ca 0.25 0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 61.30 1wxs s THR 62 Cb -0.01 -3.63 -0.12 0.00 1.34 0.00 0.00 72.50 70.08 1wxs s THR 62 CO -0.01 -0.24 1.46 0.00 -0.54 0.00 0.00 174.62 175.29 1wxs h ALA 63 N 2.08 -0.94 -0.79 3.99 0.00 -1.19 0.28 119.26 122.69 1wxs h ALA 63 Ca -0.48 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.50 1wxs h ALA 63 Cb 1.18 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 1wxs h ALA 63 CO 0.65 -1.04 0.28 0.78 0.00 0.00 0.00 179.25 179.92 1wxs h GLY 64 N -0.64 1.20 0.91 0.00 0.00 -1.59 0.71 103.07 103.66 1wxs h GLY 64 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1wxs h GLY 64 CO -0.23 -0.18 0.10 3.43 0.00 0.00 0.00 176.54 179.66 1wxs h ASN 65 N 0.37 0.47 -0.36 0.19 2.35 -1.66 -0.75 115.58 116.19 1wxs h ASN 65 Ca 0.45 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1wxs h ASN 65 Cb 0.76 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1wxs h ASN 65 CO -0.48 0.55 0.24 0.58 -1.65 0.00 0.00 177.43 176.67 1wxs h VAL 66 N 0.37 1.09 -0.70 2.81 2.07 0.92 0.23 116.25 123.04 1wxs h VAL 66 Ca 0.10 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1wxs h VAL 66 Cb 0.24 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1wxs h VAL 66 CO -0.00 0.09 0.26 -0.26 0.02 0.00 0.00 177.57 177.68 1wxs h PHE 67 N 0.49 1.09 -0.10 1.57 0.04 -0.82 -1.75 116.94 117.46 1wxs h PHE 67 Ca 0.13 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1wxs h PHE 67 Cb -0.05 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 37.77 1wxs h PHE 67 CO -0.05 0.85 -0.02 1.25 -0.60 0.00 0.00 178.31 179.74 1wxs h LEU 68 N 1.01 0.19 -1.55 1.54 6.46 -0.78 0.28 115.31 122.46 1wxs h LEU 68 Ca 0.23 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1wxs h LEU 68 Cb 0.24 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1wxs h LEU 68 CO -0.02 0.51 0.00 0.11 -0.62 0.00 0.00 178.44 178.43 1wxs h LYS 69 N -0.13 0.00 0.00 1.25 6.56 -0.45 -1.52 116.57 122.29 1wxs h LYS 69 Ca 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1wxs h LYS 69 Cb 0.43 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 1wxs h LYS 69 CO 0.01 0.00 -0.23 0.72 -2.06 0.00 0.00 179.45 177.89 1wxs n HIS 70 N -2.48 0.00 0.00 -1.35 8.25 -0.67 -5.04 115.22 113.93 1wxs n HIS 70 Ca -0.01 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 1wxs n HIS 70 Cb 0.11 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1wxs n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wxs n GLY 71 N -1.12 1.40 0.00 -1.41 0.00 0.93 -3.90 105.19 101.09 1wxs n GLY 71 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1wxs n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wxs n SER 72 N 3.56 0.00 -4.64 1.61 2.88 -1.15 -4.21 113.62 111.68 1wxs n SER 72 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1wxs n SER 72 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wxs n SER 72 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wxs s GLU 73 N 0.00 4.00 -0.03 -1.46 -1.05 -1.25 -0.83 118.70 118.08 1wxs s GLU 73 Ca 0.00 1.19 -0.00 0.00 -0.15 0.00 0.00 54.97 56.01 1wxs s GLU 73 Cb 0.00 -3.81 0.03 0.00 -0.44 0.00 0.00 34.13 29.91 1wxs s GLU 73 CO 0.00 -1.00 0.02 -1.17 0.95 0.00 0.00 175.26 174.06 1wxs s LEU 74 N 4.00 0.87 0.26 1.83 2.96 -0.05 -3.39 118.68 125.16 1wxs s LEU 74 Ca 0.51 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1wxs s LEU 74 Cb -0.15 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 1wxs s LEU 74 CO 0.19 -0.15 0.11 -0.13 -1.32 0.00 0.00 176.35 175.05 1wxs s ARG 75 N 1.37 2.64 -0.02 1.98 0.52 -0.83 -1.25 118.95 123.36 1wxs s ARG 75 Ca -0.05 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1wxs s ARG 75 Cb -0.13 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 1wxs s ARG 75 CO -0.03 0.39 -0.15 0.42 0.02 0.00 0.00 175.30 175.95 1wxs s ILE 76 N -2.21 1.22 -0.00 1.52 1.01 -0.47 -2.09 121.20 120.18 1wxs s ILE 76 Ca 0.32 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1wxs s ILE 76 Cb -0.07 -1.04 0.10 0.00 0.01 0.00 0.00 42.46 41.46 1wxs s ILE 76 CO 0.23 0.35 0.88 0.27 0.00 0.00 0.00 174.94 176.67 1wxs s ILE 77 N -0.15 0.00 0.50 2.92 -4.36 -0.63 -4.62 121.20 114.85 1wxs s ILE 77 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.19 1wxs s ILE 77 Cb -0.08 -1.00 -0.07 0.00 1.25 0.00 0.00 42.46 42.56 1wxs s ILE 77 CO 0.00 0.00 1.15 -2.16 0.24 0.00 0.00 174.94 174.17 1wxs s PRO 78 N -3.11 3.58 0.35 0.37 0.04 -1.26 -0.22 135.00 134.75 1wxs s PRO 78 Ca 0.05 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1wxs s PRO 78 Cb -0.01 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1wxs s PRO 78 CO -0.09 -0.68 0.06 0.50 0.04 0.00 0.00 177.00 176.83 1wxs s ARG 79 N -2.96 1.74 1.33 4.56 3.52 -1.26 -4.73 118.95 121.16 1wxs s ARG 79 Ca 0.68 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.28 1wxs s ARG 79 Cb -0.26 -0.92 0.00 0.00 -1.56 0.00 0.00 34.95 32.20 1wxs s ARG 79 CO 0.31 -0.23 0.00 -0.25 -0.81 0.00 0.00 175.30 174.32 1wxs n ASP 80 N -0.83 -5.48 -4.01 -2.12 8.00 -1.26 -4.53 116.55 106.32 1wxs n ASP 80 Ca -0.04 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.44 1wxs n ASP 80 Cb 0.66 -0.88 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 1wxs n ASP 80 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wxs s ARG 81 N -0.48 2.23 1.09 -1.24 3.52 -1.26 -5.10 118.95 117.71 1wxs s ARG 81 Ca 0.00 -2.58 -0.12 0.00 -0.13 0.00 0.00 55.73 52.90 1wxs s ARG 81 Cb 0.00 -3.50 0.24 0.00 -1.56 0.00 0.00 34.95 30.13 1wxs s ARG 81 CO 0.00 -1.13 1.06 0.14 -0.81 0.00 0.00 175.30 174.55 1wxs s VAL 82 N -0.18 2.09 -2.74 7.11 -7.23 -1.26 -5.32 120.40 112.87 1wxs s VAL 82 Ca 0.17 0.03 0.22 0.00 -1.81 0.00 0.00 61.98 60.59 1wxs s VAL 82 Cb -0.23 -2.17 0.17 0.00 0.56 0.00 0.00 36.38 34.71 1wxs s VAL 82 CO -0.02 -0.04 1.19 0.61 -0.31 0.00 0.00 175.10 176.54