#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxs s PRO -3 N 0.00 4.21 0.02 1.61 0.04 -1.26 -5.01 135.00 134.61 1wxs s PRO -3 Ca 0.00 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1wxs s PRO -3 Cb 0.00 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.66 1wxs s PRO -3 CO 0.00 -0.77 -0.04 -0.51 0.04 0.00 0.00 177.00 175.71 1wxs s LEU -2 N 3.65 2.14 -0.30 -3.56 1.43 -1.26 -5.13 118.68 115.65 1wxs s LEU -2 Ca 0.68 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 1wxs s LEU -2 Cb -0.30 -0.09 0.18 0.00 0.03 0.00 0.00 46.19 46.01 1wxs s LEU -2 CO 0.26 -0.12 1.07 -0.83 0.23 0.00 0.00 176.35 176.95 1wxs s GLY -1 N -0.88 -0.65 0.29 -3.19 0.00 -1.26 -5.18 107.32 96.46 1wxs s GLY -1 Ca -0.07 2.44 -0.10 0.00 0.00 0.00 0.00 44.72 47.00 1wxs s GLY -1 CO -0.00 4.00 0.50 -0.56 0.00 0.00 0.00 173.10 177.04 1wxs s SER 0 N 2.96 0.21 0.00 1.64 0.01 -1.26 -5.05 113.70 112.21 1wxs s SER 0 Ca 0.14 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1wxs s SER 0 Cb -0.05 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1wxs s SER 0 CO -0.17 -1.23 0.00 1.15 0.41 0.00 0.00 173.24 173.39 1wxs n MET 1 N -0.45 0.00 -3.68 12.44 0.00 -1.26 -5.13 117.12 119.04 1wxs n MET 1 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.58 1wxs n MET 1 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.73 1wxs n MET 1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1wxs s SER 2 N -0.66 -0.36 0.04 3.17 0.01 -1.26 -5.16 113.70 109.48 1wxs s SER 2 Ca 0.00 0.88 -0.04 0.00 1.31 0.00 0.00 55.95 58.10 1wxs s SER 2 Cb 0.00 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 67.12 1wxs s SER 2 CO 0.00 -0.21 0.05 -0.54 0.41 0.00 0.00 173.24 172.95 1wxs s LYS 3 N 1.82 0.56 0.08 12.44 3.01 -1.26 -4.12 119.74 132.26 1wxs s LYS 3 Ca -0.06 -0.85 -0.17 0.00 -1.01 0.00 0.00 55.97 53.87 1wxs s LYS 3 Cb -0.10 0.21 0.04 0.00 -1.01 0.00 0.00 37.83 36.97 1wxs s LYS 3 CO -0.12 -0.13 0.41 0.14 0.51 0.00 0.00 175.35 176.16 1wxs s VAL 4 N -2.79 0.06 -0.34 3.17 -7.23 -0.78 -4.91 120.40 107.59 1wxs s VAL 4 Ca -0.03 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1wxs s VAL 4 Cb -0.00 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 1wxs s VAL 4 CO -0.06 -0.27 0.21 -0.44 -0.31 0.00 0.00 175.10 174.23 1wxs s SER 5 N -2.33 5.83 -0.09 4.85 0.01 -1.26 -0.65 113.70 120.05 1wxs s SER 5 Ca -0.02 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.60 1wxs s SER 5 Cb 0.00 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 1wxs s SER 5 CO -0.06 -0.24 0.25 -0.36 0.41 0.00 0.00 173.24 173.23 1wxs s PHE 6 N 1.66 3.62 -0.31 2.43 0.08 0.86 -4.84 117.98 121.48 1wxs s PHE 6 Ca 0.05 0.68 -0.04 0.00 0.12 0.00 0.00 56.93 57.74 1wxs s PHE 6 Cb -0.17 -2.11 0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1wxs s PHE 6 CO 0.08 0.62 0.04 0.21 -0.10 0.00 0.00 175.22 176.08 1wxs s LYS 7 N -0.79 2.62 -0.33 0.44 2.20 0.24 -0.26 119.74 123.85 1wxs s LYS 7 Ca 0.18 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 54.67 1wxs s LYS 7 Cb -0.14 -3.27 0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1wxs s LYS 7 CO 0.07 -0.59 0.04 0.42 -0.36 0.00 0.00 175.35 174.92 1wxs s ILE 8 N 1.34 2.30 -0.20 5.43 1.01 0.97 -0.76 121.20 131.29 1wxs s ILE 8 Ca -0.03 -2.25 -0.18 0.00 0.00 0.00 0.00 60.65 58.19 1wxs s ILE 8 Cb -0.19 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1wxs s ILE 8 CO 0.00 -0.53 0.50 0.42 0.00 0.00 0.00 174.94 175.33 1wxs s THR 9 N 0.93 5.12 0.08 2.92 -4.23 0.41 -3.66 115.64 117.21 1wxs s THR 9 Ca 0.08 0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 1wxs s THR 9 Cb -0.19 -3.82 -0.28 0.00 1.34 0.00 0.00 72.50 69.54 1wxs s THR 9 CO -0.07 0.19 1.14 0.17 -0.54 0.00 0.00 174.62 175.51 1wxs h LEU 10 N 7.88 0.42 0.00 4.79 -0.00 -1.88 -1.18 115.31 125.33 1wxs h LEU 10 Ca -0.34 -0.45 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 1wxs h LEU 10 Cb 1.16 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 1wxs h LEU 10 CO 0.73 1.35 -0.75 0.41 -0.00 0.00 0.00 178.44 180.19 1wxs n THR 11 N -3.53 0.00 -2.46 0.15 -1.04 -1.26 -4.56 114.28 101.58 1wxs n THR 11 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 1wxs n THR 11 Cb 1.02 -0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 68.98 1wxs n THR 11 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wxs n SER 12 N -1.96 -3.92 -4.88 8.00 2.88 -1.26 -4.93 113.62 107.55 1wxs n SER 12 Ca 0.00 0.18 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 1wxs n SER 12 Cb 0.37 -3.33 0.01 0.00 -0.75 0.00 0.00 64.21 60.52 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 -2.05 6.15 0.29 -3.46 1.11 -1.26 -4.99 116.67 112.48 1wxs s ASP 13 Ca 0.01 1.31 0.07 0.00 0.18 0.00 0.00 52.55 54.13 1wxs s ASP 13 Cb -0.00 -2.38 0.45 0.00 1.07 0.00 0.00 42.92 42.05 1wxs s ASP 13 CO 0.01 -0.87 1.69 1.55 1.18 0.00 0.00 175.17 178.72 1wxs h PRO 14 N -0.27 0.18 0.00 8.23 0.13 -1.96 -3.33 132.00 134.98 1wxs h PRO 14 Ca -0.45 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wxs h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wxs h PRO 14 CO 0.62 0.61 0.00 0.54 -0.23 0.00 0.00 178.00 179.54 1wxs n ARG 15 N -3.99 0.00 -3.33 0.86 1.74 -1.26 -4.79 116.66 105.90 1wxs n ARG 15 Ca -0.02 0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 57.34 1wxs n ARG 15 Cb 0.51 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1wxs n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wxs s LEU 16 N -4.02 3.97 0.00 0.55 1.02 -1.25 -5.11 118.68 113.84 1wxs s LEU 16 Ca 0.00 0.42 -0.02 0.00 0.02 0.00 0.00 54.13 54.55 1wxs s LEU 16 Cb 0.00 -3.28 0.03 0.00 0.02 0.00 0.00 46.19 42.95 1wxs s LEU 16 CO 0.00 -0.35 0.10 -0.81 0.02 0.00 0.00 176.35 175.31 1wxs n PRO 17 N -1.82 -1.20 -3.88 1.29 -0.04 -1.26 -4.33 135.00 123.75 1wxs n PRO 17 Ca -0.04 -0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 1wxs n PRO 17 Cb 0.56 -0.15 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.19 2.76 -0.37 0.54 -0.85 -1.26 -4.64 117.35 112.34 1wxs s TYR 18 Ca 0.07 -0.40 -0.12 0.00 -0.52 0.00 0.00 57.07 56.10 1wxs s TYR 18 Cb -0.01 -1.85 0.02 0.00 0.38 0.00 0.00 41.96 40.50 1wxs s TYR 18 CO 0.05 0.17 0.22 0.15 -1.52 0.00 0.00 175.55 174.62 1wxs s LYS 19 N -3.97 2.98 -0.12 -3.49 -0.14 -1.24 -5.02 119.74 108.75 1wxs s LYS 19 Ca 0.41 -0.98 0.01 0.00 -1.36 0.00 0.00 55.97 54.05 1wxs s LYS 19 Cb -0.03 -3.76 0.02 0.00 -1.68 0.00 0.00 37.83 32.38 1wxs s LYS 19 CO 0.25 -0.65 -0.13 0.54 -0.76 0.00 0.00 175.35 174.60 1wxs s VAL 20 N 1.60 1.40 0.48 3.17 0.11 -1.26 -0.02 120.40 125.87 1wxs s VAL 20 Ca 0.03 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1wxs s VAL 20 Cb -0.19 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1wxs s VAL 20 CO 0.08 0.43 0.01 -1.48 -3.33 0.00 0.00 175.10 170.80 1wxs s LEU 21 N 1.23 2.47 -0.11 2.54 2.34 0.64 -4.97 118.68 122.81 1wxs s LEU 21 Ca -0.02 -1.56 0.02 0.00 0.06 0.00 0.00 54.13 52.63 1wxs s LEU 21 Cb -0.14 -0.77 0.01 0.00 -0.56 0.00 0.00 46.19 44.74 1wxs s LEU 21 CO -0.05 -0.73 -0.17 -0.94 -1.06 0.00 0.00 176.35 173.40 1wxs s SER 22 N -3.82 2.56 0.05 1.48 1.04 -1.26 -0.10 113.70 113.65 1wxs s SER 22 Ca 0.15 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 1wxs s SER 22 Cb 0.04 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1wxs s SER 22 CO 0.08 0.04 0.20 0.68 0.98 0.00 0.00 173.24 175.22 1wxs s VAL 23 N 0.88 0.12 1.18 5.02 -7.23 0.18 -4.92 120.40 115.62 1wxs s VAL 23 Ca -0.08 -0.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.95 1wxs s VAL 23 Cb -0.15 -1.03 0.27 0.00 0.56 0.00 0.00 36.38 36.04 1wxs s VAL 23 CO -0.00 -0.53 1.11 -2.16 -0.31 0.00 0.00 175.10 173.21 1wxs s PRO 24 N -2.91 -1.01 0.01 4.82 0.04 -1.26 -1.86 135.00 132.84 1wxs s PRO 24 Ca -0.02 0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.11 1wxs s PRO 24 Cb 0.01 -1.61 -0.23 0.00 0.04 0.00 0.00 34.50 32.70 1wxs s PRO 24 CO -0.06 -3.58 0.88 1.05 0.04 0.00 0.00 177.00 175.33 1wxs h GLU 25 N -2.49 0.03 -4.08 4.56 4.11 -1.91 -3.41 114.58 111.39 1wxs h GLU 25 Ca -0.46 -0.05 -0.74 0.00 0.07 0.00 0.00 59.36 58.18 1wxs h GLU 25 Cb 1.30 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.42 1wxs h GLU 25 CO 0.37 0.73 1.90 0.43 0.07 0.00 0.00 179.01 182.52 1wxs n SER 26 N -3.19 5.03 -3.48 3.06 7.64 -1.26 -1.54 113.62 119.88 1wxs n SER 26 Ca -0.11 -3.04 -0.15 0.00 1.01 0.00 0.00 58.87 56.58 1wxs n SER 26 Cb 1.01 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 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 1.19 0.00 -0.65 0.44 -1.32 -1.26 -4.98 115.64 109.07 1wxs s THR 27 Ca 0.42 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.64 1wxs s THR 27 Cb 0.06 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1wxs s THR 27 CO 0.00 0.00 1.88 -2.16 -2.21 0.00 0.00 174.62 172.13 1wxs s PRO 28 N -2.33 2.61 0.13 7.08 0.04 -1.26 -0.70 135.00 140.57 1wxs s PRO 28 Ca -0.06 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 1wxs s PRO 28 Cb -0.00 -4.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.01 1wxs s PRO 28 CO -0.00 -2.82 1.58 0.35 0.04 0.00 0.00 177.00 176.15 1wxs h PHE 29 N 14.54 -1.18 -0.30 0.56 3.57 -1.84 -0.56 116.94 131.74 1wxs h PHE 29 Ca -0.22 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.40 1wxs h PHE 29 Cb 1.14 0.53 -0.08 0.00 2.79 0.00 0.00 35.95 40.34 1wxs h PHE 29 CO 1.06 -0.47 -0.27 1.15 -2.23 0.00 0.00 178.31 177.55 1wxs h THR 30 N -0.48 0.33 0.16 4.41 2.02 -1.83 0.24 112.91 117.75 1wxs h THR 30 Ca 0.08 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1wxs h THR 30 Cb 0.62 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1wxs h THR 30 CO -0.39 0.00 -0.53 0.00 0.37 0.00 0.00 175.52 174.97 1wxs h ALA 31 N 0.79 -1.02 -0.55 6.16 0.00 -1.78 0.21 119.26 123.07 1wxs h ALA 31 Ca 0.15 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1wxs h ALA 31 Cb 0.49 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1wxs h ALA 31 CO -0.44 -1.14 0.14 0.28 0.00 0.00 0.00 179.25 178.09 1wxs h VAL 32 N -0.78 0.72 0.22 0.00 2.07 -0.73 0.27 116.25 118.02 1wxs h VAL 32 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1wxs h VAL 32 Cb 0.77 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1wxs h VAL 32 CO -0.27 0.05 -0.14 0.25 0.02 0.00 0.00 177.57 177.49 1wxs h LEU 33 N 0.29 -0.34 -1.73 2.57 5.85 0.00 -1.50 115.31 120.44 1wxs h LEU 33 Ca 0.28 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.25 1wxs h LEU 33 Cb 0.38 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1wxs h LEU 33 CO -0.34 -0.21 0.61 0.07 -0.34 0.00 0.00 178.44 178.23 1wxs h LYS 34 N -0.33 0.21 0.00 1.25 2.10 -0.50 0.39 116.57 119.68 1wxs h LYS 34 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1wxs h LYS 34 Cb 0.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1wxs h LYS 34 CO 0.03 0.14 0.00 0.34 -2.00 0.00 0.00 179.45 177.96 1wxs n PHE 35 N -4.41 0.00 -0.08 0.07 7.35 0.93 -0.73 117.46 120.59 1wxs n PHE 35 Ca 0.19 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1wxs n PHE 35 Cb 0.81 -0.48 -0.02 0.00 0.35 0.00 0.00 39.48 40.14 1wxs n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wxs h ALA 36 N -2.00 0.37 -1.00 3.13 0.00 -0.97 -2.59 119.26 116.20 1wxs h ALA 36 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1wxs h ALA 36 Cb 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 1wxs h ALA 36 CO 0.00 -0.14 0.62 0.00 0.00 0.00 0.00 179.25 179.73 1wxs h ALA 37 N 1.08 1.58 -0.55 0.00 0.00 -0.31 0.13 119.26 121.17 1wxs h ALA 37 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1wxs h ALA 37 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1wxs h ALA 37 CO -0.02 0.10 0.37 1.49 0.00 0.00 0.00 179.25 181.19 1wxs h GLU 38 N 0.88 0.35 -0.01 0.00 4.81 -0.51 0.29 114.58 120.39 1wxs h GLU 38 Ca 0.53 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1wxs h GLU 38 Cb 0.68 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1wxs h GLU 38 CO -0.32 0.23 -0.16 -1.91 -0.73 0.00 0.00 179.01 176.13 1wxs n GLU 39 N -4.47 1.16 -0.77 1.92 4.07 0.38 -3.76 120.64 119.17 1wxs n GLU 39 Ca 0.09 -0.67 0.01 0.00 -0.06 0.00 0.00 57.16 56.53 1wxs n GLU 39 Cb 0.36 -1.49 0.29 0.00 -0.06 0.00 0.00 31.44 30.54 1wxs n GLU 39 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1wxs n PHE 40 N -0.33 1.67 -1.56 4.31 3.72 0.88 -4.91 117.46 121.24 1wxs n PHE 40 Ca 0.15 -1.08 -0.18 0.00 -0.05 0.00 0.00 57.45 56.28 1wxs n PHE 40 Cb 0.35 -0.50 -0.08 0.00 -0.94 0.00 0.00 39.48 38.31 1wxs n PHE 40 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1wxs n LYS 41 N -0.32 -1.28 -3.65 -1.08 3.00 -1.15 -4.89 118.16 108.79 1wxs n LYS 41 Ca 0.31 1.14 -0.29 0.00 -0.00 0.00 0.00 58.31 59.47 1wxs n LYS 41 Cb 1.14 -5.42 -0.12 0.00 0.00 0.00 0.00 35.03 30.62 1wxs n LYS 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1wxs s VAL 42 N -2.69 1.21 0.92 3.15 -7.23 -0.42 -5.05 120.40 110.30 1wxs s VAL 42 Ca 0.00 -2.61 -0.12 0.00 -1.81 0.00 0.00 61.98 57.44 1wxs s VAL 42 Cb 0.00 -1.84 0.14 0.00 0.56 0.00 0.00 36.38 35.24 1wxs s VAL 42 CO 0.00 -0.97 1.09 -2.16 -0.31 0.00 0.00 175.10 172.75 1wxs s PRO 43 N 0.24 1.03 -0.00 4.82 0.04 -1.26 -3.37 135.00 136.50 1wxs s PRO 43 Ca 0.21 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1wxs s PRO 43 Cb -0.18 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1wxs s PRO 43 CO -0.04 -2.38 0.03 0.00 0.04 0.00 0.00 177.00 174.65 1wxs n ALA 44 N -3.96 2.08 0.04 8.56 0.00 -1.26 -3.98 120.51 121.98 1wxs n ALA 44 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1wxs n ALA 44 Cb 0.56 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 0.10 -0.07 0.00 0.00 0.00 -1.97 -3.33 119.26 113.99 1wxs h ALA 45 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1wxs h ALA 45 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wxs h ALA 45 CO 0.00 -0.41 -2.04 0.25 0.00 0.00 0.00 179.25 177.04 1wxs n THR 46 N -5.00 0.40 -3.21 0.00 -2.24 -1.26 -4.98 114.28 97.98 1wxs n THR 46 Ca -0.08 -0.57 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 1wxs n THR 46 Cb 0.16 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -4.64 5.88 0.39 3.42 0.15 -1.25 -4.40 113.70 113.24 1wxs s SER 47 Ca -0.08 0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.69 1wxs s SER 47 Cb 0.11 -1.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.00 1wxs s SER 47 CO 0.82 -0.59 0.11 0.00 1.20 0.00 0.00 173.24 174.79 1wxs s ALA 48 N -2.37 3.43 -0.05 5.45 0.00 0.24 -4.43 121.76 124.01 1wxs s ALA 48 Ca 0.47 -2.07 0.04 0.00 0.00 0.00 0.00 51.96 50.40 1wxs s ALA 48 Cb -0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1wxs s ALA 48 CO 0.35 -0.08 -0.19 0.96 0.00 0.00 0.00 175.76 176.79 1wxs s ILE 49 N -2.58 1.60 0.14 0.00 -4.36 -1.26 -1.31 121.20 113.44 1wxs s ILE 49 Ca 0.38 -0.80 -0.06 0.00 -0.26 0.00 0.00 60.65 59.91 1wxs s ILE 49 Cb 0.03 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.34 1wxs s ILE 49 CO 0.21 0.46 0.19 0.27 0.24 0.00 0.00 174.94 176.31 1wxs s ILE 50 N 0.09 0.09 0.65 8.37 -0.00 -0.47 -4.49 121.20 125.44 1wxs s ILE 50 Ca -0.07 -1.55 -0.08 0.00 -0.00 0.00 0.00 60.65 58.95 1wxs s ILE 50 Cb -0.13 -1.86 0.14 0.00 -0.00 0.00 0.00 42.46 40.61 1wxs s ILE 50 CO 0.03 -0.40 0.88 0.35 -0.00 0.00 0.00 174.94 175.81 1wxs n THR 51 N -0.15 0.00 -0.22 8.37 -2.24 -1.25 -0.34 114.28 118.44 1wxs n THR 51 Ca -0.08 -0.87 0.03 0.00 -2.27 0.00 0.00 64.05 60.86 1wxs n THR 51 Cb 0.63 -1.42 0.14 0.00 -2.10 0.00 0.00 70.33 67.58 1wxs n THR 51 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wxs h ASN 52 N -0.97 0.08 0.94 3.42 4.21 -1.92 0.01 115.58 121.35 1wxs h ASN 52 Ca -0.29 0.12 -0.15 0.00 1.21 0.00 0.00 56.30 57.19 1wxs h ASN 52 Cb 0.87 0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 1wxs h ASN 52 CO 0.23 0.03 -0.72 -0.78 -1.29 0.00 0.00 177.43 174.90 1wxs h ASP 53 N 0.31 0.00 -0.35 5.81 1.82 -1.93 -3.49 116.42 118.59 1wxs h ASP 53 Ca 0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1wxs h ASP 53 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1wxs h ASP 53 CO -0.42 0.72 0.00 0.61 -1.61 0.00 0.00 179.24 178.54 1wxs n GLY 54 N 0.84 0.41 3.07 -0.78 0.00 -0.01 -5.14 105.19 103.58 1wxs n GLY 54 Ca -0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1wxs n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxs s ILE 55 N -0.10 0.62 0.72 -0.61 1.01 -1.26 -4.83 121.20 116.74 1wxs s ILE 55 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 1wxs s ILE 55 Cb 0.00 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.85 1wxs s ILE 55 CO 0.00 -0.29 1.14 -0.83 0.00 0.00 0.00 174.94 174.96 1wxs s GLY 56 N -1.42 2.12 0.03 6.18 0.00 -1.26 -3.83 107.32 109.14 1wxs s GLY 56 Ca -0.07 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.30 1wxs s GLY 56 CO 0.01 1.00 -0.08 -1.50 0.00 0.00 0.00 173.10 172.53 1wxs s ILE 57 N -2.32 0.59 -0.46 0.90 1.10 -1.26 -5.00 121.20 114.74 1wxs s ILE 57 Ca 0.69 -0.86 -0.20 0.00 -0.51 0.00 0.00 60.65 59.77 1wxs s ILE 57 Cb -0.23 -0.60 0.04 0.00 0.15 0.00 0.00 42.46 41.82 1wxs s ILE 57 CO 0.46 -0.21 0.61 0.20 -2.11 0.00 0.00 174.94 173.89 1wxs s ASN 58 N -1.17 6.26 0.00 4.50 -0.87 -1.26 -4.91 114.94 117.49 1wxs s ASN 58 Ca -0.05 -0.62 0.14 0.00 -1.57 0.00 0.00 52.86 50.76 1wxs s ASN 58 Cb -0.08 -2.29 0.70 0.00 -0.02 0.00 0.00 41.25 39.56 1wxs s ASN 58 CO 0.00 -0.80 1.41 -0.81 -2.57 0.00 0.00 177.10 174.33 1wxs n PRO 59 N 6.14 0.16 -0.09 -0.60 -0.04 -1.26 -2.36 135.00 136.96 1wxs n PRO 59 Ca -0.04 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1wxs n PRO 59 Cb 0.47 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.33 2.50 -2.38 0.55 0.00 -1.26 -4.43 120.51 114.15 1wxs n ALA 60 Ca 0.06 -0.38 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 1wxs n ALA 60 Cb 0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1wxs n ALA 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wxs s GLN 61 N -1.77 2.31 0.45 0.00 -0.21 -0.99 -5.11 119.66 114.33 1wxs s GLN 61 Ca 0.21 -1.86 0.03 0.00 0.02 0.00 0.00 55.36 53.76 1wxs s GLN 61 Cb 0.11 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 32.02 1wxs s GLN 61 CO 0.16 -0.34 0.65 0.95 -2.12 0.00 0.00 175.29 174.59 1wxs s THR 62 N -2.65 3.56 0.42 -0.19 -4.23 -1.26 -3.79 115.64 107.50 1wxs s THR 62 Ca 0.38 -0.69 0.19 0.00 -1.18 0.00 0.00 61.69 60.40 1wxs s THR 62 Cb -0.00 -3.29 0.40 0.00 1.34 0.00 0.00 72.50 70.94 1wxs s THR 62 CO 0.22 -0.18 1.82 0.00 -0.54 0.00 0.00 174.62 175.95 1wxs h ALA 63 N 0.43 2.28 0.08 3.99 0.00 -0.62 -1.09 119.26 124.33 1wxs h ALA 63 Ca -0.44 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wxs h ALA 63 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wxs h ALA 63 CO 0.54 -0.62 -0.04 0.78 0.00 0.00 0.00 179.25 179.91 1wxs h GLY 64 N 0.37 -0.11 1.17 0.00 0.00 -1.50 0.32 103.07 103.32 1wxs h GLY 64 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1wxs h GLY 64 CO -0.21 -0.04 0.52 3.43 0.00 0.00 0.00 176.54 180.24 1wxs h ASN 65 N -0.36 0.98 1.26 0.19 4.21 -1.52 0.74 115.58 121.07 1wxs h ASN 65 Ca -0.01 -0.04 -0.10 0.00 1.21 0.00 0.00 56.30 57.36 1wxs h ASN 65 Cb 0.31 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1wxs h ASN 65 CO 0.02 0.73 -0.48 0.58 -1.29 0.00 0.00 177.43 176.99 1wxs h VAL 66 N 1.14 0.89 0.00 2.81 2.07 -1.19 -1.84 116.25 120.13 1wxs h VAL 66 Ca 0.30 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.68 1wxs h VAL 66 Cb -0.08 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1wxs h VAL 66 CO -0.06 0.47 -0.61 0.15 0.02 0.00 0.00 177.57 177.53 1wxs h PHE 67 N 0.00 0.00 0.00 1.57 3.04 0.52 -3.03 116.94 119.05 1wxs h PHE 67 Ca -0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 1wxs h PHE 67 Cb 1.23 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 1wxs h PHE 67 CO 0.00 0.53 -0.74 1.25 -2.02 0.00 0.00 178.31 177.33 1wxs h LEU 68 N 0.00 0.00 0.13 0.59 5.85 -0.85 -1.56 115.31 119.47 1wxs h LEU 68 Ca -0.02 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1wxs h LEU 68 Cb 1.42 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 1wxs h LEU 68 CO 0.07 1.18 -0.34 0.50 -0.34 0.00 0.00 178.44 179.51 1wxs h LYS 69 N -1.00 -0.55 0.00 1.25 1.63 -1.48 -3.32 116.57 113.09 1wxs h LYS 69 Ca -0.18 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1wxs h LYS 69 Cb 1.01 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1wxs h LYS 69 CO -0.11 -0.37 -0.13 0.45 -3.45 0.00 0.00 179.45 175.84 1wxs h HIS 70 N -0.57 0.00 0.00 1.91 3.86 -1.73 -3.50 115.15 115.11 1wxs h HIS 70 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1wxs h HIS 70 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1wxs h HIS 70 CO -0.30 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.90 1wxs n GLY 71 N 1.75 1.77 0.00 2.45 0.00 -0.59 -4.87 105.19 105.70 1wxs n GLY 71 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -4.59 1.61 2.88 -1.26 -4.53 113.62 107.73 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 3.62 0.01 -1.46 1.03 -1.26 -0.59 118.70 120.04 1wxs s GLU 73 Ca 0.00 0.40 -0.03 0.00 0.03 0.00 0.00 54.97 55.37 1wxs s GLU 73 Cb 0.00 -3.96 -0.01 0.00 -0.80 0.00 0.00 34.13 29.36 1wxs s GLU 73 CO 0.00 -1.52 0.03 -0.48 -1.33 0.00 0.00 175.26 171.97 1wxs s LEU 74 N 4.66 1.97 0.18 1.83 0.05 0.06 -3.68 118.68 123.75 1wxs s LEU 74 Ca 0.45 -0.34 0.06 0.00 0.05 0.00 0.00 54.13 54.35 1wxs s LEU 74 Cb -0.07 0.29 -0.05 0.00 -2.05 0.00 0.00 46.19 44.31 1wxs s LEU 74 CO 0.29 -0.29 -0.10 0.00 -0.55 0.00 0.00 176.35 175.69 1wxs s ARG 75 N -1.27 1.21 -0.01 1.48 1.70 0.54 -0.44 118.95 122.16 1wxs s ARG 75 Ca -0.14 -1.54 0.07 0.00 -0.47 0.00 0.00 55.73 53.64 1wxs s ARG 75 Cb -0.08 -0.83 -0.02 0.00 -0.57 0.00 0.00 34.95 33.45 1wxs s ARG 75 CO -0.00 0.09 -0.21 -1.50 -1.08 0.00 0.00 175.30 172.60 1wxs s ILE 76 N -3.19 1.68 0.03 4.99 2.07 -0.44 -1.37 121.20 124.96 1wxs s ILE 76 Ca 0.21 -0.95 -0.27 0.00 -1.41 0.00 0.00 60.65 58.23 1wxs s ILE 76 Cb 0.02 -1.41 0.09 0.00 0.13 0.00 0.00 42.46 41.30 1wxs s ILE 76 CO 0.04 0.44 0.82 0.27 -1.91 0.00 0.00 174.94 174.60 1wxs s ILE 77 N -0.54 0.00 0.42 2.00 -4.36 -0.43 -4.66 121.20 113.64 1wxs s ILE 77 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 60.65 60.23 1wxs s ILE 77 Cb -0.08 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.55 1wxs s ILE 77 CO -0.00 0.00 1.17 -2.16 0.24 0.00 0.00 174.94 174.19 1wxs s PRO 78 N -3.09 3.97 -0.20 0.37 0.04 -1.26 -0.59 135.00 134.24 1wxs s PRO 78 Ca 0.03 1.83 0.16 0.00 0.04 0.00 0.00 61.00 63.06 1wxs s PRO 78 Cb -0.01 -2.61 -0.24 0.00 0.04 0.00 0.00 34.50 31.69 1wxs s PRO 78 CO -0.09 -0.39 0.03 -2.13 0.04 0.00 0.00 177.00 174.47 1wxs n ARG 79 N -0.07 0.74 -4.08 4.56 0.63 -1.26 -4.75 116.66 112.43 1wxs n ARG 79 Ca 0.05 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.87 1wxs n ARG 79 Cb 0.47 -1.51 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 1wxs n ARG 79 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wxs s ASP 80 N -5.56 0.41 0.01 6.15 1.11 -1.26 -5.09 116.67 112.43 1wxs s ASP 80 Ca -0.13 -1.26 -0.15 0.00 0.18 0.00 0.00 52.55 51.19 1wxs s ASP 80 Cb 0.06 0.58 0.02 0.00 1.07 0.00 0.00 42.92 44.66 1wxs s ASP 80 CO 0.79 -1.15 0.32 0.00 1.18 0.00 0.00 175.17 176.30 1wxs s ARG 81 N -3.62 0.73 0.00 8.23 1.70 -1.26 -4.95 118.95 119.78 1wxs s ARG 81 Ca 0.29 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1wxs s ARG 81 Cb 0.01 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1wxs s ARG 81 CO 0.15 -0.22 0.00 0.28 -1.08 0.00 0.00 175.30 174.43 1wxs n VAL 82 N 1.01 0.00 -0.86 4.99 0.31 -1.26 -5.30 118.33 117.22 1wxs n VAL 82 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1wxs n VAL 82 Cb 0.57 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1wxs n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12