#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 2.49 0.85 1.61 0.04 -1.26 -4.94 135.00 133.80 1wxs s PRO -3 Ca 0.00 -1.12 -0.10 0.00 0.04 0.00 0.00 61.00 59.81 1wxs s PRO -3 Cb 0.00 -5.23 0.15 0.00 0.04 0.00 0.00 34.50 29.46 1wxs s PRO -3 CO 0.00 -3.96 1.19 -0.51 0.04 0.00 0.00 177.00 173.75 1wxs s LEU -2 N 11.01 2.78 0.00 -3.56 1.02 -1.26 -5.10 118.68 123.56 1wxs s LEU -2 Ca 0.69 0.17 0.00 0.00 0.02 0.00 0.00 54.13 55.01 1wxs s LEU -2 Cb -0.01 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1wxs s LEU -2 CO 0.13 -2.29 0.00 0.61 0.02 0.00 0.00 176.35 174.82 1wxs n GLY -1 N -3.38 3.30 3.24 -3.19 0.00 -1.26 -5.10 105.19 98.81 1wxs n GLY -1 Ca 0.14 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1wxs n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxs s SER 0 N 0.00 6.07 0.00 1.61 1.04 -1.26 -4.66 113.70 116.50 1wxs s SER 0 Ca 0.00 -2.47 0.00 0.00 0.48 0.00 0.00 55.95 53.96 1wxs s SER 0 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1wxs s SER 0 CO 0.00 -0.58 0.00 0.23 0.98 0.00 0.00 173.24 173.87 1wxs n MET 1 N 4.19 0.00 -0.85 4.02 2.81 -1.26 -4.96 117.12 121.06 1wxs n MET 1 Ca 0.04 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.95 1wxs n MET 1 Cb 0.42 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 33.11 1wxs n MET 1 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1wxs n SER 2 N -2.40 2.14 -4.74 7.83 7.64 -1.26 -5.07 113.62 117.76 1wxs n SER 2 Ca 0.00 -3.80 -0.37 0.00 1.01 0.00 0.00 58.87 55.71 1wxs n SER 2 Cb 0.00 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1wxs n SER 2 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wxs s LYS 3 N -3.17 2.88 -0.09 1.43 2.20 -1.26 -3.45 119.74 118.28 1wxs s LYS 3 Ca 0.40 2.04 -0.30 0.00 -0.36 0.00 0.00 55.97 57.74 1wxs s LYS 3 Cb 0.38 -2.01 0.10 0.00 -1.51 0.00 0.00 37.83 34.78 1wxs s LYS 3 CO -0.06 -1.33 0.82 0.54 -0.36 0.00 0.00 175.35 174.96 1wxs s VAL 4 N -1.42 0.00 0.31 4.02 0.11 -1.16 -4.92 120.40 117.33 1wxs s VAL 4 Ca 0.77 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.58 1wxs s VAL 4 Cb -0.36 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.39 1wxs s VAL 4 CO 0.40 0.00 0.90 -0.44 -3.33 0.00 0.00 175.10 172.63 1wxs s SER 5 N -1.21 7.27 -0.14 3.54 0.01 -1.26 -0.37 113.70 121.54 1wxs s SER 5 Ca -0.06 1.75 -0.03 0.00 1.31 0.00 0.00 55.95 58.92 1wxs s SER 5 Cb -0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1wxs s SER 5 CO 0.06 -0.06 0.04 0.12 0.41 0.00 0.00 173.24 173.81 1wxs s PHE 6 N -1.61 0.68 -0.28 2.43 2.19 -0.86 -4.76 117.98 115.77 1wxs s PHE 6 Ca 0.49 -0.45 -0.27 0.00 0.33 0.00 0.00 56.93 57.03 1wxs s PHE 6 Cb -0.18 -0.85 0.01 0.00 -1.31 0.00 0.00 43.02 40.69 1wxs s PHE 6 CO 0.23 -0.47 0.97 0.15 1.83 0.00 0.00 175.22 177.93 1wxs s LYS 7 N 1.97 4.13 -0.37 10.12 1.02 0.13 -0.08 119.74 136.65 1wxs s LYS 7 Ca 0.02 1.05 0.01 0.00 0.02 0.00 0.00 55.97 57.07 1wxs s LYS 7 Cb -0.15 -3.69 0.12 0.00 -0.52 0.00 0.00 37.83 33.59 1wxs s LYS 7 CO -0.07 -0.72 0.16 -1.50 -0.92 0.00 0.00 175.35 172.31 1wxs s ILE 8 N 3.25 1.25 -0.33 2.17 2.07 0.63 -0.78 121.20 129.46 1wxs s ILE 8 Ca 0.41 -2.03 -0.16 0.00 -1.41 0.00 0.00 60.65 57.46 1wxs s ILE 8 Cb -0.14 -1.91 -0.02 0.00 0.13 0.00 0.00 42.46 40.53 1wxs s ILE 8 CO 0.11 -0.77 0.40 0.42 -1.91 0.00 0.00 174.94 173.18 1wxs s THR 9 N 0.95 5.13 0.27 4.00 -4.23 -0.35 -3.94 115.64 117.48 1wxs s THR 9 Ca 0.14 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1wxs s THR 9 Cb -0.21 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 69.83 1wxs s THR 9 CO -0.11 -0.06 1.67 0.17 -0.54 0.00 0.00 174.62 175.75 1wxs h LEU 10 N 8.80 0.36 0.00 4.79 8.10 -1.89 -0.95 115.31 134.52 1wxs h LEU 10 Ca -0.30 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.52 1wxs h LEU 10 Cb 1.14 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 41.26 1wxs h LEU 10 CO 0.70 0.73 -1.14 0.41 -4.11 0.00 0.00 178.44 175.03 1wxs n THR 11 N -4.03 0.08 -0.95 0.15 -1.04 -1.26 -4.30 114.28 102.93 1wxs n THR 11 Ca -0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1wxs n THR 11 Cb 0.49 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.82 -3.81 0.00 8.00 2.88 -1.25 -4.67 113.62 112.94 1wxs n SER 12 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1wxs n SER 12 Cb 0.30 -2.00 0.00 0.00 -0.75 0.00 0.00 64.21 61.77 1wxs n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wxs n ASP 13 N -0.45 0.00 0.21 -3.46 5.68 -1.26 -5.03 116.55 112.24 1wxs n ASP 13 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.36 1wxs n ASP 13 Cb 0.22 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.64 1wxs n ASP 13 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wxs h PRO 14 N 0.00 0.00 0.00 0.11 0.13 -1.83 -3.44 132.00 126.97 1wxs h PRO 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wxs h PRO 14 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wxs h PRO 14 CO 0.00 0.30 0.00 -2.13 -0.23 0.00 0.00 178.00 175.94 1wxs n ARG 15 N -3.64 0.00 0.03 0.86 0.00 -1.26 -5.04 116.66 107.61 1wxs n ARG 15 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1wxs n ARG 15 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 1wxs n ARG 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1wxs n LEU 16 N 0.00 -0.45 0.00 6.15 4.77 -1.26 -5.16 117.00 121.05 1wxs n LEU 16 Ca 0.00 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1wxs n LEU 16 Cb 0.00 0.79 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1wxs n LEU 16 CO 0.00 0.02 0.00 -0.81 -1.33 0.00 0.00 177.39 175.27 1wxs n PRO 17 N -2.80 -0.56 -3.94 3.23 -0.04 -1.26 -4.96 135.00 124.66 1wxs n PRO 17 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1wxs n PRO 17 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.77 0.22 -0.22 0.54 -0.85 -1.26 -4.48 117.35 110.52 1wxs s TYR 18 Ca 0.00 -0.64 -0.09 0.00 -0.52 0.00 0.00 57.07 55.83 1wxs s TYR 18 Cb 0.00 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1wxs s TYR 18 CO 0.00 -1.15 0.10 0.15 -1.52 0.00 0.00 175.55 173.13 1wxs s LYS 19 N -3.71 3.92 -0.04 -3.49 -0.14 -1.25 -5.04 119.74 109.98 1wxs s LYS 19 Ca 0.19 -0.35 -0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1wxs s LYS 19 Cb -0.03 -3.37 0.03 0.00 -1.68 0.00 0.00 37.83 32.77 1wxs s LYS 19 CO 0.10 0.05 0.01 0.54 -0.76 0.00 0.00 175.35 175.29 1wxs s VAL 20 N 1.01 0.20 -0.12 3.17 0.11 -1.26 -0.27 120.40 123.23 1wxs s VAL 20 Ca 0.05 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1wxs s VAL 20 Cb -0.14 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1wxs s VAL 20 CO 0.03 0.19 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.07 1wxs s LEU 21 N 1.47 1.76 -0.03 2.54 1.43 0.89 -4.91 118.68 121.82 1wxs s LEU 21 Ca -0.03 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 1wxs s LEU 21 Cb -0.13 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1wxs s LEU 21 CO -0.03 0.01 0.59 -0.94 0.23 0.00 0.00 176.35 176.20 1wxs s SER 22 N 1.09 6.93 0.08 2.29 1.04 -1.26 -2.02 113.70 121.85 1wxs s SER 22 Ca -0.04 1.10 -0.19 0.00 0.48 0.00 0.00 55.95 57.30 1wxs s SER 22 Cb -0.14 -2.36 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1wxs s SER 22 CO -0.04 0.06 0.46 0.68 0.98 0.00 0.00 173.24 175.38 1wxs s VAL 23 N 0.05 0.05 1.17 5.02 -7.23 0.50 -4.91 120.40 115.05 1wxs s VAL 23 Ca 0.31 -0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1wxs s VAL 23 Cb -0.18 -1.03 0.27 0.00 0.56 0.00 0.00 36.38 36.01 1wxs s VAL 23 CO 0.16 -0.21 1.11 -2.16 -0.31 0.00 0.00 175.10 173.69 1wxs s PRO 24 N -2.98 -1.00 -0.03 4.82 0.04 -1.26 -3.01 135.00 131.58 1wxs s PRO 24 Ca -0.02 0.00 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1wxs s PRO 24 Cb 0.00 -1.62 -0.28 0.00 0.04 0.00 0.00 34.50 32.64 1wxs s PRO 24 CO -0.06 -3.58 0.72 1.05 0.04 0.00 0.00 177.00 175.17 1wxs h GLU 25 N -2.49 0.28 -1.09 4.56 4.11 -1.90 -3.33 114.58 114.72 1wxs h GLU 25 Ca -0.46 -0.47 0.30 0.00 0.07 0.00 0.00 59.36 58.80 1wxs h GLU 25 Cb 1.30 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 1wxs h GLU 25 CO 0.37 1.14 0.76 1.03 0.07 0.00 0.00 179.01 182.38 1wxs h SER 26 N 0.08 0.17 -3.83 3.06 0.87 -1.94 -1.48 113.55 110.47 1wxs h SER 26 Ca -0.30 0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 59.78 1wxs h SER 26 Cb 2.04 0.01 0.03 0.00 -0.44 0.00 0.00 62.40 64.04 1wxs h SER 26 CO 0.15 0.03 0.54 0.28 -0.53 0.00 0.00 176.83 177.30 1wxs s THR 27 N -5.16 3.21 -0.05 2.23 -1.32 -1.25 -4.82 115.64 108.48 1wxs s THR 27 Ca -0.06 1.21 -0.30 0.00 -1.21 0.00 0.00 61.69 61.33 1wxs s THR 27 Cb 0.24 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.40 1wxs s THR 27 CO 0.80 0.29 1.50 -2.16 -2.21 0.00 0.00 174.62 172.84 1wxs s PRO 28 N -1.54 4.22 0.10 7.08 0.04 -1.26 -1.37 135.00 142.26 1wxs s PRO 28 Ca 0.46 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.28 1wxs s PRO 28 Cb -0.35 -3.79 -0.13 0.00 0.04 0.00 0.00 34.50 30.28 1wxs s PRO 28 CO 0.45 -0.73 1.70 0.35 0.04 0.00 0.00 177.00 178.81 1wxs h PHE 29 N 8.67 -0.28 0.20 0.56 3.57 -1.84 -1.28 116.94 126.54 1wxs h PHE 29 Ca -0.36 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.15 1wxs h PHE 29 Cb 1.16 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1wxs h PHE 29 CO 0.82 -0.17 -0.47 1.15 -2.23 0.00 0.00 178.31 177.41 1wxs h THR 30 N -0.25 0.08 -0.36 4.41 2.02 -1.85 0.28 112.91 117.24 1wxs h THR 30 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1wxs h THR 30 Cb 0.23 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.64 1wxs h THR 30 CO -0.03 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.63 1wxs h ALA 31 N -0.42 -0.02 -0.79 6.16 0.00 -1.91 -0.76 119.26 121.52 1wxs h ALA 31 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wxs h ALA 31 Cb 0.75 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1wxs h ALA 31 CO -0.22 -0.62 0.49 0.28 0.00 0.00 0.00 179.25 179.17 1wxs h VAL 32 N -0.19 1.05 0.22 0.00 2.07 -0.85 0.16 116.25 118.72 1wxs h VAL 32 Ca 0.18 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1wxs h VAL 32 Cb 0.46 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1wxs h VAL 32 CO -0.47 0.17 -0.15 0.25 0.02 0.00 0.00 177.57 177.39 1wxs h LEU 33 N 0.91 -0.39 -0.67 2.57 7.12 0.91 -1.38 115.31 124.37 1wxs h LEU 33 Ca 0.34 0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.47 1wxs h LEU 33 Cb 0.12 0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.30 1wxs h LEU 33 CO -0.16 -0.23 0.30 0.07 -0.13 0.00 0.00 178.44 178.30 1wxs h LYS 34 N -0.36 0.49 -0.00 1.25 2.10 -1.18 0.49 116.57 119.36 1wxs h LYS 34 Ca -0.03 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1wxs h LYS 34 Cb 0.29 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1wxs h LYS 34 CO 0.02 0.32 -0.00 0.35 -2.00 0.00 0.00 179.45 178.14 1wxs h PHE 35 N 0.50 -0.00 -0.34 0.07 3.57 -0.60 -1.56 116.94 118.59 1wxs h PHE 35 Ca 0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1wxs h PHE 35 Cb 0.40 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1wxs h PHE 35 CO -0.14 -0.00 0.17 0.00 -2.23 0.00 0.00 178.31 176.11 1wxs h ALA 36 N -1.48 1.67 -0.67 2.41 0.00 -1.13 -2.64 119.26 117.41 1wxs h ALA 36 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1wxs h ALA 36 Cb 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 1wxs h ALA 36 CO -0.00 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.64 1wxs h ALA 37 N 1.72 0.79 -0.78 0.00 0.00 0.54 0.27 119.26 121.79 1wxs h ALA 37 Ca 0.12 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.35 1wxs h ALA 37 Cb 0.04 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1wxs h ALA 37 CO -0.02 -0.35 0.52 1.49 0.00 0.00 0.00 179.25 180.89 1wxs h GLU 38 N 0.22 0.44 -0.00 0.00 4.81 -0.91 0.32 114.58 119.45 1wxs h GLU 38 Ca 0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1wxs h GLU 38 Cb 0.60 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1wxs h GLU 38 CO -0.50 0.29 -0.52 -1.91 -0.73 0.00 0.00 179.01 175.65 1wxs n GLU 39 N -4.49 0.09 -0.51 1.92 2.13 0.63 -3.81 120.64 116.60 1wxs n GLU 39 Ca 0.15 -0.05 0.05 0.00 0.66 0.00 0.00 57.16 57.97 1wxs n GLU 39 Cb 0.53 -1.50 0.25 0.00 0.27 0.00 0.00 31.44 31.00 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 -1.41 1.21 -1.34 4.31 3.01 0.10 -4.86 117.46 118.48 1wxs n PHE 40 Ca 0.06 -0.44 -0.12 0.00 1.01 0.00 0.00 57.45 57.97 1wxs n PHE 40 Cb 0.34 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.47 1wxs n PHE 40 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wxs n LYS 41 N 0.51 -1.03 -4.38 -1.08 4.81 -1.14 -4.86 118.16 111.00 1wxs n LYS 41 Ca 0.18 0.88 -0.22 0.00 -0.87 0.00 0.00 58.31 58.28 1wxs n LYS 41 Cb 0.77 -4.95 -0.11 0.00 0.02 0.00 0.00 35.03 30.76 1wxs n LYS 41 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1wxs s VAL 42 N -2.32 2.01 0.89 3.15 -7.23 -0.65 -5.06 120.40 111.19 1wxs s VAL 42 Ca 0.00 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 1wxs s VAL 42 Cb 0.00 -2.03 0.13 0.00 0.56 0.00 0.00 36.38 35.04 1wxs s VAL 42 CO 0.00 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.34 1wxs s PRO 43 N -3.16 1.28 -0.18 4.82 0.04 -1.26 -3.09 135.00 133.45 1wxs s PRO 43 Ca 0.21 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.00 1wxs s PRO 43 Cb -0.05 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 1wxs s PRO 43 CO 0.09 -2.23 -0.23 0.00 0.04 0.00 0.00 177.00 174.67 1wxs n ALA 44 N -3.88 1.87 -0.06 8.56 0.00 -1.26 -4.41 120.51 121.32 1wxs n ALA 44 Ca 0.07 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 1wxs n ALA 44 Cb 0.55 0.27 -0.13 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.62 0.13 -0.63 0.00 0.00 -1.95 -3.36 119.26 112.82 1wxs h ALA 45 Ca -0.45 -0.88 -0.47 0.00 0.00 0.00 0.00 54.91 53.12 1wxs h ALA 45 Cb 1.39 0.37 -0.19 0.00 0.00 0.00 0.00 17.79 19.36 1wxs h ALA 45 CO -0.27 0.42 0.55 0.25 0.00 0.00 0.00 179.25 180.20 1wxs n THR 46 N -4.41 3.14 -3.60 0.00 -2.24 -1.26 -4.93 114.28 100.98 1wxs n THR 46 Ca -0.21 -2.41 -0.22 0.00 -2.27 0.00 0.00 64.05 58.95 1wxs n THR 46 Cb 0.64 -1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 1wxs n THR 46 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wxs s SER 47 N -0.27 4.97 -0.11 3.42 1.04 -1.26 -4.09 113.70 117.41 1wxs s SER 47 Ca 0.46 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1wxs s SER 47 Cb 0.34 -0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1wxs s SER 47 CO -0.09 -0.75 0.01 0.00 0.98 0.00 0.00 173.24 173.39 1wxs s ALA 48 N -2.53 0.84 -0.61 5.32 0.00 0.98 -4.50 121.76 121.26 1wxs s ALA 48 Ca 0.47 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1wxs s ALA 48 Cb -0.03 -0.89 0.11 0.00 0.00 0.00 0.00 23.12 22.31 1wxs s ALA 48 CO 0.27 -0.67 0.71 0.42 0.00 0.00 0.00 175.76 176.49 1wxs s ILE 49 N 1.92 4.85 0.06 0.00 1.01 -1.26 -1.44 121.20 126.34 1wxs s ILE 49 Ca 0.03 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1wxs s ILE 49 Cb -0.14 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1wxs s ILE 49 CO -0.06 -1.13 -0.08 0.27 0.00 0.00 0.00 174.94 173.94 1wxs s ILE 50 N 2.58 3.53 0.56 2.92 -4.36 -0.82 -3.90 121.20 121.71 1wxs s ILE 50 Ca 0.12 -1.03 -0.01 0.00 -0.26 0.00 0.00 60.65 59.47 1wxs s ILE 50 Cb -0.23 -2.60 0.11 0.00 1.25 0.00 0.00 42.46 40.99 1wxs s ILE 50 CO 0.05 0.24 0.77 0.35 0.24 0.00 0.00 174.94 176.58 1wxs n THR 51 N 1.07 0.00 0.25 8.37 -2.24 -1.25 -0.82 114.28 119.67 1wxs n THR 51 Ca -0.14 -1.17 0.18 0.00 -2.27 0.00 0.00 64.05 60.65 1wxs n THR 51 Cb 0.52 -1.04 0.90 0.00 -2.10 0.00 0.00 70.33 68.62 1wxs n THR 51 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1wxs h ASN 52 N -0.49 0.00 -0.34 3.42 -1.24 -1.91 0.22 115.58 115.23 1wxs h ASN 52 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1wxs h ASN 52 Cb 0.92 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1wxs h ASN 52 CO 0.27 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.88 1wxs n ASP 53 N -3.57 3.70 -2.97 1.15 8.00 -1.26 -5.03 116.55 116.56 1wxs n ASP 53 Ca -0.00 -2.59 -0.06 0.00 0.71 0.00 0.00 54.79 52.85 1wxs n ASP 53 Cb 0.26 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.93 1wxs n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wxs n GLY 54 N 0.07 -2.03 3.22 0.44 0.00 0.77 -5.04 105.19 102.61 1wxs n GLY 54 Ca 0.18 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.58 0.02 0.49 -0.61 1.01 -1.26 -4.83 121.20 114.45 1wxs s ILE 55 Ca 0.08 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1wxs s ILE 55 Cb -0.02 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 1wxs s ILE 55 CO 0.56 -0.11 0.87 0.61 0.00 0.00 0.00 174.94 176.86 1wxs n GLY 56 N 2.24 -0.59 3.79 6.18 0.00 -1.26 -3.85 105.19 111.70 1wxs n GLY 56 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.44 4.40 -0.66 -0.61 2.07 -1.25 -4.98 121.20 118.73 1wxs s ILE 57 Ca 0.68 -1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.61 1wxs s ILE 57 Cb -0.50 -3.28 0.17 0.00 0.13 0.00 0.00 42.46 38.98 1wxs s ILE 57 CO 0.54 -0.17 0.57 0.20 -1.91 0.00 0.00 174.94 174.17 1wxs s ASN 58 N -3.27 6.17 0.00 4.50 0.02 -1.26 -4.90 114.94 116.21 1wxs s ASN 58 Ca 0.31 -2.38 0.14 0.00 -1.02 0.00 0.00 52.86 49.91 1wxs s ASN 58 Cb -0.09 -2.11 0.61 0.00 0.02 0.00 0.00 41.25 39.68 1wxs s ASN 58 CO 0.23 -0.62 1.44 -0.81 0.02 0.00 0.00 177.10 177.36 1wxs n PRO 59 N 4.34 0.02 -2.48 -0.60 -0.04 -1.26 -3.93 135.00 131.05 1wxs n PRO 59 Ca 0.03 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 1wxs n PRO 59 Cb 0.43 -1.50 0.01 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 -1.48 5.81 -3.71 0.55 0.00 -1.26 -4.52 120.51 115.90 1wxs n ALA 60 Ca 0.04 -4.44 0.12 0.00 0.00 0.00 0.00 53.44 49.16 1wxs n ALA 60 Cb 0.16 -2.62 0.01 0.00 0.00 0.00 0.00 19.45 17.00 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 1.94 0.12 -3.31 0.00 6.02 -1.25 -5.11 117.38 115.78 1wxs n GLN 61 Ca 0.43 -0.54 -0.25 0.00 -0.01 0.00 0.00 57.00 56.63 1wxs n GLN 61 Cb 0.31 0.90 -0.01 0.00 1.02 0.00 0.00 30.24 32.45 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 -2.05 5.08 0.31 5.09 -4.23 -1.26 -4.07 115.64 114.50 1wxs s THR 62 Ca 0.21 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1wxs s THR 62 Cb -0.01 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.30 1wxs s THR 62 CO -0.00 -0.54 1.77 0.00 -0.54 0.00 0.00 174.62 175.30 1wxs h ALA 63 N 0.89 1.70 0.30 3.99 0.00 -0.10 -1.04 119.26 125.00 1wxs h ALA 63 Ca -0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1wxs h ALA 63 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wxs h ALA 63 CO 0.62 -0.09 -0.14 0.78 0.00 0.00 0.00 179.25 180.42 1wxs h GLY 64 N 0.73 -0.42 0.88 0.00 0.00 -1.78 0.27 103.07 102.76 1wxs h GLY 64 Ca 0.59 0.16 0.03 0.00 0.00 0.00 0.00 47.33 48.10 1wxs h GLY 64 CO -0.40 -0.15 0.39 3.43 0.00 0.00 0.00 176.54 179.81 1wxs h ASN 65 N -0.43 0.63 0.69 0.19 4.21 -1.67 -1.04 115.58 118.16 1wxs h ASN 65 Ca -0.04 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.41 1wxs h ASN 65 Cb 0.33 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1wxs h ASN 65 CO 0.07 0.44 -0.27 0.58 -1.29 0.00 0.00 177.43 176.96 1wxs h VAL 66 N 0.76 0.75 -0.13 2.81 2.07 -1.09 0.23 116.25 121.65 1wxs h VAL 66 Ca 0.25 -1.13 -0.22 0.00 0.82 0.00 0.00 66.70 66.42 1wxs h VAL 66 Cb 0.01 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1wxs h VAL 66 CO -0.10 0.26 -0.79 0.15 0.02 0.00 0.00 177.57 177.12 1wxs h PHE 67 N 0.00 1.00 0.00 1.57 3.57 0.66 -2.98 116.94 120.76 1wxs h PHE 67 Ca -0.00 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1wxs h PHE 67 Cb 0.69 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1wxs h PHE 67 CO 0.00 1.27 -0.66 -0.11 -2.23 0.00 0.00 178.31 176.58 1wxs n LEU 68 N -3.92 0.60 0.04 0.59 0.00 -0.50 -1.68 117.00 112.13 1wxs n LEU 68 Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 56.01 55.84 1wxs n LEU 68 Cb 0.75 -0.19 -0.06 0.00 0.00 0.00 0.00 43.42 43.92 1wxs n LEU 68 CO 0.52 0.10 0.27 0.11 0.00 0.00 0.00 177.39 178.40 1wxs h LYS 69 N 0.00 -0.19 0.00 1.96 1.79 -0.53 -3.41 116.57 116.19 1wxs h LYS 69 Ca 0.00 0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 1wxs h LYS 69 Cb 0.58 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1wxs h LYS 69 CO 0.00 0.17 -1.89 0.72 -1.08 0.00 0.00 179.45 177.37 1wxs n HIS 70 N -4.89 0.00 0.00 -1.35 8.25 -1.13 -5.08 115.22 111.03 1wxs n HIS 70 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1wxs n HIS 70 Cb 0.22 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 2.56 3.79 0.43 -1.41 0.00 -0.68 -4.85 105.19 105.02 1wxs n GLY 71 Ca -0.26 -1.51 0.24 0.00 0.00 0.00 0.00 46.02 44.50 1wxs n GLY 71 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wxs h SER 72 N 0.00 0.00 -2.39 1.61 0.87 -1.83 -3.37 113.55 108.43 1wxs h SER 72 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1wxs h SER 72 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1wxs h SER 72 CO 0.00 0.00 1.21 -1.83 -0.53 0.00 0.00 176.83 175.68 1wxs s GLU 73 N -4.85 3.02 0.15 2.24 -1.05 -1.26 0.18 118.70 117.12 1wxs s GLU 73 Ca -0.05 0.48 -0.02 0.00 -0.15 0.00 0.00 54.97 55.23 1wxs s GLU 73 Cb 0.19 -4.24 -0.04 0.00 -0.44 0.00 0.00 34.13 29.60 1wxs s GLU 73 CO 0.68 -2.28 0.11 -0.48 0.95 0.00 0.00 175.26 174.24 1wxs s LEU 74 N 7.27 1.51 0.09 1.83 0.05 0.04 -3.33 118.68 126.15 1wxs s LEU 74 Ca 0.58 -1.20 -0.08 0.00 0.05 0.00 0.00 54.13 53.47 1wxs s LEU 74 Cb -0.12 0.45 -0.00 0.00 -2.05 0.00 0.00 46.19 44.47 1wxs s LEU 74 CO 0.22 -0.78 0.19 0.00 -0.55 0.00 0.00 176.35 175.43 1wxs s ARG 75 N -4.06 0.87 0.01 1.48 1.70 -0.00 -1.21 118.95 117.73 1wxs s ARG 75 Ca 0.26 -0.99 0.06 0.00 -0.47 0.00 0.00 55.73 54.59 1wxs s ARG 75 Cb 0.07 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 1wxs s ARG 75 CO 0.04 -0.28 -0.18 0.42 -1.08 0.00 0.00 175.30 174.22 1wxs s ILE 76 N -3.88 2.76 0.02 4.99 1.01 -0.36 -1.94 121.20 123.81 1wxs s ILE 76 Ca 0.06 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1wxs s ILE 76 Cb 0.05 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.44 1wxs s ILE 76 CO -0.10 0.44 0.41 0.27 0.00 0.00 0.00 174.94 175.97 1wxs s ILE 77 N -0.83 0.05 -0.93 2.92 -4.36 -0.52 -4.46 121.20 113.07 1wxs s ILE 77 Ca 0.13 -0.43 -0.24 0.00 -0.26 0.00 0.00 60.65 59.85 1wxs s ILE 77 Cb -0.10 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 1wxs s ILE 77 CO 0.03 -0.24 1.95 -2.16 0.24 0.00 0.00 174.94 174.77 1wxs s PRO 78 N -2.12 2.53 0.00 0.37 0.04 -1.26 -0.02 135.00 134.54 1wxs s PRO 78 Ca -0.08 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1wxs s PRO 78 Cb -0.02 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1wxs s PRO 78 CO 0.00 -3.47 0.00 0.54 0.04 0.00 0.00 177.00 174.11 1wxs n ARG 79 N 8.78 0.00 -2.70 4.56 1.74 -1.26 -3.18 116.66 124.61 1wxs n ARG 79 Ca 0.41 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.43 1wxs n ARG 79 Cb 0.47 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.00 1wxs n ARG 79 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wxs n ASP 80 N 2.38 -1.79 -4.48 0.55 2.03 -1.26 -4.66 116.55 109.32 1wxs n ASP 80 Ca 0.00 -2.66 -0.34 0.00 0.52 0.00 0.00 54.79 52.32 1wxs n ASP 80 Cb 0.00 1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 41.73 1wxs n ASP 80 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wxs s ARG 81 N 0.19 3.64 0.59 -0.67 6.06 -1.19 -5.10 118.95 122.46 1wxs s ARG 81 Ca 0.23 -0.54 -0.16 0.00 -2.50 0.00 0.00 55.73 52.75 1wxs s ARG 81 Cb 0.28 -2.89 -0.03 0.00 0.06 0.00 0.00 34.95 32.37 1wxs s ARG 81 CO -0.14 0.23 1.07 0.14 -2.50 0.00 0.00 175.30 174.11 1wxs s VAL 82 N 0.37 3.64 0.00 7.11 -7.23 -1.26 -4.78 120.40 118.25 1wxs s VAL 82 Ca -0.05 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1wxs s VAL 82 Cb -0.14 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1wxs s VAL 82 CO 0.03 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.01