#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmi n THR 2 N 0.00 0.00 -3.89 2.03 -1.04 -1.26 -5.04 114.28 105.08 1wmi n THR 2 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1wmi n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1wmi n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wmi s TYR 3 N 0.13 3.48 -0.25 -1.42 2.02 0.18 -5.03 117.35 116.46 1wmi s TYR 3 Ca 0.00 0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 1wmi s TYR 3 Cb 0.00 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1wmi s TYR 3 CO 0.00 0.48 0.07 1.03 -1.57 0.00 0.00 175.55 175.57 1wmi s ARG 4 N -3.28 3.66 -0.16 -0.62 0.52 -0.87 -4.60 118.95 113.59 1wmi s ARG 4 Ca 0.35 -0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 1wmi s ARG 4 Cb -0.11 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1wmi s ARG 4 CO 0.29 -0.19 0.13 0.08 0.02 0.00 0.00 175.30 175.63 1wmi s VAL 5 N 1.62 5.43 0.10 3.52 1.01 -1.26 -0.88 120.40 129.94 1wmi s VAL 5 Ca 0.06 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1wmi s VAL 5 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1wmi s VAL 5 CO 0.04 0.53 -0.20 -0.54 0.00 0.00 0.00 175.10 174.92 1wmi s LYS 6 N -0.30 1.12 -0.09 2.72 -0.14 0.14 -4.95 119.74 118.24 1wmi s LYS 6 Ca 0.11 -1.17 0.04 0.00 -1.36 0.00 0.00 55.97 53.60 1wmi s LYS 6 Cb -0.12 -1.36 -0.01 0.00 -1.68 0.00 0.00 37.83 34.66 1wmi s LYS 6 CO 0.01 0.31 -0.22 0.42 -0.76 0.00 0.00 175.35 175.11 1wmi s ILE 7 N -1.21 2.25 0.51 2.17 1.01 -1.26 0.09 121.20 124.76 1wmi s ILE 7 Ca 0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1wmi s ILE 7 Cb -0.10 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 1wmi s ILE 7 CO 0.04 0.56 1.08 -2.28 0.00 0.00 0.00 174.94 174.34 1wmi s HIS 8 N 0.12 2.86 0.24 3.97 5.65 -0.82 -4.93 115.29 122.37 1wmi s HIS 8 Ca -0.11 1.56 -0.06 0.00 0.25 0.00 0.00 55.06 56.70 1wmi s HIS 8 Cb -0.16 -3.16 0.32 0.00 -1.18 0.00 0.00 32.58 28.40 1wmi s HIS 8 CO 0.06 -1.15 1.85 -0.22 -0.65 0.00 0.00 174.74 174.63 1wmi h LYS 9 N 1.38 0.93 0.00 2.88 1.63 -1.96 -1.80 116.57 119.63 1wmi h LYS 9 Ca -0.50 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.23 1wmi h LYS 9 Cb 1.24 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1wmi h LYS 9 CO 0.58 0.61 -0.07 -0.56 -3.45 0.00 0.00 179.45 176.57 1wmi h GLN 10 N 0.96 0.00 -0.01 1.90 3.07 -1.92 -2.03 115.11 117.07 1wmi h GLN 10 Ca 0.36 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.96 1wmi h GLN 10 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 1wmi h GLN 10 CO -0.17 0.07 -0.65 0.28 0.09 0.00 0.00 178.83 178.45 1wmi h VAL 11 N 0.00 1.45 -0.74 1.86 2.07 -1.58 -3.14 116.25 116.18 1wmi h VAL 11 Ca -0.00 -2.20 0.14 0.00 0.82 0.00 0.00 66.70 65.46 1wmi h VAL 11 Cb 0.13 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1wmi h VAL 11 CO 0.01 0.63 0.50 0.58 0.02 0.00 0.00 177.57 179.31 1wmi h VAL 12 N 0.04 0.81 0.25 2.57 2.07 -1.28 -0.85 116.25 119.86 1wmi h VAL 12 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1wmi h VAL 12 Cb 1.16 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1wmi h VAL 12 CO 0.09 0.08 -0.20 0.50 0.02 0.00 0.00 177.57 178.06 1wmi h LYS 13 N 0.43 -0.44 -0.39 1.57 3.64 -1.65 -2.31 116.57 117.42 1wmi h LYS 13 Ca 0.36 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1wmi h LYS 13 Cb 0.80 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1wmi h LYS 13 CO -0.12 -0.29 0.20 0.00 -2.27 0.00 0.00 179.45 176.97 1wmi h ALA 14 N 0.25 1.62 -0.43 5.00 0.00 -1.34 -3.01 119.26 121.34 1wmi h ALA 14 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wmi h ALA 14 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wmi h ALA 14 CO -0.01 0.32 0.16 -0.07 0.00 0.00 0.00 179.25 179.65 1wmi h LEU 15 N 0.54 0.61 0.00 0.00 3.38 -0.77 -2.96 115.31 116.11 1wmi h LEU 15 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wmi h LEU 15 Cb 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wmi h LEU 15 CO -0.02 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1wmi n GLN 16 N -4.59 0.56 -0.26 1.13 10.64 -0.92 -1.53 117.38 122.40 1wmi n GLN 16 Ca 0.00 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.24 1wmi n GLN 16 Cb 0.16 -1.43 0.18 0.00 -0.86 0.00 0.00 30.24 28.29 1wmi n GLN 16 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1wmi n SER 17 N -0.93 3.17 -4.73 2.61 3.41 -1.12 -4.97 113.62 111.06 1wmi n SER 17 Ca 0.12 -2.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.90 1wmi n SER 17 Cb 0.05 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 1wmi n SER 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wmi s LEU 18 N -1.82 4.24 0.58 1.04 2.96 -0.58 -5.06 118.68 120.04 1wmi s LEU 18 Ca 0.29 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.49 1wmi s LEU 18 Cb 0.20 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1wmi s LEU 18 CO 0.11 0.11 1.08 -2.65 -1.32 0.00 0.00 176.35 173.68 1wmi n PRO 19 N 3.53 1.10 -0.35 0.98 -0.02 -1.26 -4.61 135.00 134.37 1wmi n PRO 19 Ca -0.12 0.42 0.25 0.00 -2.02 0.00 0.00 63.50 62.02 1wmi n PRO 19 Cb 0.52 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 32.22 1wmi n PRO 19 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1wmi h LYS 20 N 0.75 0.34 -0.37 -0.52 3.64 -1.97 -0.59 116.57 117.85 1wmi h LYS 20 Ca -0.49 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1wmi h LYS 20 Cb 1.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1wmi h LYS 20 CO 0.53 0.23 -0.31 0.00 -2.27 0.00 0.00 179.45 177.63 1wmi h ALA 21 N 1.73 0.54 -0.20 5.00 0.00 -1.99 -1.46 119.26 122.89 1wmi h ALA 21 Ca 0.70 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1wmi h ALA 21 Cb 1.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1wmi h ALA 21 CO -0.48 0.58 -0.37 0.45 0.00 0.00 0.00 179.25 179.43 1wmi h HIS 22 N 0.67 0.50 -0.52 0.00 3.86 -1.57 -2.16 115.15 115.93 1wmi h HIS 22 Ca 0.07 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 1wmi h HIS 22 Cb 0.89 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1wmi h HIS 22 CO 0.06 0.75 0.05 -0.92 0.86 0.00 0.00 177.93 178.73 1wmi h TYR 23 N 0.36 0.95 -0.72 2.45 3.20 -0.99 -2.06 116.97 120.15 1wmi h TYR 23 Ca 0.04 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1wmi h TYR 23 Cb 0.82 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1wmi h TYR 23 CO 0.02 0.86 0.34 0.00 -1.64 0.00 0.00 178.16 177.75 1wmi h ARG 24 N 0.76 1.03 -0.56 1.82 3.08 -1.01 -0.79 114.38 118.70 1wmi h ARG 24 Ca 0.15 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1wmi h ARG 24 Cb 0.45 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1wmi h ARG 24 CO 0.02 0.79 0.19 0.00 -1.07 0.00 0.00 179.97 179.89 1wmi h ARG 25 N 1.02 0.83 -0.43 0.04 3.08 -1.12 -1.94 114.38 115.86 1wmi h ARG 25 Ca 0.25 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1wmi h ARG 25 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1wmi h ARG 25 CO -0.03 0.71 -0.11 0.35 -1.07 0.00 0.00 179.97 179.82 1wmi h PHE 26 N 0.81 0.85 -0.03 3.04 3.57 -0.47 -0.49 116.94 124.22 1wmi h PHE 26 Ca 0.19 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1wmi h PHE 26 Cb 0.22 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1wmi h PHE 26 CO 0.01 0.85 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.34 1wmi h LEU 27 N 0.71 0.10 -0.21 0.59 3.38 -0.84 -0.96 115.31 118.08 1wmi h LEU 27 Ca 0.12 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1wmi h LEU 27 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wmi h LEU 27 CO 0.04 0.61 -0.42 -0.08 0.09 0.00 0.00 178.44 178.68 1wmi h GLU 28 N 0.07 0.65 -0.33 1.13 4.81 -1.05 -2.05 114.58 117.82 1wmi h GLU 28 Ca -0.00 -0.42 0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1wmi h GLU 28 Cb 0.96 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 1wmi h GLU 28 CO 0.07 1.04 -0.08 0.35 -0.73 0.00 0.00 179.01 179.67 1wmi h PHE 29 N 0.35 -0.16 -0.56 0.92 3.57 -0.81 -0.56 116.94 119.68 1wmi h PHE 29 Ca 0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1wmi h PHE 29 Cb 1.02 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 1wmi h PHE 29 CO 0.09 -0.14 0.14 -0.09 -2.23 0.00 0.00 178.31 176.09 1wmi h ARG 30 N 0.01 0.28 -0.38 1.11 2.43 -1.06 0.03 114.38 116.80 1wmi h ARG 30 Ca 0.16 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1wmi h ARG 30 Cb 0.24 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1wmi h ARG 30 CO -0.33 0.19 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.73 1wmi h ASP 31 N 0.29 0.68 0.07 -3.80 3.32 -0.50 -2.65 116.42 113.83 1wmi h ASP 31 Ca 0.29 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1wmi h ASP 31 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1wmi h ASP 31 CO -0.35 0.84 -0.58 0.40 -1.72 0.00 0.00 179.24 177.83 1wmi h ILE 32 N 0.62 1.33 -0.10 0.35 2.04 -0.68 -2.78 117.51 118.28 1wmi h ILE 32 Ca 0.10 -1.85 0.03 0.00 1.00 0.00 0.00 64.86 64.15 1wmi h ILE 32 Cb 0.60 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1wmi h ILE 32 CO 0.04 0.57 0.11 -0.07 0.00 0.00 0.00 178.15 178.80 1wmi h LEU 33 N 0.40 0.00 -1.43 1.44 4.07 -0.65 0.32 115.31 119.45 1wmi h LEU 33 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1wmi h LEU 33 Cb 1.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1wmi h LEU 33 CO 0.11 0.00 -0.22 -0.33 -1.08 0.00 0.00 178.44 176.92 1wmi h GLU 34 N 0.00 0.10 0.00 1.13 5.08 -1.23 -3.34 114.58 116.33 1wmi h GLU 34 Ca 0.05 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1wmi h GLU 34 Cb 0.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1wmi h GLU 34 CO -0.00 0.32 -1.65 0.66 -1.00 0.00 0.00 179.01 177.34 1wmi n TYR 35 N -4.24 0.00 -3.89 4.33 4.01 -0.33 0.51 117.16 117.54 1wmi n TYR 35 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 1wmi n TYR 35 Cb 0.30 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.73 1wmi n TYR 35 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1wmi s GLU 36 N -2.23 1.46 0.56 -0.72 2.56 0.98 -4.90 118.70 116.41 1wmi s GLU 36 Ca -0.10 -1.98 0.25 0.00 0.00 0.00 0.00 54.97 53.13 1wmi s GLU 36 Cb 0.03 -2.87 1.55 0.00 2.00 0.00 0.00 34.13 34.85 1wmi s GLU 36 CO 0.33 -1.04 2.15 -1.00 -0.56 0.00 0.00 175.26 175.14 1wmi h PRO 37 N 7.20 0.00 -2.27 4.30 0.13 -1.79 -3.28 132.00 136.29 1wmi h PRO 37 Ca -0.06 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.48 1wmi h PRO 37 Cb 0.96 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.69 1wmi h PRO 37 CO 0.55 0.00 -0.87 0.28 -0.23 0.00 0.00 178.00 177.73 1wmi n VAL 38 N -4.12 0.35 -0.76 1.56 0.31 -1.26 -4.98 118.33 109.43 1wmi n VAL 38 Ca -0.00 -4.34 -0.23 0.00 -0.01 0.00 0.00 64.34 59.76 1wmi n VAL 38 Cb 0.21 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 1wmi n VAL 38 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wmi n PRO 39 N 1.60 2.14 -0.12 5.55 -0.04 -1.24 -4.77 135.00 138.12 1wmi n PRO 39 Ca 0.25 -1.49 -0.11 0.00 -0.04 0.00 0.00 63.50 62.11 1wmi n PRO 39 Cb 0.46 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 1wmi n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wmi h ARG 40 N 6.29 -0.31 -0.65 0.54 3.08 -1.93 -0.09 114.38 121.31 1wmi h ARG 40 Ca 0.51 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.65 1wmi h ARG 40 Cb 0.17 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1wmi h ARG 40 CO 1.46 -0.21 0.43 1.05 -1.07 0.00 0.00 179.97 181.64 1wmi h GLU 41 N -0.32 0.57 0.24 0.04 9.09 -1.93 0.20 114.58 122.48 1wmi h GLU 41 Ca 0.06 -0.03 -0.33 0.00 0.05 0.00 0.00 59.36 59.10 1wmi h GLU 41 Cb 0.49 -0.13 0.04 0.00 -1.65 0.00 0.00 28.75 27.49 1wmi h GLU 41 CO -0.49 0.38 -1.46 -0.22 0.05 0.00 0.00 179.01 177.27 1wmi h LYS 42 N 0.59 0.54 0.00 1.06 1.63 -1.80 -3.39 116.57 115.20 1wmi h LYS 42 Ca 0.29 -0.90 -0.05 0.00 -0.85 0.00 0.00 60.65 59.14 1wmi h LYS 42 Cb 0.37 0.33 -0.11 0.00 -0.60 0.00 0.00 32.23 32.22 1wmi h LYS 42 CO -0.09 1.43 -0.61 1.19 -3.45 0.00 0.00 179.45 177.92 1wmi n PHE 43 N -3.71 0.00 -4.05 1.91 3.01 -0.10 -5.02 117.46 109.50 1wmi n PHE 43 Ca -0.16 -1.09 -0.46 0.00 1.01 0.00 0.00 57.45 56.75 1wmi n PHE 43 Cb 1.10 -0.20 0.02 0.00 -0.01 0.00 0.00 39.48 40.39 1wmi n PHE 43 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wmi n ASP 44 N -0.63 -4.24 -4.76 4.37 10.43 0.71 -1.21 116.55 121.22 1wmi n ASP 44 Ca 0.14 -1.28 -0.39 0.00 2.57 0.00 0.00 54.79 55.83 1wmi n ASP 44 Cb 0.82 -1.82 -0.05 0.00 1.84 0.00 0.00 41.12 41.91 1wmi n ASP 44 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1wmi s VAL 45 N -3.52 4.79 0.12 2.53 1.01 -1.19 -4.24 120.40 119.90 1wmi s VAL 45 Ca 0.50 1.45 0.10 0.00 0.00 0.00 0.00 61.98 64.02 1wmi s VAL 45 Cb -0.26 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1wmi s VAL 45 CO 0.96 0.40 -0.24 0.27 0.00 0.00 0.00 175.10 176.50 1wmi s ILE 46 N -0.21 2.01 -0.42 2.22 -4.36 -0.77 -4.73 121.20 114.93 1wmi s ILE 46 Ca 0.35 -1.69 -0.20 0.00 -0.26 0.00 0.00 60.65 58.84 1wmi s ILE 46 Cb -0.20 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.72 1wmi s ILE 46 CO 0.20 -0.01 0.63 -0.75 0.24 0.00 0.00 174.94 175.25 1wmi s LYS 47 N -2.07 3.33 0.02 0.37 2.20 -1.26 -1.27 119.74 121.05 1wmi s LYS 47 Ca 0.11 -0.33 -0.19 0.00 -0.36 0.00 0.00 55.97 55.20 1wmi s LYS 47 Cb -0.10 -3.93 -0.24 0.00 -1.51 0.00 0.00 37.83 32.06 1wmi s LYS 47 CO 0.06 -0.96 1.11 -0.07 -0.36 0.00 0.00 175.35 175.13 1wmi h LEU 48 N 9.60 0.60 -7.57 5.43 3.38 -0.81 -3.45 115.31 122.49 1wmi h LEU 48 Ca -0.26 -0.76 -0.34 0.00 0.09 0.00 0.00 57.88 56.61 1wmi h LEU 48 Cb 1.10 -0.18 -0.34 0.00 0.09 0.00 0.00 40.66 41.32 1wmi h LEU 48 CO 0.88 1.28 -0.74 -0.70 0.09 0.00 0.00 178.44 179.25 1wmi s GLU 49 N -3.20 0.24 -0.34 1.13 2.56 -1.12 -4.96 118.70 113.01 1wmi s GLU 49 Ca -0.13 0.11 0.07 0.00 0.00 0.00 0.00 54.97 55.02 1wmi s GLU 49 Cb 0.04 -0.47 0.47 0.00 2.00 0.00 0.00 34.13 36.17 1wmi s GLU 49 CO 0.84 -0.16 1.41 0.41 -0.56 0.00 0.00 175.26 177.20 1wmi n GLY 50 N 4.25 5.69 3.48 -1.50 0.00 -1.26 -0.86 105.19 114.99 1wmi n GLY 50 Ca -0.25 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 1wmi n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wmi n THR 51 N -0.93 0.00 0.00 2.61 5.66 -1.24 -4.62 114.28 115.76 1wmi n THR 51 Ca 0.40 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1wmi n THR 51 Cb 0.92 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 1wmi n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wmi n GLY 52 N 5.48 0.00 0.08 1.09 0.00 -1.26 -1.08 105.19 109.49 1wmi n GLY 52 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 1wmi n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmi n ASP 53 N 0.00 1.81 -4.20 1.61 8.00 -1.26 -4.87 116.55 117.64 1wmi n ASP 53 Ca 0.00 0.51 -0.34 0.00 0.71 0.00 0.00 54.79 55.67 1wmi n ASP 53 Cb 0.00 -0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 40.14 1wmi n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wmi s LEU 54 N -8.01 2.79 0.30 0.64 2.96 -0.24 -1.67 118.68 115.44 1wmi s LEU 54 Ca -0.20 -0.69 0.09 0.00 -0.22 0.00 0.00 54.13 53.11 1wmi s LEU 54 Cb 0.03 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1wmi s LEU 54 CO 0.30 -0.06 0.05 -1.81 -1.32 0.00 0.00 176.35 173.51 1wmi s ASP 55 N 1.35 4.58 -0.05 3.68 1.01 -0.48 -3.73 116.67 123.03 1wmi s ASP 55 Ca 0.03 -0.71 0.05 0.00 0.71 0.00 0.00 52.55 52.62 1wmi s ASP 55 Cb -0.15 -0.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.97 1wmi s ASP 55 CO -0.07 -0.13 -0.19 -0.76 0.21 0.00 0.00 175.17 174.24 1wmi s LEU 56 N -3.74 2.46 0.07 1.23 1.43 -0.04 -1.60 118.68 118.49 1wmi s LEU 56 Ca 0.34 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1wmi s LEU 56 Cb -0.04 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1wmi s LEU 56 CO 0.21 0.31 -0.08 -0.31 0.23 0.00 0.00 176.35 176.71 1wmi s TYR 57 N -0.50 0.79 -0.15 0.29 2.02 0.59 -0.06 117.35 120.33 1wmi s TYR 57 Ca 0.06 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1wmi s TYR 57 Cb -0.11 -0.46 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1wmi s TYR 57 CO 0.01 -0.10 -0.20 0.50 -1.57 0.00 0.00 175.55 174.19 1wmi s ARG 58 N -2.48 2.91 0.11 -0.62 3.00 -0.39 -1.57 118.95 119.91 1wmi s ARG 58 Ca -0.01 -0.81 0.08 0.00 -1.00 0.00 0.00 55.73 54.00 1wmi s ARG 58 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 34.95 32.46 1wmi s ARG 58 CO -0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 175.30 175.04 1wmi s ALA 59 N 1.01 2.77 -0.18 6.12 0.00 0.21 -1.85 121.76 129.83 1wmi s ALA 59 Ca -0.03 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 1wmi s ALA 59 Cb -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1wmi s ALA 59 CO -0.06 0.61 0.01 1.03 0.00 0.00 0.00 175.76 177.35 1wmi s ARG 60 N -2.17 3.74 -0.55 0.00 0.52 -0.35 0.11 118.95 120.25 1wmi s ARG 60 Ca 0.19 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 1wmi s ARG 60 Cb -0.11 -3.07 0.37 0.00 0.52 0.00 0.00 34.95 32.66 1wmi s ARG 60 CO 0.11 0.16 1.08 1.28 0.02 0.00 0.00 175.30 177.94 1wmi n LEU 61 N 3.83 4.78 0.00 2.53 7.99 0.06 -4.69 117.00 131.50 1wmi n LEU 61 Ca -0.17 -5.48 0.00 0.00 -0.01 0.00 0.00 56.01 50.36 1wmi n LEU 61 Cb 0.52 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1wmi n LEU 61 CO 0.33 2.29 0.00 0.61 -1.51 0.00 0.00 177.39 179.11 1wmi n GLY 62 N -0.34 0.86 2.14 -0.72 0.00 -1.26 -4.18 105.19 101.70 1wmi n GLY 62 Ca 0.35 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1wmi n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmi n ASP 63 N 3.56 6.48 -3.59 1.61 8.00 -1.26 -4.79 116.55 126.56 1wmi n ASP 63 Ca 0.00 -3.13 -0.10 0.00 0.71 0.00 0.00 54.79 52.27 1wmi n ASP 63 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 39.91 1wmi n ASP 63 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1wmi s TYR 64 N -1.77 -0.36 0.10 1.24 1.13 -1.26 -4.04 117.35 112.39 1wmi s TYR 64 Ca 0.44 0.66 0.04 0.00 -1.41 0.00 0.00 57.07 56.80 1wmi s TYR 64 Cb 0.31 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.57 1wmi s TYR 64 CO -0.09 -0.30 0.09 1.03 -2.51 0.00 0.00 175.55 173.77 1wmi s ARG 65 N -0.88 2.85 -0.11 -3.49 0.52 0.39 -0.76 118.95 117.47 1wmi s ARG 65 Ca -0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1wmi s ARG 65 Cb -0.01 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.78 1wmi s ARG 65 CO -0.00 0.54 -0.16 0.08 0.02 0.00 0.00 175.30 175.78 1wmi s VAL 66 N -1.47 1.54 -0.21 3.52 1.01 0.30 -0.51 120.40 124.57 1wmi s VAL 66 Ca 0.29 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1wmi s VAL 66 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1wmi s VAL 66 CO 0.22 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 175.17 1wmi s ILE 67 N 0.96 4.21 0.15 2.22 1.01 0.21 0.63 121.20 130.59 1wmi s ILE 67 Ca -0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1wmi s ILE 67 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1wmi s ILE 67 CO -0.01 0.41 0.16 -0.72 0.00 0.00 0.00 174.94 174.78 1wmi s TYR 68 N 1.03 0.66 0.20 3.97 -0.85 -0.61 -0.66 117.35 121.09 1wmi s TYR 68 Ca 0.03 -1.03 0.11 0.00 -0.52 0.00 0.00 57.07 55.66 1wmi s TYR 68 Cb -0.14 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 1wmi s TYR 68 CO 0.02 -0.61 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.70 1wmi s SER 69 N -3.02 3.65 -0.11 -0.18 1.04 -0.25 -0.30 113.70 114.54 1wmi s SER 69 Ca 0.21 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1wmi s SER 69 Cb 0.06 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1wmi s SER 69 CO 0.01 0.11 -0.16 -0.69 0.98 0.00 0.00 173.24 173.48 1wmi s VAL 70 N -1.78 1.57 -0.47 5.02 1.01 -0.62 -1.41 120.40 123.71 1wmi s VAL 70 Ca 0.23 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1wmi s VAL 70 Cb -0.08 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 35.00 1wmi s VAL 70 CO 0.12 0.45 0.34 0.21 0.00 0.00 0.00 175.10 176.22 1wmi s ASN 71 N 0.88 5.70 0.37 3.32 3.84 0.84 -1.38 114.94 128.51 1wmi s ASN 71 Ca -0.08 -1.91 0.06 0.00 0.21 0.00 0.00 52.86 51.13 1wmi s ASN 71 Cb -0.15 -2.01 0.75 0.00 -0.55 0.00 0.00 41.25 39.29 1wmi s ASN 71 CO -0.00 -0.69 1.99 -0.50 -2.79 0.00 0.00 177.10 175.10 1wmi h TRP 72 N 8.45 0.72 -0.13 0.43 4.06 -1.61 0.74 115.95 128.61 1wmi h TRP 72 Ca -0.21 0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.59 1wmi h TRP 72 Cb 1.07 -0.24 0.01 0.00 -1.00 0.00 0.00 29.16 29.00 1wmi h TRP 72 CO 0.64 0.40 -0.59 0.87 -3.56 0.00 0.00 178.44 176.21 1wmi h LYS 73 N 0.73 0.62 0.00 0.49 1.57 -1.93 -3.28 116.57 114.77 1wmi h LYS 73 Ca 0.27 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1wmi h LYS 73 Cb 0.15 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wmi h LYS 73 CO -0.08 1.12 -0.60 -0.44 -0.57 0.00 0.00 179.45 178.88 1wmi h ASP 74 N 0.27 0.00 -2.17 0.86 3.32 -1.87 -3.47 116.42 113.37 1wmi h ASP 74 Ca -0.04 -0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 1wmi h ASP 74 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1wmi h ASP 74 CO 0.12 0.02 -0.35 0.29 -1.72 0.00 0.00 179.24 177.60 1wmi n LYS 75 N -2.67 -1.55 -4.72 3.56 5.02 0.26 -4.95 118.16 113.11 1wmi n LYS 75 Ca 0.02 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.61 1wmi n LYS 75 Cb 0.52 -4.86 -0.12 0.00 -0.02 0.00 0.00 35.03 30.55 1wmi n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wmi s VAL 76 N -2.73 3.46 -0.10 -0.18 1.01 -1.08 -2.06 120.40 118.72 1wmi s VAL 76 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1wmi s VAL 76 Cb -0.02 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1wmi s VAL 76 CO 0.06 0.59 -0.19 -0.63 0.00 0.00 0.00 175.10 174.93 1wmi s ILE 77 N -0.79 1.69 -0.14 2.22 1.01 -0.06 -0.11 121.20 125.02 1wmi s ILE 77 Ca 0.12 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1wmi s ILE 77 Cb -0.11 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.86 1wmi s ILE 77 CO 0.01 0.48 -0.20 -0.54 0.00 0.00 0.00 174.94 174.69 1wmi s LYS 78 N 0.68 3.08 -0.43 2.79 1.02 -0.50 0.26 119.74 126.64 1wmi s LYS 78 Ca -0.12 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 54.78 1wmi s LYS 78 Cb -0.16 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1wmi s LYS 78 CO 0.03 0.02 0.96 0.42 -0.92 0.00 0.00 175.35 175.86 1wmi s ILE 79 N 0.76 4.46 -0.22 2.17 -1.09 0.11 -1.09 121.20 126.30 1wmi s ILE 79 Ca -0.08 0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 59.11 1wmi s ILE 79 Cb -0.16 -4.43 -0.17 0.00 -1.58 0.00 0.00 42.46 36.12 1wmi s ILE 79 CO -0.00 -0.77 0.08 0.18 -1.23 0.00 0.00 174.94 173.19 1wmi n LEU 80 N 7.15 1.88 -3.70 2.97 4.32 0.16 -1.93 117.00 127.85 1wmi n LEU 80 Ca 0.07 0.41 -0.13 0.00 -0.02 0.00 0.00 56.01 56.34 1wmi n LEU 80 Cb 0.48 -0.93 -0.07 0.00 -1.62 0.00 0.00 43.42 41.28 1wmi n LEU 80 CO 0.63 0.33 0.11 -0.75 -1.22 0.00 0.00 177.39 176.49 1wmi s LYS 81 N -2.40 0.84 -0.07 3.23 2.20 -0.94 -4.60 119.74 118.00 1wmi s LYS 81 Ca -0.31 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1wmi s LYS 81 Cb 0.08 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1wmi s LYS 81 CO 0.56 -0.27 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.71 1wmi s LEU 82 N -1.77 3.17 0.05 5.43 1.02 -1.26 -0.62 118.68 124.70 1wmi s LEU 82 Ca -0.08 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1wmi s LEU 82 Cb -0.02 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1wmi s LEU 82 CO 0.00 0.36 -0.07 -0.54 0.02 0.00 0.00 176.35 176.13 1wmi s LYS 83 N -0.82 0.58 0.00 1.70 1.02 0.34 -4.98 119.74 117.58 1wmi s LYS 83 Ca 0.12 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1wmi s LYS 83 Cb -0.11 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1wmi s LYS 83 CO 0.01 0.02 0.00 -2.30 -0.92 0.00 0.00 175.35 172.16 1wmi n PRO 84 N 1.08 -0.04 -0.26 -1.68 -0.02 -1.26 0.15 135.00 132.97 1wmi n PRO 84 Ca -0.20 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.22 1wmi n PRO 84 Cb 0.56 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.09 1wmi n PRO 84 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1wmi h ARG 85 N 0.00 1.03 0.00 -0.52 0.11 -1.95 -3.20 114.38 109.86 1wmi h ARG 85 Ca 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1wmi h ARG 85 Cb 0.00 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.90 1wmi h ARG 85 CO 0.00 0.82 0.00 0.41 0.10 0.00 0.00 179.97 181.30 1wmi n GLY 86 N -0.96 1.83 0.00 0.08 0.00 -1.26 -4.88 105.19 100.00 1wmi n GLY 86 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wmi n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wmi n ARG 87 N 0.00 0.72 0.00 1.61 1.74 -1.26 -5.22 116.66 114.25 1wmi n ARG 87 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1wmi n ARG 87 Cb 0.00 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 31.85 1wmi n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11