#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovv h TYR 2 N 0.00 0.00 -0.02 1.24 -0.00 -2.05 0.32 116.97 116.46 1ovv h TYR 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1ovv h TYR 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ovv h TYR 2 CO 0.00 0.17 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.19 1ovv h LEU 3 N 0.00 0.10 -0.86 0.10 3.38 -2.00 -1.93 115.31 114.09 1ovv h LEU 3 Ca -0.00 -0.60 0.21 0.00 0.09 0.00 0.00 57.88 57.58 1ovv h LEU 3 Cb 0.47 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 1ovv h LEU 3 CO 0.02 0.68 0.32 0.03 0.09 0.00 0.00 178.44 179.58 1ovv h ARG 4 N -0.49 0.32 0.00 1.13 3.08 -1.86 0.52 114.38 117.09 1ovv h ARG 4 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1ovv h ARG 4 Cb 0.67 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1ovv h ARG 4 CO 0.01 0.21 -0.16 0.93 -1.07 0.00 0.00 179.97 179.89 1ovv h GLU 5 N 0.33 0.00 0.00 0.04 5.08 -0.32 0.17 114.58 119.88 1ovv h GLU 5 Ca 0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.83 1ovv h GLU 5 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ovv h GLU 5 CO -0.55 0.16 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.18 1ovv h LEU 6 N 0.00 0.00 -1.16 1.33 3.38 0.28 -1.73 115.31 117.42 1ovv h LEU 6 Ca -0.00 -0.60 0.44 0.00 0.09 0.00 0.00 57.88 57.81 1ovv h LEU 6 Cb 0.39 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.98 1ovv h LEU 6 CO 0.02 1.01 0.69 -0.11 0.09 0.00 0.00 178.44 180.15 1ovv n LEU 7 N -4.60 0.28 -0.15 1.67 7.94 0.15 0.13 117.00 122.41 1ovv n LEU 7 Ca -0.14 1.50 -0.11 0.00 -1.11 0.00 0.00 56.01 56.15 1ovv n LEU 7 Cb 0.43 -0.73 -0.01 0.00 0.53 0.00 0.00 43.42 43.64 1ovv n LEU 7 CO 0.22 -1.66 0.67 0.50 -1.11 0.00 0.00 177.39 176.02 1ovv h LYS 8 N 0.00 0.94 0.04 1.96 3.64 -0.00 -2.41 116.57 120.73 1ovv h LYS 8 Ca 0.85 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1ovv h LYS 8 Cb 2.48 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 34.27 1ovv h LYS 8 CO -0.61 1.06 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.54 1ovv h LEU 9 N 0.79 -0.04 -0.92 5.20 3.38 0.19 -0.97 115.31 122.94 1ovv h LEU 9 Ca 0.11 -0.65 0.23 0.00 0.09 0.00 0.00 57.88 57.65 1ovv h LEU 9 Cb 0.77 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 1ovv h LEU 9 CO 0.06 0.69 -0.00 -0.33 0.09 0.00 0.00 178.44 178.95 1ovv h GLU 10 N -0.84 0.04 -0.43 1.13 4.39 -0.90 0.98 114.58 118.96 1ovv h GLU 10 Ca -0.01 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1ovv h GLU 10 Cb 0.69 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1ovv h GLU 10 CO 0.01 0.03 0.10 -0.07 -1.16 0.00 0.00 179.01 177.91 1ovv h LEU 11 N 0.04 0.03 -1.44 1.33 3.38 -0.98 -0.51 115.31 117.17 1ovv h LEU 11 Ca 0.53 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1ovv h LEU 11 Cb 1.01 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1ovv h LEU 11 CO -0.85 0.05 0.34 -0.61 0.09 0.00 0.00 178.44 177.46 1ovv h GLN 12 N 0.24 0.71 -0.07 1.13 4.15 0.23 -2.66 115.11 118.84 1ovv h GLN 12 Ca 0.21 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.41 1ovv h GLN 12 Cb 0.25 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.80 1ovv h GLN 12 CO -0.27 0.49 -0.63 0.00 -1.93 0.00 0.00 178.83 176.49 1ovv h ALA 13 N 1.64 0.17 -0.85 3.38 0.00 -0.04 0.93 119.26 124.48 1ovv h ALA 13 Ca 0.20 -0.56 0.16 0.00 0.00 0.00 0.00 54.91 54.71 1ovv h ALA 13 Cb -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1ovv h ALA 13 CO -0.04 0.45 0.56 0.82 0.00 0.00 0.00 179.25 181.04 1ovv h ILE 14 N 0.15 0.78 -0.80 0.00 2.04 -0.81 -0.08 117.51 118.79 1ovv h ILE 14 Ca -0.06 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1ovv h ILE 14 Cb 1.29 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1ovv h ILE 14 CO 0.13 0.10 0.32 0.50 0.00 0.00 0.00 178.15 179.19 1ovv h LYS 15 N 0.53 1.19 0.00 2.37 3.64 -0.55 -2.41 116.57 121.35 1ovv h LYS 15 Ca 0.43 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1ovv h LYS 15 Cb 0.87 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ovv h LYS 15 CO -0.17 0.96 -0.10 1.96 -2.27 0.00 0.00 179.45 179.83 1ovv h GLN 16 N 1.16 0.06 -0.21 1.90 1.08 -0.78 -2.87 115.11 115.44 1ovv h GLN 16 Ca 0.27 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.45 1ovv h GLN 16 Cb 0.21 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1ovv h GLN 16 CO -0.02 0.86 -0.37 1.88 -0.95 0.00 0.00 178.83 180.23 1ovv h TYR 17 N -0.71 -1.05 -0.89 2.96 -1.99 -1.37 0.68 116.97 114.61 1ovv h TYR 17 Ca -0.01 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.89 1ovv h TYR 17 Cb 0.90 0.49 -0.07 0.00 2.00 0.00 0.00 36.73 40.05 1ovv h TYR 17 CO 0.20 -0.43 0.57 0.00 -0.00 0.00 0.00 178.16 178.51 1ovv h ARG 18 N -0.40 0.74 0.83 4.88 3.08 -1.49 0.78 114.38 122.81 1ovv h ARG 18 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1ovv h ARG 18 Cb 0.58 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ovv h ARG 18 CO -0.43 0.49 -0.45 0.93 -1.07 0.00 0.00 179.97 179.44 1ovv h GLU 19 N 0.77 -1.14 -0.52 0.04 5.08 -0.81 -1.08 114.58 116.92 1ovv h GLU 19 Ca 0.43 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.96 1ovv h GLU 19 Cb 0.59 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.99 1ovv h GLU 19 CO -0.19 -0.76 -0.33 0.00 -1.00 0.00 0.00 179.01 176.72 1ovv h ALA 20 N -1.06 -0.11 -0.19 3.43 0.00 0.31 -0.81 119.26 120.83 1ovv h ALA 20 Ca -0.11 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ovv h ALA 20 Cb 0.93 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1ovv h ALA 20 CO 0.15 -0.70 0.19 -0.07 0.00 0.00 0.00 179.25 178.82 1ovv h LEU 21 N -0.20 0.00 -0.48 0.00 3.38 0.78 -0.54 115.31 118.25 1ovv h LEU 21 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ovv h LEU 21 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ovv h LEU 21 CO -0.62 0.00 -0.02 1.05 0.09 0.00 0.00 178.44 178.94 1ovv h GLU 22 N 0.00 0.00 0.01 1.13 4.11 0.17 -3.32 114.58 116.68 1ovv h GLU 22 Ca 0.09 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.13 1ovv h GLU 22 Cb 0.46 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1ovv h GLU 22 CO -0.00 0.02 -2.16 0.98 0.07 0.00 0.00 179.01 177.92 1ovv n TYR 23 N -3.11 0.35 -4.18 2.06 9.36 -0.27 -4.99 117.16 116.39 1ovv n TYR 23 Ca 0.03 0.14 -0.18 0.00 3.32 0.00 0.00 57.90 61.21 1ovv n TYR 23 Cb 0.46 -1.04 -0.12 0.00 -0.63 0.00 0.00 39.34 38.02 1ovv n TYR 23 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ovv s VAL 24 N -2.47 1.04 -0.53 2.97 0.11 -0.83 -5.08 120.40 115.61 1ovv s VAL 24 Ca -0.35 -1.24 -0.10 0.00 -2.93 0.00 0.00 61.98 57.36 1ovv s VAL 24 Cb 0.11 -1.01 0.13 0.00 -1.53 0.00 0.00 36.38 34.09 1ovv s VAL 24 CO 0.54 -0.22 0.41 -0.54 -3.33 0.00 0.00 175.10 171.97 1ovv s LYS 25 N -1.65 2.65 -0.23 1.54 3.01 -1.26 -4.15 119.74 119.65 1ovv s LYS 25 Ca -0.03 -1.89 0.01 0.00 -1.01 0.00 0.00 55.97 53.05 1ovv s LYS 25 Cb -0.10 -4.00 0.04 0.00 -1.01 0.00 0.00 37.83 32.76 1ovv s LYS 25 CO 0.02 -1.22 -0.13 -0.51 0.51 0.00 0.00 175.35 174.02 1ovv s LEU 26 N 1.16 2.91 0.23 3.17 1.43 -1.26 -5.02 118.68 121.30 1ovv s LEU 26 Ca 0.07 -1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1ovv s LEU 26 Cb -0.25 -1.56 0.41 0.00 0.03 0.00 0.00 46.19 44.82 1ovv s LEU 26 CO -0.01 -0.11 1.72 -0.65 0.23 0.00 0.00 176.35 177.53 1ovv h PRO 27 N 7.89 0.36 -0.98 1.29 0.11 -2.00 0.35 132.00 139.03 1ovv h PRO 27 Ca -0.32 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.94 1ovv h PRO 27 Cb 1.09 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 1ovv h PRO 27 CO 0.55 0.24 0.59 -0.24 -0.21 0.00 0.00 178.00 178.93 1ovv h VAL 28 N 0.38 0.73 -0.66 3.15 3.04 -1.99 1.16 116.25 122.05 1ovv h VAL 28 Ca 0.38 -0.26 0.09 0.00 -1.01 0.00 0.00 66.70 65.90 1ovv h VAL 28 Cb 0.58 -0.11 -0.07 0.00 -2.01 0.00 0.00 31.29 29.68 1ovv h VAL 28 CO -0.41 0.14 0.29 -0.07 -1.01 0.00 0.00 177.57 176.51 1ovv h LEU 29 N 0.77 0.34 -0.57 3.16 3.38 -0.72 -1.30 115.31 120.38 1ovv h LEU 29 Ca 0.55 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.45 1ovv h LEU 29 Cb 0.82 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1ovv h LEU 29 CO -0.37 0.20 -0.40 0.00 0.09 0.00 0.00 178.44 177.96 1ovv h ALA 30 N 1.42 0.75 0.08 1.53 0.00 0.14 -2.01 119.26 121.17 1ovv h ALA 30 Ca 0.33 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ovv h ALA 30 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ovv h ALA 30 CO -0.29 0.66 -0.04 -0.22 0.00 0.00 0.00 179.25 179.36 1ovv h LYS 31 N 0.58 -0.11 -0.32 0.00 1.63 0.18 1.48 116.57 120.01 1ovv h LYS 31 Ca 0.05 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1ovv h LYS 31 Cb 0.93 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.51 1ovv h LYS 31 CO 0.08 -0.07 -0.32 0.82 -3.45 0.00 0.00 179.45 176.51 1ovv h ILE 32 N -0.11 0.25 -0.91 2.00 2.04 -1.42 0.77 117.51 120.13 1ovv h ILE 32 Ca -0.01 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.10 1ovv h ILE 32 Cb 0.09 0.25 -0.14 0.00 -0.74 0.00 0.00 36.82 36.28 1ovv h ILE 32 CO 0.02 0.00 0.36 0.25 0.00 0.00 0.00 178.15 178.78 1ovv h LEU 33 N -0.29 0.22 -0.72 1.44 6.46 0.66 1.65 115.31 124.73 1ovv h LEU 33 Ca 0.15 0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1ovv h LEU 33 Cb 0.53 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1ovv h LEU 33 CO -0.48 -0.10 -0.63 -0.08 -0.62 0.00 0.00 178.44 176.53 1ovv h GLU 34 N 0.30 0.00 0.00 1.25 4.81 0.79 0.83 114.58 122.56 1ovv h GLU 34 Ca 0.60 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1ovv h GLU 34 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ovv h GLU 34 CO -0.60 0.63 -0.10 -0.44 -0.73 0.00 0.00 179.01 177.77 1ovv h ASP 35 N 0.00 0.00 0.23 1.04 3.32 0.60 -2.78 116.42 118.83 1ovv h ASP 35 Ca -0.01 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1ovv h ASP 35 Cb 1.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.69 1ovv h ASP 35 CO 0.08 0.10 -1.72 -0.33 -1.72 0.00 0.00 179.24 175.66 1ovv h GLU 36 N 0.00 0.38 -0.77 3.56 4.39 0.35 0.93 114.58 123.43 1ovv h GLU 36 Ca -0.00 -0.65 0.17 0.00 0.34 0.00 0.00 59.36 59.22 1ovv h GLU 36 Cb 0.23 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1ovv h GLU 36 CO 0.01 1.30 0.52 0.93 -1.16 0.00 0.00 179.01 180.61 1ovv h GLU 37 N 0.10 0.29 0.23 2.33 5.08 -1.50 0.13 114.58 121.24 1ovv h GLU 37 Ca -0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1ovv h GLU 37 Cb 2.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1ovv h GLU 37 CO 0.18 0.19 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.05 1ovv h LYS 38 N 0.30 -0.29 -0.65 2.33 3.64 -1.17 -2.95 116.57 117.78 1ovv h LYS 38 Ca 0.38 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.87 1ovv h LYS 38 Cb 1.04 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.82 1ovv h LYS 38 CO -0.10 0.08 -0.44 0.45 -2.27 0.00 0.00 179.45 177.18 1ovv h HIS 39 N -0.86 -1.28 -0.19 1.91 3.86 -0.20 -2.60 115.15 115.80 1ovv h HIS 39 Ca -0.03 0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ovv h HIS 39 Cb 0.51 0.65 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 1ovv h HIS 39 CO 0.06 -0.42 -0.11 -0.89 0.86 0.00 0.00 177.93 177.43 1ovv n ILE 40 N -5.40 -0.13 -0.16 2.45 2.08 0.40 0.56 119.36 119.17 1ovv n ILE 40 Ca 0.03 1.32 0.10 0.00 0.56 0.00 0.00 62.75 64.75 1ovv n ILE 40 Cb 0.35 -1.71 0.42 0.00 -0.75 0.00 0.00 39.64 37.95 1ovv n ILE 40 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ovv h GLU 41 N 0.00 0.58 -0.11 0.38 5.08 -1.31 1.05 114.58 120.27 1ovv h GLU 41 Ca 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ovv h GLU 41 Cb 0.08 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ovv h GLU 41 CO -0.18 0.39 0.05 -1.49 -1.00 0.00 0.00 179.01 176.78 1ovv h TRP 42 N 0.60 0.15 -0.23 4.33 6.55 -0.66 0.78 115.95 127.47 1ovv h TRP 42 Ca 0.32 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 60.16 1ovv h TRP 42 Cb 0.46 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1ovv h TRP 42 CO -0.00 0.20 0.14 -0.07 -1.05 0.00 0.00 178.44 177.66 1ovv h LEU 43 N 0.05 0.23 -1.22 -4.49 3.38 0.64 -0.54 115.31 113.36 1ovv h LEU 43 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ovv h LEU 43 Cb 0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1ovv h LEU 43 CO -0.00 0.17 0.54 -0.33 0.09 0.00 0.00 178.44 178.90 1ovv h GLU 44 N 0.29 1.00 -0.55 1.13 5.08 -0.26 -1.23 114.58 120.05 1ovv h GLU 44 Ca 0.09 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1ovv h GLU 44 Cb -0.01 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1ovv h GLU 44 CO -0.04 0.66 0.37 1.15 -1.00 0.00 0.00 179.01 180.15 1ovv h THR 45 N 1.03 0.94 0.13 1.13 2.02 0.81 0.35 112.91 119.33 1ovv h THR 45 Ca 0.32 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1ovv h THR 45 Cb -0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1ovv h THR 45 CO -0.09 0.08 -0.06 0.40 0.37 0.00 0.00 175.52 176.22 1ovv h ILE 46 N 0.43 0.57 0.00 3.11 2.04 -0.91 -2.02 117.51 120.72 1ovv h ILE 46 Ca 0.24 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1ovv h ILE 46 Cb 0.40 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ovv h ILE 46 CO -0.07 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1ovv n LEU 47 N -4.87 0.00 0.00 1.44 4.77 -0.79 -5.14 117.00 112.41 1ovv n LEU 47 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1ovv n LEU 47 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1ovv n LEU 47 CO 0.17 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.84