#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 0.69 -0.79 1.24 -0.00 -2.04 1.33 116.97 117.39 1ovv h TYR 2 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 58.73 58.81 1ovv h TYR 2 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 36.73 36.49 1ovv h TYR 2 CO 0.00 -0.12 0.49 -0.07 -0.00 0.00 0.00 178.16 178.46 1ovv h LEU 3 N 0.25 0.78 -0.49 0.10 3.38 -2.02 0.65 115.31 117.96 1ovv h LEU 3 Ca 0.72 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.55 1ovv h LEU 3 Cb 1.97 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1ovv h LEU 3 CO -0.44 0.52 -0.75 0.03 0.09 0.00 0.00 178.44 177.88 1ovv h ARG 4 N 0.92 0.01 -0.34 1.13 3.08 0.78 -1.36 114.38 118.59 1ovv h ARG 4 Ca 0.33 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.22 1ovv h ARG 4 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ovv h ARG 4 CO -0.15 0.76 -0.40 0.93 -1.07 0.00 0.00 179.97 180.04 1ovv h GLU 5 N 0.00 0.83 -0.37 0.04 4.39 0.48 0.28 114.58 120.23 1ovv h GLU 5 Ca -0.01 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1ovv h GLU 5 Cb 1.33 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1ovv h GLU 5 CO 0.10 1.08 0.25 -0.07 -1.16 0.00 0.00 179.01 179.20 1ovv h LEU 6 N 0.68 0.43 -0.49 1.33 3.38 0.19 -0.80 115.31 120.03 1ovv h LEU 6 Ca 0.05 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1ovv h LEU 6 Cb 0.97 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1ovv h LEU 6 CO 0.09 0.31 -0.45 0.25 0.09 0.00 0.00 178.44 178.74 1ovv h LEU 7 N 0.50 -1.51 -1.95 1.67 5.85 0.11 -1.26 115.31 118.73 1ovv h LEU 7 Ca 0.14 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1ovv h LEU 7 Cb -0.06 0.67 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1ovv h LEU 7 CO -0.03 -0.36 -0.07 0.11 -0.34 0.00 0.00 178.44 177.75 1ovv h LYS 8 N -0.29 0.00 0.62 1.25 1.57 0.42 -2.54 116.57 117.60 1ovv h LYS 8 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1ovv h LYS 8 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1ovv h LYS 8 CO -0.63 0.07 -0.30 1.25 -0.57 0.00 0.00 179.45 179.28 1ovv h LEU 9 N 0.00 -0.70 -1.63 2.94 5.85 -0.62 -1.16 115.31 119.99 1ovv h LEU 9 Ca -0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ovv h LEU 9 Cb 0.14 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1ovv h LEU 9 CO 0.01 -0.34 0.20 -0.33 -0.34 0.00 0.00 178.44 177.64 1ovv h GLU 10 N -1.12 0.45 -0.63 1.25 4.39 -1.21 -0.69 114.58 117.02 1ovv h GLU 10 Ca -0.08 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.70 1ovv h GLU 10 Cb 0.68 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.14 1ovv h GLU 10 CO 0.14 0.32 0.16 -0.07 -1.16 0.00 0.00 179.01 178.39 1ovv h LEU 11 N 0.46 0.06 -0.44 1.33 3.38 -1.04 0.32 115.31 119.37 1ovv h LEU 11 Ca 0.12 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ovv h LEU 11 Cb -0.02 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ovv h LEU 11 CO -0.02 0.03 0.07 -0.61 0.09 0.00 0.00 178.44 178.00 1ovv h GLN 12 N 0.29 0.72 -0.51 1.13 4.15 0.09 0.65 115.11 121.64 1ovv h GLN 12 Ca 0.33 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1ovv h GLN 12 Cb 0.49 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1ovv h GLN 12 CO -0.40 0.75 -0.16 0.00 -1.93 0.00 0.00 178.83 177.08 1ovv h ALA 13 N 0.94 0.71 -0.62 3.38 0.00 -0.29 0.34 119.26 123.73 1ovv h ALA 13 Ca 0.13 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1ovv h ALA 13 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ovv h ALA 13 CO 0.01 0.66 0.08 0.82 0.00 0.00 0.00 179.25 180.83 1ovv h ILE 14 N 0.88 1.26 -0.77 0.00 2.04 -0.29 0.13 117.51 120.77 1ovv h ILE 14 Ca 0.12 -1.04 0.18 0.00 1.00 0.00 0.00 64.86 65.13 1ovv h ILE 14 Cb 0.74 0.73 -0.14 0.00 -0.74 0.00 0.00 36.82 37.41 1ovv h ILE 14 CO 0.06 0.38 -0.01 0.50 0.00 0.00 0.00 178.15 179.08 1ovv h LYS 15 N 0.94 0.09 0.00 2.37 1.63 0.12 -2.08 116.57 119.64 1ovv h LYS 15 Ca 0.19 -0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.74 1ovv h LYS 15 Cb 0.45 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 1ovv h LYS 15 CO 0.02 0.06 -1.66 1.04 -3.45 0.00 0.00 179.45 175.46 1ovv n GLN 16 N -5.36 0.63 0.19 1.90 6.02 0.22 -3.11 117.38 117.86 1ovv n GLN 16 Ca 0.14 0.24 0.07 0.00 -0.01 0.00 0.00 57.00 57.44 1ovv n GLN 16 Cb 0.48 -1.77 0.19 0.00 1.02 0.00 0.00 30.24 30.16 1ovv n GLN 16 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1ovv h TYR 17 N 0.00 0.00 -0.22 1.08 -1.99 -0.53 -2.47 116.97 112.84 1ovv h TYR 17 Ca -0.26 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.45 1ovv h TYR 17 Cb 1.85 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.57 1ovv h TYR 17 CO 0.00 0.28 0.05 0.00 -0.00 0.00 0.00 178.16 178.49 1ovv h ARG 18 N 0.00 0.36 -0.28 4.88 3.08 -1.34 0.55 114.38 121.63 1ovv h ARG 18 Ca -0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1ovv h ARG 18 Cb 1.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1ovv h ARG 18 CO 0.04 0.47 -0.33 0.93 -1.07 0.00 0.00 179.97 180.01 1ovv h GLU 19 N 0.18 0.60 0.13 0.04 5.08 -1.44 1.50 114.58 120.66 1ovv h GLU 19 Ca 0.07 -0.27 -0.32 0.00 -1.00 0.00 0.00 59.36 57.84 1ovv h GLU 19 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ovv h GLU 19 CO 0.00 0.85 -1.64 0.00 -1.00 0.00 0.00 179.01 177.22 1ovv h ALA 20 N 1.13 0.30 -0.29 3.43 0.00 -1.32 -2.39 119.26 120.13 1ovv h ALA 20 Ca 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 54.91 53.82 1ovv h ALA 20 Cb 0.82 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1ovv h ALA 20 CO 0.07 1.16 0.13 1.25 0.00 0.00 0.00 179.25 181.86 1ovv h LEU 21 N 0.07 0.19 -1.20 0.00 5.85 -0.69 -0.97 115.31 118.55 1ovv h LEU 21 Ca -0.29 0.02 0.44 0.00 0.84 0.00 0.00 57.88 58.89 1ovv h LEU 21 Cb 2.04 -0.02 -0.15 0.00 0.37 0.00 0.00 40.66 42.90 1ovv h LEU 21 CO 0.15 0.15 0.74 -0.62 -0.34 0.00 0.00 178.44 178.52 1ovv n GLU 22 N -4.98 -0.04 -0.00 1.25 1.02 0.51 -2.33 120.64 116.07 1ovv n GLU 22 Ca -0.01 1.26 0.04 0.00 -0.02 0.00 0.00 57.16 58.43 1ovv n GLU 22 Cb 0.08 -2.40 -0.05 0.00 -0.02 0.00 0.00 31.44 29.06 1ovv n GLU 22 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1ovv n TYR 23 N -4.84 0.00 -3.74 -0.32 9.36 -0.49 -4.98 117.16 112.15 1ovv n TYR 23 Ca 0.38 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.47 1ovv n TYR 23 Cb 1.42 -0.02 -0.09 0.00 -0.63 0.00 0.00 39.34 40.02 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 -1.84 0.04 -0.44 2.97 0.11 -0.51 -5.09 120.40 115.64 1ovv s VAL 24 Ca 0.02 -0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 58.62 1ovv s VAL 24 Cb 0.06 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1ovv s VAL 24 CO 0.33 -0.16 0.42 -0.75 -3.33 0.00 0.00 175.10 171.60 1ovv s LYS 25 N -0.84 3.03 -0.27 1.54 2.47 -1.26 -4.36 119.74 120.05 1ovv s LYS 25 Ca -0.09 -1.01 -0.03 0.00 -1.56 0.00 0.00 55.97 53.28 1ovv s LYS 25 Cb -0.04 -4.04 0.09 0.00 -1.46 0.00 0.00 37.83 32.38 1ovv s LYS 25 CO 0.03 -0.93 0.10 -0.51 0.16 0.00 0.00 175.35 174.21 1ovv s LEU 26 N 1.95 1.14 0.32 5.43 1.43 -1.26 -4.98 118.68 122.71 1ovv s LEU 26 Ca 0.08 -1.28 0.20 0.00 -1.03 0.00 0.00 54.13 52.11 1ovv s LEU 26 Cb -0.20 -0.53 1.12 0.00 0.03 0.00 0.00 46.19 46.61 1ovv s LEU 26 CO 0.11 -0.41 1.26 -2.65 0.23 0.00 0.00 176.35 174.88 1ovv n PRO 27 N 5.10 -0.04 0.19 1.29 -0.02 -1.26 0.77 135.00 141.04 1ovv n PRO 27 Ca -0.05 1.06 0.14 0.00 -2.02 0.00 0.00 63.50 62.63 1ovv n PRO 27 Cb 0.43 -1.98 0.45 0.00 -0.02 0.00 0.00 33.50 32.39 1ovv n PRO 27 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ovv h VAL 28 N 0.00 0.00 0.00 -1.45 3.04 -1.98 1.16 116.25 117.02 1ovv h VAL 28 Ca 0.69 -0.56 -0.03 0.00 -1.01 0.00 0.00 66.70 65.79 1ovv h VAL 28 Cb 1.97 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 32.74 1ovv h VAL 28 CO -0.52 0.00 -0.16 -0.07 -1.01 0.00 0.00 177.57 175.81 1ovv h LEU 29 N 0.00 0.00 0.00 3.16 3.38 -0.05 -2.70 115.31 119.10 1ovv h LEU 29 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ovv h LEU 29 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1ovv h LEU 29 CO 0.00 0.16 -1.53 0.00 0.09 0.00 0.00 178.44 177.15 1ovv n ALA 30 N -2.15 2.03 -0.11 1.53 0.00 0.32 -0.67 120.51 121.47 1ovv n ALA 30 Ca 0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 1ovv n ALA 30 Cb 0.55 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1ovv n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ovv h LYS 31 N 0.00 0.50 -0.10 0.00 1.63 0.78 -0.89 116.57 118.49 1ovv h LYS 31 Ca -0.17 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 1ovv h LYS 31 Cb 1.54 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1ovv h LYS 31 CO 0.04 0.48 0.01 0.82 -3.45 0.00 0.00 179.45 177.34 1ovv h ILE 32 N 0.40 1.23 -0.85 2.00 2.04 -1.40 -2.66 117.51 118.28 1ovv h ILE 32 Ca 0.11 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1ovv h ILE 32 Cb 0.16 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1ovv h ILE 32 CO -0.01 0.21 0.46 0.25 0.00 0.00 0.00 178.15 179.05 1ovv h LEU 33 N -0.09 1.06 -0.99 1.44 5.85 -0.58 1.22 115.31 123.23 1ovv h LEU 33 Ca 0.03 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.79 1ovv h LEU 33 Cb 0.32 -0.27 -0.16 0.00 0.37 0.00 0.00 40.66 40.92 1ovv h LEU 33 CO 0.00 0.86 -0.41 1.21 -0.34 0.00 0.00 178.44 179.77 1ovv n GLU 34 N -4.37 -0.25 -0.02 1.25 2.13 -0.37 -0.66 120.64 118.35 1ovv n GLU 34 Ca 0.08 1.53 0.00 0.00 0.66 0.00 0.00 57.16 59.44 1ovv n GLU 34 Cb 0.10 -2.27 0.31 0.00 0.27 0.00 0.00 31.44 29.85 1ovv n GLU 34 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1ovv h ASP 35 N 0.00 0.52 0.64 4.31 3.45 0.18 0.97 116.42 126.49 1ovv h ASP 35 Ca 0.33 -0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.65 1ovv h ASP 35 Cb 0.58 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1ovv h ASP 35 CO -0.98 0.54 -0.28 -0.33 -1.57 0.00 0.00 179.24 176.62 1ovv h GLU 36 N 0.55 0.00 0.15 3.56 4.39 -0.38 0.14 114.58 122.99 1ovv h GLU 36 Ca 0.12 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.53 1ovv h GLU 36 Cb 0.25 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1ovv h GLU 36 CO 0.00 0.28 -1.25 0.93 -1.16 0.00 0.00 179.01 177.81 1ovv h GLU 37 N 0.00 0.58 -0.41 2.33 5.08 -0.08 -2.09 114.58 119.99 1ovv h GLU 37 Ca -0.00 -0.83 0.07 0.00 -1.00 0.00 0.00 59.36 57.60 1ovv h GLU 37 Cb 0.68 0.28 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1ovv h GLU 37 CO 0.04 1.38 0.07 0.87 -1.00 0.00 0.00 179.01 180.36 1ovv h LYS 38 N 0.18 0.18 -0.47 2.33 1.57 -0.67 -0.53 116.57 119.16 1ovv h LYS 38 Ca -0.20 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1ovv h LYS 38 Cb 1.94 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1ovv h LYS 38 CO 0.24 0.12 0.27 0.45 -0.57 0.00 0.00 179.45 179.96 1ovv h HIS 39 N 0.19 0.63 -0.28 -1.35 3.86 -0.65 -0.40 115.15 117.15 1ovv h HIS 39 Ca 0.20 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1ovv h HIS 39 Cb 0.25 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1ovv h HIS 39 CO -0.22 0.46 0.02 0.82 0.86 0.00 0.00 177.93 179.88 1ovv h ILE 40 N 0.62 0.83 -0.42 2.45 2.04 -0.60 0.33 117.51 122.76 1ovv h ILE 40 Ca 0.17 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1ovv h ILE 40 Cb 0.03 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1ovv h ILE 40 CO -0.03 0.02 0.27 -0.08 0.00 0.00 0.00 178.15 178.34 1ovv h GLU 41 N 0.11 0.54 0.15 2.37 4.57 0.34 0.54 114.58 123.21 1ovv h GLU 41 Ca 0.13 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1ovv h GLU 41 Cb 0.16 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1ovv h GLU 41 CO -0.20 0.36 -0.41 -1.49 -1.18 0.00 0.00 179.01 176.09 1ovv h TRP 42 N 0.56 -1.15 -1.00 0.92 6.55 -0.20 0.16 115.95 121.79 1ovv h TRP 42 Ca 0.15 0.03 0.14 0.00 0.95 0.00 0.00 58.89 60.16 1ovv h TRP 42 Cb -0.06 0.48 -0.09 0.00 -0.86 0.00 0.00 29.16 28.64 1ovv h TRP 42 CO -0.05 -0.52 0.62 -0.07 -1.05 0.00 0.00 178.44 177.38 1ovv h LEU 43 N -0.66 0.87 -0.71 -4.49 3.38 0.25 -0.21 115.31 113.73 1ovv h LEU 43 Ca 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ovv h LEU 43 Cb 0.68 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1ovv h LEU 43 CO -0.22 0.42 0.34 -0.33 0.09 0.00 0.00 178.44 178.74 1ovv h GLU 44 N 0.91 1.03 0.55 1.13 5.08 0.13 0.67 114.58 124.07 1ovv h GLU 44 Ca 0.52 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1ovv h GLU 44 Cb 0.63 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ovv h GLU 44 CO -0.29 0.81 -0.30 1.15 -1.00 0.00 0.00 179.01 179.37 1ovv h THR 45 N 0.99 0.39 -1.00 1.13 2.02 0.94 0.40 112.91 117.78 1ovv h THR 45 Ca 0.24 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.61 1ovv h THR 45 Cb 0.12 0.39 -0.10 0.00 -1.74 0.00 0.00 68.15 66.82 1ovv h THR 45 CO -0.03 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.87 1ovv h ILE 46 N -0.78 0.72 -1.16 3.11 2.04 -0.53 -3.43 117.51 117.49 1ovv h ILE 46 Ca -0.07 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1ovv h ILE 46 Cb 0.62 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1ovv h ILE 46 CO 0.09 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.56 1ovv n LEU 47 N -4.72 0.00 0.00 1.44 7.99 0.23 -5.11 117.00 116.83 1ovv n LEU 47 Ca 0.23 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.29 1ovv n LEU 47 Cb 0.57 0.00 0.41 0.00 -0.11 0.00 0.00 43.42 44.29 1ovv n LEU 47 CO 0.23 -0.16 0.62 0.61 -1.51 0.00 0.00 177.39 177.18