#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovr h TYR 2 N 0.00 0.00 0.18 1.24 -0.00 -2.05 -1.00 116.97 115.34 1ovr h TYR 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.42 1ovr h TYR 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 36.73 36.75 1ovr h TYR 2 CO 0.00 0.43 -1.42 -0.07 -0.00 0.00 0.00 178.16 177.10 1ovr h LEU 3 N 0.00 0.61 0.08 0.10 3.38 -2.00 -0.69 115.31 116.78 1ovr h LEU 3 Ca -0.02 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.27 1ovr h LEU 3 Cb 1.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1ovr h LEU 3 CO 0.05 1.55 -0.11 -0.09 0.09 0.00 0.00 178.44 179.93 1ovr h ARG 4 N 0.11 -0.21 0.07 1.13 9.65 -1.96 -0.69 114.38 122.47 1ovr h ARG 4 Ca -0.22 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.70 1ovr h ARG 4 Cb 2.07 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 30.66 1ovr h ARG 4 CO 0.23 -0.14 -0.28 0.93 2.80 0.00 0.00 179.97 183.51 1ovr h GLU 5 N -0.22 -0.45 -0.87 0.20 5.08 -1.08 -1.95 114.58 115.30 1ovr h GLU 5 Ca 0.02 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.63 1ovr h GLU 5 Cb 0.23 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.44 1ovr h GLU 5 CO -0.05 -0.30 0.23 -0.07 -1.00 0.00 0.00 179.01 177.82 1ovr h LEU 6 N -0.46 0.00 -0.78 1.33 3.38 -1.05 -1.91 115.31 115.82 1ovr h LEU 6 Ca 0.04 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1ovr h LEU 6 Cb 0.52 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ovr h LEU 6 CO -0.20 -0.15 -0.27 0.25 0.09 0.00 0.00 178.44 178.17 1ovr h LEU 7 N 0.21 0.63 -0.46 1.67 5.85 -0.38 -2.62 115.31 120.21 1ovr h LEU 7 Ca 0.54 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 1ovr h LEU 7 Cb 1.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1ovr h LEU 7 CO -0.65 0.88 -0.02 0.50 -0.34 0.00 0.00 178.44 178.81 1ovr h LYS 8 N 0.54 0.83 -0.46 1.25 3.64 -0.79 -1.16 116.57 120.43 1ovr h LYS 8 Ca 0.07 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1ovr h LYS 8 Cb 0.74 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1ovr h LYS 8 CO 0.06 0.89 0.12 -0.07 -2.27 0.00 0.00 179.45 178.18 1ovr h LEU 9 N 0.68 0.63 -0.38 5.20 3.38 -1.48 -2.82 115.31 120.52 1ovr h LEU 9 Ca 0.13 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1ovr h LEU 9 Cb 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ovr h LEU 9 CO 0.03 0.62 -0.51 -0.33 0.09 0.00 0.00 178.44 178.34 1ovr h GLU 10 N 0.67 0.81 -0.59 1.13 4.39 -0.98 -1.85 114.58 118.17 1ovr h GLU 10 Ca 0.15 -0.49 0.09 0.00 0.34 0.00 0.00 59.36 59.45 1ovr h GLU 10 Cb 0.24 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1ovr h GLU 10 CO -0.00 1.12 0.20 -0.07 -1.16 0.00 0.00 179.01 179.10 1ovr h LEU 11 N 0.63 0.19 -0.69 1.33 3.38 -1.15 -1.09 115.31 117.92 1ovr h LEU 11 Ca 0.02 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ovr h LEU 11 Cb 1.10 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1ovr h LEU 11 CO 0.11 0.12 0.25 1.56 0.09 0.00 0.00 178.44 180.57 1ovr h GLN 12 N 0.38 1.04 -0.60 1.13 4.20 -1.38 -1.94 115.11 117.94 1ovr h GLN 12 Ca 0.30 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1ovr h GLN 12 Cb 0.37 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1ovr h GLN 12 CO -0.31 0.88 0.09 1.25 -0.67 0.00 0.00 178.83 180.07 1ovr h LEU 13 N 0.99 0.96 -0.53 1.46 5.85 -0.78 -2.00 115.31 121.25 1ovr h LEU 13 Ca 0.23 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1ovr h LEU 13 Cb 0.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1ovr h LEU 13 CO -0.01 0.98 -0.32 -0.29 -0.34 0.00 0.00 178.44 178.45 1ovr h ILE 14 N 0.90 1.28 -0.64 4.05 2.10 -1.10 -0.50 117.51 123.60 1ovr h ILE 14 Ca 0.18 -1.48 0.11 0.00 1.08 0.00 0.00 64.86 64.75 1ovr h ILE 14 Cb 0.44 1.33 -0.08 0.00 -1.09 0.00 0.00 36.82 37.41 1ovr h ILE 14 CO 0.01 0.49 0.19 0.50 -1.08 0.00 0.00 178.15 178.27 1ovr h LYS 15 N 0.71 0.33 -0.01 2.19 1.63 -0.66 0.40 116.57 121.15 1ovr h LYS 15 Ca 0.07 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.70 1ovr h LYS 15 Cb 0.88 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1ovr h LYS 15 CO 0.08 0.22 -0.71 1.96 -3.45 0.00 0.00 179.45 177.55 1ovr h GLN 16 N 0.34 0.07 -0.06 1.90 4.20 -0.93 -1.53 115.11 119.09 1ovr h GLN 16 Ca 0.34 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 1ovr h GLN 16 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ovr h GLN 16 CO -0.38 0.75 -0.34 1.88 -0.67 0.00 0.00 178.83 180.07 1ovr h TYR 17 N 0.05 0.14 -0.41 2.96 -1.99 -0.47 0.74 116.97 117.97 1ovr h TYR 17 Ca -0.01 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.63 1ovr h TYR 17 Cb 1.25 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.93 1ovr h TYR 17 CO 0.01 0.45 0.04 0.00 -0.00 0.00 0.00 178.16 178.66 1ovr h ARG 18 N 0.11 0.71 0.00 4.88 3.08 -0.49 -2.42 114.38 120.24 1ovr h ARG 18 Ca 0.01 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 1ovr h ARG 18 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1ovr h ARG 18 CO 0.05 0.76 -0.64 1.49 -1.07 0.00 0.00 179.97 180.57 1ovr h GLU 19 N 0.55 0.00 -0.41 0.04 4.81 -0.80 -2.81 114.58 115.96 1ovr h GLU 19 Ca 0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1ovr h GLU 19 Cb 0.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1ovr h GLU 19 CO 0.01 0.64 0.22 0.00 -0.73 0.00 0.00 179.01 179.15 1ovr h ALA 20 N 1.36 0.51 -0.00 2.92 0.00 0.64 -2.24 119.26 122.46 1ovr h ALA 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ovr h ALA 20 Cb 1.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ovr h ALA 20 CO 0.08 -0.13 -0.00 1.28 0.00 0.00 0.00 179.25 180.49 1ovr n LEU 21 N -4.89 0.02 0.11 0.00 4.77 -0.93 -1.28 117.00 114.80 1ovr n LEU 21 Ca 0.02 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 1ovr n LEU 21 Cb 0.08 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1ovr n LEU 21 CO 0.31 0.00 -0.13 -0.33 -1.33 0.00 0.00 177.39 175.92 1ovr h GLU 22 N 0.03 0.48 -0.55 3.23 5.08 -1.37 -3.38 114.58 118.10 1ovr h GLU 22 Ca 0.00 -0.79 -0.03 0.00 -1.00 0.00 0.00 59.36 57.54 1ovr h GLU 22 Cb 0.03 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ovr h GLU 22 CO 0.00 1.38 0.22 1.88 -1.00 0.00 0.00 179.01 181.48 1ovr h TYR 23 N 0.01 0.79 -1.73 4.33 -1.99 -0.59 -3.46 116.97 114.33 1ovr h TYR 23 Ca -0.21 -0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.50 1ovr h TYR 23 Cb 1.98 -0.25 -0.24 0.00 2.00 0.00 0.00 36.73 40.22 1ovr h TYR 23 CO 0.15 0.62 0.35 0.54 -0.00 0.00 0.00 178.16 179.82 1ovr s VAL 24 N -5.37 0.00 -0.16 -2.88 0.11 -0.67 -5.11 120.40 106.32 1ovr s VAL 24 Ca -0.10 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.72 1ovr s VAL 24 Cb 0.16 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1ovr s VAL 24 CO 0.78 0.00 0.75 -0.54 -3.33 0.00 0.00 175.10 172.76 1ovr s LYS 25 N 0.26 4.29 -0.38 1.54 1.02 -1.26 -4.40 119.74 120.81 1ovr s LYS 25 Ca 0.02 0.87 -0.04 0.00 0.02 0.00 0.00 55.97 56.84 1ovr s LYS 25 Cb -0.05 -3.56 0.21 0.00 -0.52 0.00 0.00 37.83 33.91 1ovr s LYS 25 CO -0.04 -0.24 1.01 -1.17 -0.92 0.00 0.00 175.35 173.99 1ovr s LEU 26 N 1.88 -0.55 0.38 3.17 0.20 -1.26 -5.02 118.68 117.48 1ovr s LEU 26 Ca 0.35 -0.62 0.12 0.00 0.69 0.00 0.00 54.13 54.67 1ovr s LEU 26 Cb -0.16 0.72 0.91 0.00 -0.43 0.00 0.00 46.19 47.23 1ovr s LEU 26 CO 0.12 -0.02 1.88 -0.65 -0.29 0.00 0.00 176.35 177.39 1ovr h PRO 27 N 4.53 0.57 -0.96 0.98 0.11 -2.01 0.20 132.00 135.43 1ovr h PRO 27 Ca 0.01 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.14 1ovr h PRO 27 Cb 1.16 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1ovr h PRO 27 CO -0.08 0.38 0.62 -0.24 -0.21 0.00 0.00 178.00 178.47 1ovr h VAL 28 N 0.58 1.09 -0.55 3.15 3.04 -2.00 0.33 116.25 121.90 1ovr h VAL 28 Ca 0.43 -0.39 0.08 0.00 -1.01 0.00 0.00 66.70 65.81 1ovr h VAL 28 Cb 0.79 -0.13 -0.07 0.00 -2.01 0.00 0.00 31.29 29.88 1ovr h VAL 28 CO -0.18 0.21 0.19 -0.07 -1.01 0.00 0.00 177.57 176.71 1ovr h LEU 29 N 1.12 0.19 -1.74 3.16 3.38 -1.02 -1.57 115.31 118.83 1ovr h LEU 29 Ca 0.41 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.50 1ovr h LEU 29 Cb 0.15 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1ovr h LEU 29 CO -0.15 0.12 0.27 0.00 0.09 0.00 0.00 178.44 178.77 1ovr h ALA 30 N 1.38 1.96 0.00 1.53 0.00 -0.29 -0.23 119.26 123.61 1ovr h ALA 30 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1ovr h ALA 30 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ovr h ALA 30 CO -0.28 -0.03 -0.17 0.87 0.00 0.00 0.00 179.25 179.63 1ovr h LYS 31 N 0.33 0.00 0.05 0.00 1.57 -0.85 -2.72 116.57 114.94 1ovr h LYS 31 Ca 0.17 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1ovr h LYS 31 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ovr h LYS 31 CO -0.04 0.17 -0.51 0.82 -0.57 0.00 0.00 179.45 179.33 1ovr h ILE 32 N 0.00 1.54 -0.86 1.86 2.04 -0.87 -2.61 117.51 118.61 1ovr h ILE 32 Ca -0.00 -2.38 0.21 0.00 1.00 0.00 0.00 64.86 63.68 1ovr h ILE 32 Cb 0.64 3.13 -0.15 0.00 -0.74 0.00 0.00 36.82 39.70 1ovr h ILE 32 CO 0.02 0.61 -0.01 0.25 0.00 0.00 0.00 178.15 179.02 1ovr h LEU 33 N -0.77 -0.44 -0.12 1.44 6.46 -1.38 1.16 115.31 121.65 1ovr h LEU 33 Ca -0.11 0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1ovr h LEU 33 Cb 1.28 0.42 -0.03 0.00 -0.73 0.00 0.00 40.66 41.59 1ovr h LEU 33 CO 0.02 -0.25 -0.07 -0.08 -0.62 0.00 0.00 178.44 177.43 1ovr h GLU 34 N 0.07 -0.07 -0.50 1.25 4.81 -1.42 0.36 114.58 119.07 1ovr h GLU 34 Ca 0.48 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.80 1ovr h GLU 34 Cb 0.89 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 1ovr h GLU 34 CO -0.78 -0.05 0.12 -0.44 -0.73 0.00 0.00 179.01 177.13 1ovr h ASP 35 N -0.07 0.05 0.14 1.04 3.32 0.43 -1.98 116.42 119.34 1ovr h ASP 35 Ca 0.07 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1ovr h ASP 35 Cb 0.18 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1ovr h ASP 35 CO -0.17 0.06 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.68 1ovr h GLU 36 N 0.27 0.35 0.09 3.56 4.39 0.23 0.18 114.58 123.64 1ovr h GLU 36 Ca 0.25 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1ovr h GLU 36 Cb 0.32 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1ovr h GLU 36 CO -0.30 0.69 -0.04 0.93 -1.16 0.00 0.00 179.01 179.13 1ovr h GLU 37 N 0.29 -0.12 -0.44 2.33 5.08 -0.02 -1.36 114.58 120.35 1ovr h GLU 37 Ca 0.03 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1ovr h GLU 37 Cb 0.83 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 1ovr h GLU 37 CO 0.07 0.01 -0.14 0.87 -1.00 0.00 0.00 179.01 178.82 1ovr h LYS 38 N -0.22 -0.04 -0.74 2.33 1.79 -0.83 -0.99 116.57 117.87 1ovr h LYS 38 Ca -0.01 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 1ovr h LYS 38 Cb 0.18 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 1ovr h LYS 38 CO 0.02 -0.03 0.39 0.45 -1.08 0.00 0.00 179.45 179.20 1ovr h HIS 39 N -0.04 0.69 -0.51 -1.35 3.86 -0.52 -1.03 115.15 116.26 1ovr h HIS 39 Ca 0.21 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1ovr h HIS 39 Cb 0.36 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1ovr h HIS 39 CO -0.41 0.26 0.27 0.82 0.86 0.00 0.00 177.93 179.73 1ovr h ILE 40 N 0.65 1.18 0.24 2.45 2.04 -0.16 -2.06 117.51 121.86 1ovr h ILE 40 Ca 0.37 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1ovr h ILE 40 Cb 0.38 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1ovr h ILE 40 CO -0.27 0.19 -0.45 -0.08 0.00 0.00 0.00 178.15 177.55 1ovr h GLU 41 N 0.67 -0.74 -0.30 2.37 4.81 0.02 -1.64 114.58 119.77 1ovr h GLU 41 Ca 0.18 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 1ovr h GLU 41 Cb 0.07 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 1ovr h GLU 41 CO -0.03 -0.49 -0.36 -1.49 -0.73 0.00 0.00 179.01 175.91 1ovr h TRP 42 N -0.77 -1.00 -0.93 0.92 6.55 -0.83 0.15 115.95 120.04 1ovr h TRP 42 Ca -0.01 0.05 0.04 0.00 0.95 0.00 0.00 58.89 59.93 1ovr h TRP 42 Cb 0.74 0.48 -0.06 0.00 -0.86 0.00 0.00 29.16 29.47 1ovr h TRP 42 CO -0.33 -0.41 0.61 -0.07 -1.05 0.00 0.00 178.44 177.19 1ovr h LEU 43 N -0.33 0.99 -0.85 -4.49 3.38 -1.34 -0.91 115.31 111.75 1ovr h LEU 43 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1ovr h LEU 43 Cb 0.56 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1ovr h LEU 43 CO -0.48 0.67 0.12 -0.33 0.09 0.00 0.00 178.44 178.51 1ovr h GLU 44 N 1.14 0.98 0.73 1.13 5.08 0.05 -1.30 114.58 122.39 1ovr h GLU 44 Ca 0.38 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ovr h GLU 44 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ovr h GLU 44 CO -0.12 0.89 -0.47 1.15 -1.00 0.00 0.00 179.01 179.46 1ovr h THR 45 N 0.93 0.05 -0.28 1.13 2.02 0.37 -2.94 112.91 114.20 1ovr h THR 45 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1ovr h THR 45 Cb 0.37 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ovr h THR 45 CO 0.01 0.00 0.19 0.40 0.37 0.00 0.00 175.52 176.48 1ovr h ILE 46 N -1.14 0.98 -0.65 3.11 2.04 -1.09 -3.39 117.51 117.37 1ovr h ILE 46 Ca -0.10 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ovr h ILE 46 Cb 0.92 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ovr h ILE 46 CO 0.08 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1ovr n LEU 47 N -4.49 0.00 0.00 1.44 4.77 -0.50 -5.11 117.00 113.11 1ovr n LEU 47 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ovr n LEU 47 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ovr n LEU 47 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02