#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 -0.24 -0.67 -0.00 -2.05 1.00 116.97 115.01 1ovr h TYR 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1ovr h TYR 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1ovr h TYR 2 CO 0.00 0.16 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.04 1ovr h LEU 3 N 0.00 0.44 0.21 0.10 3.38 -2.01 -2.85 115.31 114.58 1ovr h LEU 3 Ca -0.00 -0.13 -0.33 0.00 0.09 0.00 0.00 57.88 57.51 1ovr h LEU 3 Cb 0.44 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ovr h LEU 3 CO 0.02 0.66 -1.48 -0.09 0.09 0.00 0.00 178.44 177.64 1ovr h ARG 4 N 0.40 0.45 0.00 1.13 2.43 0.48 -1.96 114.38 117.31 1ovr h ARG 4 Ca 0.07 -0.76 -0.05 0.00 -0.81 0.00 0.00 59.98 58.42 1ovr h ARG 4 Cb 0.59 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1ovr h ARG 4 CO 0.04 1.36 -0.25 1.49 -1.51 0.00 0.00 179.97 181.10 1ovr h GLU 5 N 0.12 0.00 0.56 0.20 4.57 -0.91 0.27 114.58 119.39 1ovr h GLU 5 Ca -0.24 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 1ovr h GLU 5 Cb 2.11 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.71 1ovr h GLU 5 CO 0.24 0.25 -0.27 -0.07 -1.18 0.00 0.00 179.01 177.99 1ovr h LEU 6 N 0.00 -0.63 -1.70 1.64 3.38 -1.24 -2.53 115.31 114.22 1ovr h LEU 6 Ca -0.00 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1ovr h LEU 6 Cb 0.67 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ovr h LEU 6 CO 0.03 -0.26 0.41 0.25 0.09 0.00 0.00 178.44 178.96 1ovr h LEU 7 N -1.07 0.30 -1.15 1.67 5.85 -1.03 -0.95 115.31 118.92 1ovr h LEU 7 Ca -0.08 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1ovr h LEU 7 Cb 0.64 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ovr h LEU 7 CO 0.13 0.17 -0.32 0.50 -0.34 0.00 0.00 178.44 178.58 1ovr h LYS 8 N 0.33 0.18 0.19 1.25 3.64 -0.84 -2.72 116.57 118.59 1ovr h LYS 8 Ca 0.29 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.32 1ovr h LYS 8 Cb 0.68 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1ovr h LYS 8 CO -0.07 0.48 -1.20 -0.07 -2.27 0.00 0.00 179.45 176.33 1ovr h LEU 9 N 0.16 0.73 -1.92 5.20 3.38 -0.74 -3.17 115.31 118.95 1ovr h LEU 9 Ca 0.02 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 1ovr h LEU 9 Cb 0.65 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ovr h LEU 9 CO 0.05 1.58 -0.12 -0.33 0.09 0.00 0.00 178.44 179.71 1ovr h GLU 10 N 0.00 0.00 0.33 1.13 4.39 -1.37 0.43 114.58 119.49 1ovr h GLU 10 Ca -0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1ovr h GLU 10 Cb 1.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1ovr h GLU 10 CO 0.23 0.12 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.96 1ovr h LEU 11 N 0.00 -0.38 -1.09 1.33 -0.00 -1.51 1.18 115.31 114.84 1ovr h LEU 11 Ca -0.00 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1ovr h LEU 11 Cb 0.27 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.97 1ovr h LEU 11 CO 0.02 -0.11 0.62 1.56 -0.00 0.00 0.00 178.44 180.52 1ovr h GLN 12 N -0.64 1.11 -0.39 1.13 4.20 -1.42 0.90 115.11 120.00 1ovr h GLN 12 Ca -0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1ovr h GLN 12 Cb 0.46 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1ovr h GLN 12 CO 0.07 0.73 0.10 1.25 -0.67 0.00 0.00 178.83 180.32 1ovr h LEU 13 N 1.14 0.58 -0.74 1.46 5.85 0.05 -1.14 115.31 122.51 1ovr h LEU 13 Ca 0.39 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1ovr h LEU 13 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ovr h LEU 13 CO -0.13 0.66 -0.49 0.40 -0.34 0.00 0.00 178.44 178.53 1ovr h ILE 14 N 0.48 1.34 -0.07 4.05 2.04 0.30 -2.35 117.51 123.29 1ovr h ILE 14 Ca 0.12 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1ovr h ILE 14 Cb 0.30 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1ovr h ILE 14 CO -0.00 0.52 0.01 0.50 0.00 0.00 0.00 178.15 179.18 1ovr h LYS 15 N 0.27 0.12 -0.32 2.37 3.64 0.11 -2.26 116.57 120.49 1ovr h LYS 15 Ca 0.01 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1ovr h LYS 15 Cb 0.96 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1ovr h LYS 15 CO 0.08 0.34 0.08 1.96 -2.27 0.00 0.00 179.45 179.64 1ovr h GLN 16 N -0.12 0.20 -0.71 1.90 7.50 -1.13 -0.94 115.11 121.80 1ovr h GLN 16 Ca 0.02 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1ovr h GLN 16 Cb 0.28 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 1ovr h GLN 16 CO 0.00 0.13 0.44 1.88 -1.50 0.00 0.00 178.83 179.78 1ovr h TYR 17 N 0.20 0.92 -0.19 2.96 0.99 -1.35 -0.99 116.97 119.51 1ovr h TYR 17 Ca 0.15 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.82 1ovr h TYR 17 Cb 0.15 -0.31 -0.00 0.00 1.00 0.00 0.00 36.73 37.57 1ovr h TYR 17 CO -0.17 0.61 -0.16 0.00 -0.00 0.00 0.00 178.16 178.45 1ovr h ARG 18 N 0.98 0.44 -0.68 4.88 3.08 -0.85 0.34 114.38 122.58 1ovr h ARG 18 Ca 0.26 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 60.17 1ovr h ARG 18 Cb -0.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1ovr h ARG 18 CO -0.05 0.78 0.34 0.93 -1.07 0.00 0.00 179.97 180.90 1ovr h GLU 19 N 0.11 0.59 -0.30 0.04 5.08 -0.77 -2.05 114.58 117.29 1ovr h GLU 19 Ca 0.03 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1ovr h GLU 19 Cb 0.68 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ovr h GLU 19 CO 0.04 0.39 -0.51 0.00 -1.00 0.00 0.00 179.01 177.93 1ovr h ALA 20 N 1.39 0.53 0.00 3.43 0.00 -0.83 -2.72 119.26 121.07 1ovr h ALA 20 Ca 0.32 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ovr h ALA 20 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ovr h ALA 20 CO -0.24 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 180.92 1ovr h LEU 21 N 0.66 0.00 -0.51 0.00 7.12 0.38 0.21 115.31 123.17 1ovr h LEU 21 Ca 0.02 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 1ovr h LEU 21 Cb 1.10 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 1ovr h LEU 21 CO 0.11 0.02 -0.72 -0.33 -0.13 0.00 0.00 178.44 177.39 1ovr h GLU 22 N 0.00 0.16 0.00 1.25 5.08 -1.13 -3.34 114.58 116.61 1ovr h GLU 22 Ca -0.00 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1ovr h GLU 22 Cb 0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ovr h GLU 22 CO 0.00 0.82 -1.65 0.66 -1.00 0.00 0.00 179.01 177.84 1ovr n TYR 23 N -3.75 0.00 -4.13 4.33 4.02 -0.72 -4.95 117.16 111.96 1ovr n TYR 23 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1ovr n TYR 23 Cb 0.70 -0.43 -0.08 0.00 -0.02 0.00 0.00 39.34 39.52 1ovr n TYR 23 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ovr s VAL 24 N -2.45 4.28 -0.43 -0.72 1.01 0.66 -5.02 120.40 117.74 1ovr s VAL 24 Ca -0.05 -0.79 0.16 0.00 0.00 0.00 0.00 61.98 61.30 1ovr s VAL 24 Cb 0.05 -3.01 0.68 0.00 0.00 0.00 0.00 36.38 34.09 1ovr s VAL 24 CO 0.45 0.19 1.59 0.29 0.00 0.00 0.00 175.10 177.63 1ovr n LYS 25 N 0.75 3.93 -2.36 2.72 4.01 -1.26 -4.36 118.16 121.59 1ovr n LYS 25 Ca -0.11 -2.95 -0.43 0.00 -0.51 0.00 0.00 58.31 54.32 1ovr n LYS 25 Cb 0.52 -2.00 -0.02 0.00 -0.51 0.00 0.00 35.03 33.01 1ovr n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ovr s LEU 26 N -2.52 3.54 0.23 -0.35 1.43 -1.26 -4.98 118.68 114.77 1ovr s LEU 26 Ca 0.48 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1ovr s LEU 26 Cb 0.36 -3.43 0.28 0.00 0.03 0.00 0.00 46.19 43.43 1ovr s LEU 26 CO 0.15 -1.51 1.85 -0.65 0.23 0.00 0.00 176.35 176.42 1ovr h PRO 27 N 10.84 0.88 -1.10 1.29 0.11 -2.00 -0.96 132.00 141.06 1ovr h PRO 27 Ca -0.27 -0.05 0.44 0.00 0.11 0.00 0.00 66.00 66.22 1ovr h PRO 27 Cb 1.10 -0.20 -0.17 0.00 0.11 0.00 0.00 31.00 31.84 1ovr h PRO 27 CO 1.11 0.58 0.63 -0.24 -0.21 0.00 0.00 178.00 179.87 1ovr h VAL 28 N 0.91 0.00 -0.86 3.15 3.04 -1.99 1.32 116.25 121.83 1ovr h VAL 28 Ca 0.34 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.02 1ovr h VAL 28 Cb 0.12 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.36 1ovr h VAL 28 CO -0.15 0.00 0.51 -0.07 -1.01 0.00 0.00 177.57 176.85 1ovr h LEU 29 N 0.00 1.03 -0.25 3.16 3.38 -1.58 -0.54 115.31 120.52 1ovr h LEU 29 Ca 0.86 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.55 1ovr h LEU 29 Cb 2.40 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.89 1ovr h LEU 29 CO -0.69 0.80 -0.88 0.00 0.09 0.00 0.00 178.44 177.75 1ovr h ALA 30 N 1.28 0.45 -0.61 1.53 0.00 0.15 -1.77 119.26 120.29 1ovr h ALA 30 Ca 0.31 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ovr h ALA 30 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ovr h ALA 30 CO -0.06 0.83 0.37 -0.22 0.00 0.00 0.00 179.25 180.17 1ovr h LYS 31 N 0.21 0.82 -0.12 0.00 3.11 -0.59 -1.67 116.57 118.33 1ovr h LYS 31 Ca -0.06 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.68 1ovr h LYS 31 Cb 1.50 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1ovr h LYS 31 CO 0.15 0.58 -0.05 0.82 -2.81 0.00 0.00 179.45 178.14 1ovr h ILE 32 N 0.82 1.31 -0.29 2.00 2.04 -0.50 -2.61 117.51 120.29 1ovr h ILE 32 Ca 0.22 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.07 1ovr h ILE 32 Cb -0.03 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1ovr h ILE 32 CO -0.04 0.31 -0.01 0.25 0.00 0.00 0.00 178.15 178.65 1ovr h LEU 33 N -0.09 -0.14 -1.24 1.44 5.85 -1.33 -0.20 115.31 119.60 1ovr h LEU 33 Ca 0.03 0.07 0.32 0.00 0.84 0.00 0.00 57.88 59.14 1ovr h LEU 33 Cb 0.50 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 1ovr h LEU 33 CO 0.02 -0.04 0.68 -0.08 -0.34 0.00 0.00 178.44 178.68 1ovr h GLU 34 N 0.07 0.30 -0.35 1.25 4.81 -0.94 -0.38 114.58 119.33 1ovr h GLU 34 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1ovr h GLU 34 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ovr h GLU 34 CO -0.24 0.20 0.05 -0.44 -0.73 0.00 0.00 179.01 177.84 1ovr h ASP 35 N 0.31 0.57 -0.09 1.04 3.32 -0.70 -2.68 116.42 118.20 1ovr h ASP 35 Ca 0.70 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 1ovr h ASP 35 Cb 1.80 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1ovr h ASP 35 CO -0.43 0.69 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.37 1ovr h GLU 36 N 0.42 0.21 -0.83 3.56 4.39 -0.92 -0.02 114.58 121.39 1ovr h GLU 36 Ca 0.11 -0.11 0.21 0.00 0.34 0.00 0.00 59.36 59.90 1ovr h GLU 36 Cb 0.37 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.89 1ovr h GLU 36 CO 0.01 0.64 0.14 0.93 -1.16 0.00 0.00 179.01 179.56 1ovr h GLU 37 N -0.20 0.16 -0.48 2.33 5.08 -1.28 0.67 114.58 120.86 1ovr h GLU 37 Ca 0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1ovr h GLU 37 Cb 0.59 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ovr h GLU 37 CO 0.02 0.11 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.77 1ovr h LYS 38 N 0.17 0.91 -0.82 2.33 3.64 -1.08 -2.47 116.57 119.25 1ovr h LYS 38 Ca 0.49 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1ovr h LYS 38 Cb 0.95 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1ovr h LYS 38 CO -0.66 1.00 0.54 0.45 -2.27 0.00 0.00 179.45 178.51 1ovr h HIS 39 N 0.81 1.03 -0.39 1.91 3.86 0.15 -2.75 115.15 119.76 1ovr h HIS 39 Ca 0.12 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 1ovr h HIS 39 Cb 0.69 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1ovr h HIS 39 CO 0.04 0.65 -0.17 0.82 0.86 0.00 0.00 177.93 180.13 1ovr h ILE 40 N 1.11 1.28 -0.80 2.45 2.04 0.60 0.83 117.51 125.02 1ovr h ILE 40 Ca 0.30 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.93 1ovr h ILE 40 Cb -0.12 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1ovr h ILE 40 CO -0.07 0.43 0.48 -0.08 0.00 0.00 0.00 178.15 178.92 1ovr h GLU 41 N 0.62 0.85 -0.35 2.37 4.81 -1.31 0.20 114.58 121.78 1ovr h GLU 41 Ca 0.09 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1ovr h GLU 41 Cb 0.71 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1ovr h GLU 41 CO 0.05 0.56 0.03 -1.49 -0.73 0.00 0.00 179.01 177.44 1ovr h TRP 42 N 0.88 0.63 -0.23 0.92 6.55 -1.09 -1.41 115.95 122.20 1ovr h TRP 42 Ca 0.36 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 60.09 1ovr h TRP 42 Cb 0.19 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1ovr h TRP 42 CO -0.05 0.67 0.11 -0.07 -1.05 0.00 0.00 178.44 178.06 1ovr h LEU 43 N 0.41 0.28 -0.39 -4.49 3.38 0.00 -1.84 115.31 112.67 1ovr h LEU 43 Ca 0.10 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1ovr h LEU 43 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ovr h LEU 43 CO 0.01 0.24 -0.07 -0.33 0.09 0.00 0.00 178.44 178.38 1ovr h GLU 44 N 0.32 0.74 -0.73 1.13 5.08 0.10 0.31 114.58 121.53 1ovr h GLU 44 Ca 0.08 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1ovr h GLU 44 Cb 0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1ovr h GLU 44 CO -0.01 0.87 0.38 1.15 -1.00 0.00 0.00 179.01 180.39 1ovr h THR 45 N 0.55 1.23 -0.79 1.13 2.02 -0.76 -1.92 112.91 114.36 1ovr h THR 45 Ca 0.10 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1ovr h THR 45 Cb 0.58 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1ovr h THR 45 CO 0.03 0.26 0.37 0.40 0.37 0.00 0.00 175.52 176.96 1ovr h ILE 46 N 1.01 1.25 0.00 3.11 2.04 -1.23 -3.05 117.51 120.64 1ovr h ILE 46 Ca 0.25 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1ovr h ILE 46 Cb 0.07 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1ovr h ILE 46 CO -0.04 0.30 0.00 0.18 0.00 0.00 0.00 178.15 178.60 1ovr n LEU 47 N -4.35 0.00 0.00 1.44 4.77 0.09 -5.11 117.00 113.84 1ovr n LEU 47 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ovr n LEU 47 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ovr n LEU 47 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07