#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvo n TYR 2 N 0.00 0.00 -0.26 -0.67 4.01 -1.26 -0.45 117.16 118.53 1nvo n TYR 2 Ca 0.00 0.00 0.29 0.00 -0.16 0.00 0.00 57.90 58.03 1nvo n TYR 2 Cb 0.00 -0.26 0.67 0.00 -0.31 0.00 0.00 39.34 39.44 1nvo n TYR 2 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1nvo h LEU 3 N 0.00 0.13 -1.16 7.72 4.07 -2.01 0.13 115.31 124.20 1nvo h LEU 3 Ca 0.00 0.02 0.30 0.00 0.08 0.00 0.00 57.88 58.29 1nvo h LEU 3 Cb 0.00 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.61 1nvo h LEU 3 CO 0.00 0.03 0.64 0.08 -1.08 0.00 0.00 178.44 178.12 1nvo h ARG 4 N 0.12 0.36 0.00 1.13 0.11 -1.18 0.14 114.38 115.06 1nvo h ARG 4 Ca 0.51 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.52 1nvo h ARG 4 Cb 1.81 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.80 1nvo h ARG 4 CO -0.08 0.24 -0.26 0.93 0.10 0.00 0.00 179.97 180.89 1nvo h GLU 5 N 0.37 0.00 -0.08 0.08 5.08 -0.95 0.21 114.58 119.30 1nvo h GLU 5 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1nvo h GLU 5 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1nvo h GLU 5 CO -0.46 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 1nvo n LEU 6 N -3.70 2.39 0.01 1.33 4.32 0.46 -4.15 117.00 117.67 1nvo n LEU 6 Ca -0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 56.01 55.13 1nvo n LEU 6 Cb 0.37 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1nvo n LEU 6 CO 0.34 0.42 -0.09 0.00 -1.22 0.00 0.00 177.39 176.85 1nvo n LEU 7 N 0.85 0.01 -0.03 2.23 -0.00 -1.02 -4.58 117.00 114.45 1nvo n LEU 7 Ca 0.17 0.04 -0.10 0.00 -0.00 0.00 0.00 56.01 56.12 1nvo n LEU 7 Cb 0.49 0.03 0.06 0.00 -0.00 0.00 0.00 43.42 43.99 1nvo n LEU 7 CO 0.15 -0.44 0.54 0.50 -0.00 0.00 0.00 177.39 178.15 1nvo h LYS 8 N 0.00 0.66 -0.20 1.47 3.64 -0.83 0.77 116.57 122.09 1nvo h LYS 8 Ca 0.00 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1nvo h LYS 8 Cb 0.18 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1nvo h LYS 8 CO 0.00 0.98 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.08 1nvo h LEU 9 N 0.53 0.34 -0.93 5.20 3.38 -1.72 -3.20 115.31 118.91 1nvo h LEU 9 Ca 0.03 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.86 1nvo h LEU 9 Cb 0.99 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1nvo h LEU 9 CO 0.09 0.57 0.52 -0.33 0.09 0.00 0.00 178.44 179.38 1nvo h GLU 10 N 0.10 0.69 -0.82 1.13 4.39 -1.52 0.42 114.58 118.96 1nvo h GLU 10 Ca 0.06 -0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.87 1nvo h GLU 10 Cb 0.40 -0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 1nvo h GLU 10 CO 0.01 0.46 0.38 1.25 -1.16 0.00 0.00 179.01 179.94 1nvo h LEU 11 N 0.71 0.40 -1.87 1.33 6.46 -0.88 0.18 115.31 121.64 1nvo h LEU 11 Ca 0.51 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.38 1nvo h LEU 11 Cb 0.74 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1nvo h LEU 11 CO -0.37 0.14 -0.00 1.56 -0.62 0.00 0.00 178.44 179.15 1nvo h GLN 12 N 0.52 0.07 -0.07 1.25 4.20 -0.98 -0.79 115.11 119.30 1nvo h GLN 12 Ca 0.46 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 59.08 1nvo h GLN 12 Cb 0.71 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1nvo h GLN 12 CO -0.41 0.09 -0.27 -0.07 -0.67 0.00 0.00 178.83 177.50 1nvo h LEU 13 N 0.07 0.36 -0.56 1.46 3.38 -0.59 0.24 115.31 119.68 1nvo h LEU 13 Ca 0.02 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 1nvo h LEU 13 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nvo h LEU 13 CO 0.00 0.93 0.20 0.40 0.09 0.00 0.00 178.44 180.06 1nvo h ILE 14 N -0.18 1.23 -0.18 1.22 5.03 -1.07 0.65 117.51 124.20 1nvo h ILE 14 Ca -0.01 -0.75 0.04 0.00 -0.12 0.00 0.00 64.86 64.01 1nvo h ILE 14 Cb 0.91 0.68 -0.03 0.00 -3.03 0.00 0.00 36.82 35.34 1nvo h ILE 14 CO 0.06 0.28 -0.04 0.50 -0.68 0.00 0.00 178.15 178.27 1nvo h LYS 15 N 0.77 0.00 -0.12 2.37 3.11 -1.15 -1.20 116.57 120.35 1nvo h LYS 15 Ca 0.18 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.95 1nvo h LYS 15 Cb 0.24 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1nvo h LYS 15 CO -0.01 0.00 -0.24 1.96 -2.81 0.00 0.00 179.45 178.35 1nvo h GLN 16 N 0.00 0.20 -0.14 1.90 1.08 0.16 -1.26 115.11 117.06 1nvo h GLN 16 Ca 0.09 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1nvo h GLN 16 Cb 0.13 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1nvo h GLN 16 CO -0.19 0.44 -0.27 1.88 -0.95 0.00 0.00 178.83 179.74 1nvo h TYR 17 N 0.19 0.28 -0.04 2.96 0.05 0.78 0.26 116.97 121.45 1nvo h TYR 17 Ca 0.03 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1nvo h TYR 17 Cb 0.54 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1nvo h TYR 17 CO 0.01 0.51 -0.09 0.00 -1.05 0.00 0.00 178.16 177.53 1nvo h ARG 18 N 0.23 0.13 -0.67 4.88 3.08 -0.40 0.30 114.38 121.92 1nvo h ARG 18 Ca 0.03 -0.09 0.14 0.00 0.07 0.00 0.00 59.98 60.14 1nvo h ARG 18 Cb 0.60 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 1nvo h ARG 18 CO 0.04 0.69 0.08 1.49 -1.07 0.00 0.00 179.97 181.20 1nvo h GLU 19 N -0.41 0.18 0.05 0.04 4.81 -0.97 -2.63 114.58 115.64 1nvo h GLU 19 Ca -0.00 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1nvo h GLU 19 Cb 0.69 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1nvo h GLU 19 CO 0.02 0.12 -1.27 0.00 -0.73 0.00 0.00 179.01 177.15 1nvo h ALA 20 N 1.59 0.33 -0.73 2.92 0.00 -0.44 -3.35 119.26 119.58 1nvo h ALA 20 Ca 0.37 -1.02 0.16 0.00 0.00 0.00 0.00 54.91 54.41 1nvo h ALA 20 Cb 0.61 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1nvo h ALA 20 CO -0.52 1.21 -0.07 1.25 0.00 0.00 0.00 179.25 181.12 1nvo h LEU 21 N 0.03 -0.47 -0.05 0.00 5.85 -0.01 0.18 115.31 120.85 1nvo h LEU 21 Ca -0.13 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1nvo h LEU 21 Cb 1.90 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 43.31 1nvo h LEU 21 CO 0.15 -0.20 0.00 -0.33 -0.34 0.00 0.00 178.44 177.72 1nvo h GLU 22 N 0.06 0.08 -0.39 1.25 4.39 -1.68 0.19 114.58 118.48 1nvo h GLU 22 Ca 0.38 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1nvo h GLU 22 Cb 0.65 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1nvo h GLU 22 CO -0.69 0.36 0.20 -0.92 -1.16 0.00 0.00 179.01 176.80 1nvo h TYR 23 N -0.20 0.53 0.00 4.33 3.20 -1.46 -2.68 116.97 120.68 1nvo h TYR 23 Ca 0.01 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 1nvo h TYR 23 Cb 0.32 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1nvo h TYR 23 CO 0.03 0.38 -0.91 0.28 -1.64 0.00 0.00 178.16 176.30 1nvo h VAL 24 N 0.55 0.99 -5.89 1.81 2.07 -0.43 -3.49 116.25 111.86 1nvo h VAL 24 Ca 0.14 -2.50 -0.38 0.00 0.82 0.00 0.00 66.70 64.78 1nvo h VAL 24 Cb 0.04 2.44 0.11 0.00 -1.52 0.00 0.00 31.29 32.36 1nvo h VAL 24 CO -0.02 0.56 -0.80 0.29 0.02 0.00 0.00 177.57 177.63 1nvo n LYS 25 N -3.17 -5.81 -3.90 1.57 5.02 0.64 -5.01 118.16 107.51 1nvo n LYS 25 Ca -0.02 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.69 1nvo n LYS 25 Cb 0.83 -5.52 -0.16 0.00 -0.02 0.00 0.00 35.03 30.17 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nvo s LEU 26 N -6.58 2.55 0.38 -0.35 2.96 -1.24 -5.02 118.68 111.37 1nvo s LEU 26 Ca 0.05 -1.26 0.06 0.00 -0.22 0.00 0.00 54.13 52.75 1nvo s LEU 26 Cb -0.02 -1.12 0.77 0.00 0.50 0.00 0.00 46.19 46.32 1nvo s LEU 26 CO 0.77 -0.27 2.00 1.55 -1.32 0.00 0.00 176.35 179.08 1nvo h PRO 27 N 7.97 0.68 -0.98 0.98 0.13 -1.95 -0.87 132.00 137.97 1nvo h PRO 27 Ca -0.16 -0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.16 1nvo h PRO 27 Cb 1.07 -0.15 -0.08 0.00 0.13 0.00 0.00 31.00 31.96 1nvo h PRO 27 CO 0.42 0.45 0.64 0.28 -0.23 0.00 0.00 178.00 179.56 1nvo h VAL 28 N 0.71 0.61 -0.14 1.56 2.07 -2.00 -0.46 116.25 118.60 1nvo h VAL 28 Ca 0.24 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1nvo h VAL 28 Cb 0.09 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1nvo h VAL 28 CO -0.07 0.08 0.09 -0.07 0.02 0.00 0.00 177.57 177.63 1nvo h LEU 29 N 0.45 0.12 -0.30 2.57 3.38 -1.56 0.11 115.31 120.07 1nvo h LEU 29 Ca 0.54 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.31 1nvo h LEU 29 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1nvo h LEU 29 CO -0.25 0.08 -0.77 0.00 0.09 0.00 0.00 178.44 177.59 1nvo h ALA 30 N 1.92 0.48 -0.10 1.53 0.00 -1.21 0.21 119.26 122.09 1nvo h ALA 30 Ca 0.06 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 1nvo h ALA 30 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nvo h ALA 30 CO -0.01 0.74 -0.69 0.87 0.00 0.00 0.00 179.25 180.16 1nvo h LYS 31 N 0.36 0.65 -0.06 0.00 1.57 -0.98 -0.06 116.57 118.06 1nvo h LYS 31 Ca -0.04 -0.56 0.02 0.00 -1.87 0.00 0.00 60.65 58.19 1nvo h LYS 31 Cb 1.37 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 1nvo h LYS 31 CO 0.14 1.18 -0.46 0.82 -0.57 0.00 0.00 179.45 180.56 1nvo h ILE 32 N 0.31 0.00 -0.02 1.86 2.04 -0.92 0.42 117.51 121.20 1nvo h ILE 32 Ca -0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1nvo h ILE 32 Cb 1.34 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1nvo h ILE 32 CO 0.14 0.00 -0.33 0.17 0.00 0.00 0.00 178.15 178.13 1nvo h LEU 33 N -0.54 0.03 -0.02 1.44 8.10 -0.77 0.14 115.31 123.69 1nvo h LEU 33 Ca 0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.00 1nvo h LEU 33 Cb 0.60 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1nvo h LEU 33 CO -0.34 0.36 0.01 -0.08 -4.11 0.00 0.00 178.44 174.28 1nvo h GLU 34 N 0.03 0.03 -0.18 0.17 4.81 -0.77 0.11 114.58 118.78 1nvo h GLU 34 Ca 0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1nvo h GLU 34 Cb 0.60 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1nvo h GLU 34 CO 0.04 0.14 0.02 0.22 -0.73 0.00 0.00 179.01 178.70 1nvo h ASP 35 N -0.09 -0.03 -0.19 1.04 3.58 0.51 0.54 116.42 121.79 1nvo h ASP 35 Ca 0.01 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.54 1nvo h ASP 35 Cb 0.12 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1nvo h ASP 35 CO -0.00 0.01 -0.11 -0.33 -2.88 0.00 0.00 179.24 175.93 1nvo h GLU 36 N 0.08 -0.09 -0.72 0.28 4.39 -0.74 -0.35 114.58 117.42 1nvo h GLU 36 Ca 0.08 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.94 1nvo h GLU 36 Cb 0.09 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.63 1nvo h GLU 36 CO -0.13 -0.06 -0.15 1.49 -1.16 0.00 0.00 179.01 179.00 1nvo h GLU 37 N -0.10 0.01 -0.25 2.33 4.22 0.08 0.29 114.58 121.17 1nvo h GLU 37 Ca 0.11 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.55 1nvo h GLU 37 Cb 0.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1nvo h GLU 37 CO -0.25 0.01 0.14 -0.22 -2.18 0.00 0.00 179.01 176.51 1nvo h LYS 38 N 0.01 0.29 -0.98 1.92 1.63 -0.06 0.47 116.57 119.85 1nvo h LYS 38 Ca 0.35 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.21 1nvo h LYS 38 Cb 0.55 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.05 1nvo h LYS 38 CO -0.73 0.19 0.63 0.45 -3.45 0.00 0.00 179.45 176.54 1nvo h HIS 39 N 0.30 1.16 0.01 1.91 3.86 0.63 -2.57 115.15 120.44 1nvo h HIS 39 Ca 0.10 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.12 1nvo h HIS 39 Cb -0.00 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.09 1nvo h HIS 39 CO -0.08 0.58 -0.94 0.82 0.86 0.00 0.00 177.93 179.17 1nvo h ILE 40 N 1.12 1.42 -0.82 2.45 2.04 0.14 -3.08 117.51 120.77 1nvo h ILE 40 Ca 0.43 -2.51 0.11 0.00 1.00 0.00 0.00 64.86 63.89 1nvo h ILE 40 Cb 0.21 2.45 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 1nvo h ILE 40 CO -0.19 0.74 0.45 -0.08 0.00 0.00 0.00 178.15 179.08 1nvo h GLU 41 N 0.20 0.71 -0.97 2.37 4.81 0.25 0.17 114.58 122.12 1nvo h GLU 41 Ca -0.07 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.38 1nvo h GLU 41 Cb 1.58 -0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.66 1nvo h GLU 41 CO 0.16 0.47 0.50 2.35 -0.73 0.00 0.00 179.01 181.76 1nvo h TRP 42 N 0.73 0.83 0.18 0.92 7.01 -1.37 0.27 115.95 124.51 1nvo h TRP 42 Ca 0.41 0.04 -0.29 0.00 2.11 0.00 0.00 58.89 61.16 1nvo h TRP 42 Cb 0.43 -0.21 0.03 0.00 -2.10 0.00 0.00 29.16 27.32 1nvo h TRP 42 CO -0.07 -0.09 -1.24 -0.07 -2.79 0.00 0.00 178.44 174.17 1nvo h LEU 43 N 0.39 0.78 -3.03 0.65 4.07 -0.87 0.07 115.31 117.38 1nvo h LEU 43 Ca 0.65 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1nvo h LEU 43 Cb 1.36 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1nvo h LEU 43 CO -0.56 1.60 0.00 -0.62 -1.08 0.00 0.00 178.44 177.78 1nvo n GLU 44 N -3.84 0.85 0.00 1.13 1.02 0.00 -3.21 120.64 116.59 1nvo n GLU 44 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1nvo n GLU 44 Cb 0.99 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 1nvo n GLU 44 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nvo n THR 45 N 1.47 0.00 -1.54 2.62 5.66 -0.71 -4.92 114.28 116.86 1nvo n THR 45 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1nvo n THR 45 Cb 0.42 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.14 1nvo n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nvo n ILE 46 N -0.34 -0.06 -1.06 1.09 0.13 0.01 -4.47 119.36 114.65 1nvo n ILE 46 Ca 0.00 -0.61 0.13 0.00 -1.10 0.00 0.00 62.75 61.18 1nvo n ILE 46 Cb 0.00 -2.16 -0.06 0.00 -0.84 0.00 0.00 39.64 36.57 1nvo n ILE 46 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1nvo n LEU 47 N 14.98 -0.72 0.00 9.51 7.99 -1.26 -5.00 117.00 142.50 1nvo n LEU 47 Ca 0.45 1.66 0.00 0.00 -0.01 0.00 0.00 56.01 58.11 1nvo n LEU 47 Cb 0.42 -2.75 0.00 0.00 -0.11 0.00 0.00 43.42 40.98 1nvo n LEU 47 CO 0.74 -1.85 0.00 0.61 -1.51 0.00 0.00 177.39 175.39