#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvo h TYR 2 N 0.00 0.00 -0.00 -0.67 0.05 -2.06 -2.46 116.97 111.83 1nvo h TYR 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvo h TYR 2 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1nvo h TYR 2 CO 0.00 0.00 -0.10 1.28 -1.05 0.00 0.00 178.16 178.29 1nvo n LEU 3 N -3.75 0.29 -0.37 3.88 4.77 -1.26 -4.41 117.00 116.16 1nvo n LEU 3 Ca 0.16 -0.58 0.03 0.00 -0.03 0.00 0.00 56.01 55.59 1nvo n LEU 3 Cb 1.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.26 1nvo n LEU 3 CO 0.30 0.07 1.26 0.08 -1.33 0.00 0.00 177.39 177.77 1nvo h ARG 4 N 0.08 1.12 0.00 3.23 0.11 -1.84 0.27 114.38 117.35 1nvo h ARG 4 Ca 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 1nvo h ARG 4 Cb 0.07 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 30.89 1nvo h ARG 4 CO 0.00 0.74 -0.89 0.93 0.10 0.00 0.00 179.97 180.85 1nvo h GLU 5 N 1.15 0.00 0.00 0.08 5.08 -1.81 -0.52 114.58 118.57 1nvo h GLU 5 Ca 0.43 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1nvo h GLU 5 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1nvo h GLU 5 CO -0.18 0.09 -1.62 1.28 -1.00 0.00 0.00 179.01 177.58 1nvo n LEU 6 N -2.82 0.45 0.00 1.33 4.32 -1.00 -4.52 117.00 114.76 1nvo n LEU 6 Ca -0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1nvo n LEU 6 Cb 0.61 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1nvo n LEU 6 CO 0.40 0.04 -0.22 0.00 -1.22 0.00 0.00 177.39 176.39 1nvo n LEU 7 N -2.59 0.85 -0.07 2.23 -0.00 0.05 -4.61 117.00 112.87 1nvo n LEU 7 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.88 1nvo n LEU 7 Cb 0.70 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.25 1nvo n LEU 7 CO 0.43 0.04 0.76 0.50 -0.00 0.00 0.00 177.39 179.12 1nvo h LYS 8 N 0.00 0.71 -0.32 1.47 3.64 -1.02 -0.67 116.57 120.38 1nvo h LYS 8 Ca 0.00 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1nvo h LYS 8 Cb 0.43 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1nvo h LYS 8 CO 0.00 0.84 0.07 -0.07 -2.27 0.00 0.00 179.45 178.02 1nvo h LEU 9 N 0.64 0.50 -0.89 5.20 3.38 -1.36 -3.12 115.31 119.65 1nvo h LEU 9 Ca 0.10 -0.24 0.18 0.00 0.09 0.00 0.00 57.88 58.01 1nvo h LEU 9 Cb 0.64 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1nvo h LEU 9 CO 0.05 0.61 0.46 -0.33 0.09 0.00 0.00 178.44 179.31 1nvo h GLU 10 N 0.36 0.56 -0.30 1.13 4.39 -1.44 0.11 114.58 119.38 1nvo h GLU 10 Ca 0.10 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1nvo h GLU 10 Cb 0.32 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 1nvo h GLU 10 CO 0.00 0.37 -0.17 1.25 -1.16 0.00 0.00 179.01 179.30 1nvo h LEU 11 N 0.58 -0.58 -1.80 1.33 5.85 -1.12 0.85 115.31 120.42 1nvo h LEU 11 Ca 0.52 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.35 1nvo h LEU 11 Cb 0.84 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1nvo h LEU 11 CO -0.42 -0.21 -0.10 1.56 -0.34 0.00 0.00 178.44 178.93 1nvo h GLN 12 N -0.14 0.00 -0.08 1.25 7.50 -1.06 -1.15 115.11 121.43 1nvo h GLN 12 Ca 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.25 1nvo h GLN 12 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1nvo h GLN 12 CO -0.39 0.10 -0.20 -0.07 -1.50 0.00 0.00 178.83 176.78 1nvo h LEU 13 N 0.00 0.31 -0.12 1.46 3.38 -0.15 0.43 115.31 120.62 1nvo h LEU 13 Ca -0.00 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.42 1nvo h LEU 13 Cb 0.18 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1nvo h LEU 13 CO 0.01 0.84 -0.19 0.40 0.09 0.00 0.00 178.44 179.59 1nvo h ILE 14 N -0.21 0.52 -0.29 1.22 1.08 -0.80 0.62 117.51 119.64 1nvo h ILE 14 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 1nvo h ILE 14 Cb 0.80 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 1nvo h ILE 14 CO 0.04 0.00 -0.17 0.50 -0.69 0.00 0.00 178.15 177.84 1nvo h LYS 15 N -0.25 -0.13 -0.14 2.37 1.63 -1.18 -2.03 116.57 116.84 1nvo h LYS 15 Ca 0.10 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1nvo h LYS 15 Cb 0.38 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1nvo h LYS 15 CO -0.26 -0.09 -0.20 1.96 -3.45 0.00 0.00 179.45 177.41 1nvo h GLN 16 N -0.13 0.24 -0.24 1.90 7.50 0.58 -1.93 115.11 123.03 1nvo h GLN 16 Ca 0.15 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.24 1nvo h GLN 16 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 1nvo h GLN 16 CO -0.37 0.44 0.15 1.88 -1.50 0.00 0.00 178.83 179.43 1nvo h TYR 17 N 0.22 0.30 -0.00 2.96 0.05 0.94 0.15 116.97 121.59 1nvo h TYR 17 Ca 0.04 0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.65 1nvo h TYR 17 Cb 0.49 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1nvo h TYR 17 CO 0.01 0.19 -0.80 0.00 -1.05 0.00 0.00 178.16 176.51 1nvo h ARG 18 N 0.32 0.08 0.25 4.88 3.08 -0.92 0.77 114.38 122.84 1nvo h ARG 18 Ca 0.09 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1nvo h ARG 18 Cb -0.03 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1nvo h ARG 18 CO -0.02 0.84 -0.12 1.49 -1.07 0.00 0.00 179.97 181.09 1nvo h GLU 19 N 0.05 -0.32 -0.17 0.04 4.81 -1.03 -3.29 114.58 114.68 1nvo h GLU 19 Ca -0.02 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1nvo h GLU 19 Cb 1.40 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1nvo h GLU 19 CO 0.11 0.02 -0.10 0.00 -0.73 0.00 0.00 179.01 178.31 1nvo h ALA 20 N -0.11 1.52 -0.94 2.92 0.00 -0.65 -2.06 119.26 119.93 1nvo h ALA 20 Ca -0.03 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.94 1nvo h ALA 20 Cb 0.49 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.02 1nvo h ALA 20 CO 0.06 0.34 0.06 1.25 0.00 0.00 0.00 179.25 180.96 1nvo h LEU 21 N 0.25 -0.40 0.01 0.00 5.85 -0.91 0.13 115.31 120.25 1nvo h LEU 21 Ca 0.05 0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1nvo h LEU 21 Cb 0.34 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1nvo h LEU 21 CO 0.02 -0.31 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.29 1nvo h GLU 22 N 0.04 0.11 -0.58 1.25 5.08 -1.49 0.23 114.58 119.23 1nvo h GLU 22 Ca 0.57 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.84 1nvo h GLU 22 Cb 1.16 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1nvo h GLU 22 CO -0.85 0.94 0.31 1.88 -1.00 0.00 0.00 179.01 180.29 1nvo h TYR 23 N -0.66 0.58 0.00 4.33 0.05 -1.42 -2.40 116.97 117.45 1nvo h TYR 23 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1nvo h TYR 23 Cb 1.02 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1nvo h TYR 23 CO 0.21 0.29 -0.49 0.28 -1.05 0.00 0.00 178.16 177.40 1nvo n VAL 24 N -4.83 0.27 -4.02 -2.88 0.31 0.39 -4.98 118.33 102.60 1nvo n VAL 24 Ca 0.06 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1nvo n VAL 24 Cb 0.14 -0.11 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 1nvo n VAL 24 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1nvo n LYS 25 N -1.94 -1.63 -3.70 5.55 2.85 0.81 -4.98 118.16 115.13 1nvo n LYS 25 Ca 0.04 0.26 -0.16 0.00 -1.05 0.00 0.00 58.31 57.40 1nvo n LYS 25 Cb 0.41 -3.76 -0.16 0.00 -0.65 0.00 0.00 35.03 30.86 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1nvo s LEU 26 N -7.09 0.33 0.55 -5.58 0.20 -1.22 -5.03 118.68 100.85 1nvo s LEU 26 Ca 0.21 0.23 0.23 0.00 0.69 0.00 0.00 54.13 55.49 1nvo s LEU 26 Cb -0.10 0.16 1.54 0.00 -0.43 0.00 0.00 46.19 47.37 1nvo s LEU 26 CO 0.93 -0.21 2.19 1.55 -0.29 0.00 0.00 176.35 180.52 1nvo h PRO 27 N 7.94 0.00 -1.00 0.98 0.13 -1.93 -1.60 132.00 136.52 1nvo h PRO 27 Ca -0.25 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1nvo h PRO 27 Cb 1.12 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 1nvo h PRO 27 CO 0.26 0.02 0.62 0.28 -0.23 0.00 0.00 178.00 178.95 1nvo h VAL 28 N 0.00 0.75 -0.13 1.56 2.07 -1.98 0.89 116.25 119.41 1nvo h VAL 28 Ca -0.00 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1nvo h VAL 28 Cb 0.04 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1nvo h VAL 28 CO 0.00 0.15 0.08 -0.07 0.02 0.00 0.00 177.57 177.75 1nvo h LEU 29 N 0.80 0.16 -1.40 2.57 4.07 -1.68 0.26 115.31 120.08 1nvo h LEU 29 Ca 0.56 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.56 1nvo h LEU 29 Cb 0.82 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.48 1nvo h LEU 29 CO -0.34 0.14 0.48 0.00 -1.08 0.00 0.00 178.44 177.64 1nvo h ALA 30 N 1.02 1.75 -0.15 1.53 0.00 -1.17 0.17 119.26 122.41 1nvo h ALA 30 Ca 0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1nvo h ALA 30 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nvo h ALA 30 CO -0.01 0.13 -0.60 0.87 0.00 0.00 0.00 179.25 179.64 1nvo h LYS 31 N 0.71 0.49 0.02 0.00 6.56 0.19 -1.61 116.57 122.93 1nvo h LYS 31 Ca 0.32 -0.33 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1nvo h LYS 31 Cb 0.33 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1nvo h LYS 31 CO -0.11 0.94 -0.01 0.82 -2.06 0.00 0.00 179.45 179.03 1nvo h ILE 32 N 0.37 1.25 -0.76 1.86 2.04 0.70 -1.54 117.51 121.42 1nvo h ILE 32 Ca -0.00 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1nvo h ILE 32 Cb 1.15 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 1nvo h ILE 32 CO 0.11 0.21 0.49 0.17 0.00 0.00 0.00 178.15 179.13 1nvo h LEU 33 N -0.39 0.80 0.37 1.44 8.10 -0.73 -0.89 115.31 124.01 1nvo h LEU 33 Ca -0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1nvo h LEU 33 Cb 0.37 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 1nvo h LEU 33 CO 0.01 0.56 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.58 1nvo h GLU 34 N 0.95 -0.56 -0.53 0.17 4.81 -1.19 0.16 114.58 118.40 1nvo h GLU 34 Ca 0.30 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1nvo h GLU 34 Cb 0.00 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1nvo h GLU 34 CO -0.11 -0.38 0.28 0.22 -0.73 0.00 0.00 179.01 178.29 1nvo h ASP 35 N -0.58 0.40 -0.61 1.04 1.82 -0.72 -0.55 116.42 117.22 1nvo h ASP 35 Ca -0.04 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1nvo h ASP 35 Cb 0.49 -0.05 -0.06 0.00 0.68 0.00 0.00 39.33 40.39 1nvo h ASP 35 CO 0.03 0.28 0.31 -0.33 -1.61 0.00 0.00 179.24 177.92 1nvo h GLU 36 N 0.53 0.55 -0.84 0.28 4.39 -1.00 -2.77 114.58 115.73 1nvo h GLU 36 Ca 0.23 -0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.10 1nvo h GLU 36 Cb 0.12 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.52 1nvo h GLU 36 CO -0.15 0.37 0.23 1.49 -1.16 0.00 0.00 179.01 179.79 1nvo h GLU 37 N 0.57 0.25 -0.37 2.33 4.22 0.71 0.81 114.58 123.09 1nvo h GLU 37 Ca 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.68 1nvo h GLU 37 Cb 0.22 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1nvo h GLU 37 CO -0.20 0.16 0.12 -0.22 -2.18 0.00 0.00 179.01 176.69 1nvo h LYS 38 N 0.25 0.58 -0.22 1.92 1.63 -1.30 0.21 116.57 119.63 1nvo h LYS 38 Ca 0.51 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1nvo h LYS 38 Cb 0.97 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 1nvo h LYS 38 CO -0.60 0.59 0.14 0.45 -3.45 0.00 0.00 179.45 176.58 1nvo h HIS 39 N 0.45 0.28 -0.39 1.91 3.86 -0.94 -1.78 115.15 118.54 1nvo h HIS 39 Ca 0.12 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1nvo h HIS 39 Cb 0.25 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1nvo h HIS 39 CO 0.01 0.20 0.20 0.82 0.86 0.00 0.00 177.93 180.02 1nvo h ILE 40 N 0.29 0.99 -0.89 2.45 2.04 -0.76 -0.80 117.51 120.83 1nvo h ILE 40 Ca 0.08 -0.14 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1nvo h ILE 40 Cb -0.01 0.54 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 1nvo h ILE 40 CO -0.02 0.08 0.45 -0.08 0.00 0.00 0.00 178.15 178.58 1nvo h GLU 41 N 0.41 0.54 -0.94 2.37 4.81 -0.32 0.98 114.58 122.43 1nvo h GLU 41 Ca 0.17 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.51 1nvo h GLU 41 Cb 0.06 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.23 1nvo h GLU 41 CO -0.11 0.36 0.56 2.35 -0.73 0.00 0.00 179.01 181.44 1nvo h TRP 42 N 0.56 1.00 -0.10 0.92 7.01 -0.25 -0.37 115.95 124.71 1nvo h TRP 42 Ca 0.52 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.50 1nvo h TRP 42 Cb 0.85 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1nvo h TRP 42 CO -0.09 0.31 -0.14 -0.07 -2.79 0.00 0.00 178.44 175.66 1nvo h LEU 43 N 0.82 0.31 -1.76 0.65 4.07 -0.84 0.11 115.31 118.67 1nvo h LEU 43 Ca 0.50 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1nvo h LEU 43 Cb 0.62 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1nvo h LEU 43 CO -0.32 0.77 0.00 -0.62 -1.08 0.00 0.00 178.44 177.19 1nvo n GLU 44 N -4.59 0.80 0.02 1.13 1.02 -0.08 -3.43 120.64 115.50 1nvo n GLU 44 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1nvo n GLU 44 Cb 0.37 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.48 0.00 -3.76 2.62 5.66 -0.50 -4.94 114.28 113.84 1nvo n THR 45 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1nvo n THR 45 Cb 0.35 -0.29 0.02 0.00 -1.55 0.00 0.00 70.33 68.86 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 -2.60 -4.73 0.00 1.09 0.13 0.39 -1.30 119.36 112.34 1nvo n ILE 46 Ca 0.00 -0.53 0.00 0.00 -1.10 0.00 0.00 62.75 61.12 1nvo n ILE 46 Cb 0.00 -3.64 0.00 0.00 -0.84 0.00 0.00 39.64 35.16 1nvo n ILE 46 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 1nvo n LEU 47 N -3.76 0.00 0.00 9.51 7.94 -1.26 -5.10 117.00 124.33 1nvo n LEU 47 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1nvo n LEU 47 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1nvo n LEU 47 CO 0.67 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.56