#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 0.31 -0.16 -0.67 0.05 -2.04 -0.19 116.97 114.27 1nvo h TYR 2 Ca 0.00 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1nvo h TYR 2 Cb 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1nvo h TYR 2 CO 0.00 -0.37 0.09 -0.07 -1.05 0.00 0.00 178.16 176.76 1nvo h LEU 3 N 0.07 0.20 -1.69 3.88 3.38 -1.97 0.12 115.31 119.31 1nvo h LEU 3 Ca 0.65 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1nvo h LEU 3 Cb 1.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1nvo h LEU 3 CO -0.80 0.22 0.00 0.03 0.09 0.00 0.00 178.44 177.98 1nvo h ARG 4 N 0.17 0.00 0.00 1.13 2.47 -1.46 -2.48 114.38 114.20 1nvo h ARG 4 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1nvo h ARG 4 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1nvo h ARG 4 CO -0.01 0.00 -0.26 1.49 0.56 0.00 0.00 179.97 181.75 1nvo h GLU 5 N 0.00 0.00 -0.11 0.04 4.81 -0.42 -3.09 114.58 115.80 1nvo h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nvo h GLU 5 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1nvo h GLU 5 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1nvo n LEU 6 N -3.66 0.11 -0.01 1.64 4.32 0.20 -2.43 117.00 117.17 1nvo n LEU 6 Ca -0.04 -0.06 -0.02 0.00 -0.02 0.00 0.00 56.01 55.87 1nvo n LEU 6 Cb 0.13 -0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 41.87 1nvo n LEU 6 CO 0.05 0.03 -0.58 -0.11 -1.22 0.00 0.00 177.39 175.56 1nvo n LEU 7 N -0.40 0.46 -0.05 2.23 7.94 -0.94 -4.67 117.00 121.56 1nvo n LEU 7 Ca 0.00 0.03 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 1nvo n LEU 7 Cb 0.03 -0.07 -0.07 0.00 0.53 0.00 0.00 43.42 43.83 1nvo n LEU 7 CO 0.00 0.10 0.58 0.50 -1.11 0.00 0.00 177.39 177.46 1nvo h LYS 8 N -0.08 0.35 -0.17 1.96 3.64 -1.43 0.43 116.57 121.27 1nvo h LYS 8 Ca -0.06 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1nvo h LYS 8 Cb 1.06 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 1nvo h LYS 8 CO -0.03 0.76 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.70 1nvo h LEU 9 N -0.05 -0.43 -0.33 5.20 3.38 -1.69 -0.45 115.31 120.94 1nvo h LEU 9 Ca 0.02 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1nvo h LEU 9 Cb 0.71 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1nvo h LEU 9 CO 0.04 -0.18 -0.08 -0.33 0.09 0.00 0.00 178.44 177.99 1nvo h GLU 10 N -0.14 0.00 -0.18 1.13 3.07 -1.72 -0.64 114.58 116.10 1nvo h GLU 10 Ca 0.11 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1nvo h GLU 10 Cb 0.30 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1nvo h GLU 10 CO -0.26 0.00 -0.04 1.25 -1.40 0.00 0.00 179.01 178.56 1nvo h LEU 11 N 0.00 -0.16 -1.09 1.33 5.85 -0.18 0.25 115.31 121.31 1nvo h LEU 11 Ca 0.16 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1nvo h LEU 11 Cb 0.24 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1nvo h LEU 11 CO -0.34 -0.05 0.61 1.56 -0.34 0.00 0.00 178.44 179.88 1nvo h GLN 12 N 0.01 0.97 -0.35 1.25 7.50 -0.38 -2.29 115.11 121.81 1nvo h GLN 12 Ca 0.09 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 59.08 1nvo h GLN 12 Cb 0.13 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.43 1nvo h GLN 12 CO -0.18 0.64 -0.16 -0.07 -1.50 0.00 0.00 178.83 177.55 1nvo h LEU 13 N 1.00 0.75 -0.29 1.46 3.38 0.49 0.36 115.31 122.46 1nvo h LEU 13 Ca 0.44 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1nvo h LEU 13 Cb 0.37 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1nvo h LEU 13 CO -0.20 0.99 -0.11 0.40 0.09 0.00 0.00 178.44 179.60 1nvo h ILE 14 N 0.51 0.62 -0.40 1.22 1.08 -0.73 0.58 117.51 120.38 1nvo h ILE 14 Ca 0.08 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 1nvo h ILE 14 Cb 0.70 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 34.98 1nvo h ILE 14 CO 0.05 0.00 -0.24 0.50 -0.69 0.00 0.00 178.15 177.77 1nvo h LYS 15 N -0.06 -0.16 -0.76 2.37 1.63 -1.11 0.69 116.57 119.16 1nvo h LYS 15 Ca 0.15 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1nvo h LYS 15 Cb 0.29 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 1nvo h LYS 15 CO -0.33 -0.11 0.39 1.96 -3.45 0.00 0.00 179.45 177.91 1nvo h GLN 16 N -0.16 1.07 -0.60 1.90 7.50 0.11 0.29 115.11 125.22 1nvo h GLN 16 Ca 0.19 -0.13 -0.06 0.00 0.50 0.00 0.00 58.65 59.15 1nvo h GLN 16 Cb 0.47 -0.21 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 1nvo h GLN 16 CO -0.50 0.80 0.14 1.88 -1.50 0.00 0.00 178.83 179.64 1nvo h TYR 17 N 1.07 0.98 -0.21 2.96 0.05 0.93 0.14 116.97 122.90 1nvo h TYR 17 Ca 0.27 -0.11 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 1nvo h TYR 17 Cb 0.06 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 1nvo h TYR 17 CO 0.01 0.82 -0.33 0.00 -1.05 0.00 0.00 178.16 177.61 1nvo h ARG 18 N 0.90 0.59 -0.29 4.88 3.08 -0.19 0.17 114.38 123.53 1nvo h ARG 18 Ca 0.19 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1nvo h ARG 18 Cb 0.34 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1nvo h ARG 18 CO 0.00 0.97 -0.12 1.49 -1.07 0.00 0.00 179.97 181.23 1nvo h GLU 19 N 0.27 -0.08 0.02 0.04 4.81 -0.58 -3.09 114.58 115.97 1nvo h GLU 19 Ca 0.02 0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 1nvo h GLU 19 Cb 0.92 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.33 1nvo h GLU 19 CO 0.08 -0.05 -1.01 0.00 -0.73 0.00 0.00 179.01 177.29 1nvo h ALA 20 N 1.16 0.25 -0.95 2.92 0.00 -0.54 -3.33 119.26 118.77 1nvo h ALA 20 Ca 0.15 -0.72 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1nvo h ALA 20 Cb 0.30 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 1nvo h ALA 20 CO -0.34 0.77 -0.35 -0.11 0.00 0.00 0.00 179.25 179.23 1nvo n LEU 21 N -3.77 -0.57 -0.00 0.00 7.94 0.59 -0.45 117.00 120.73 1nvo n LEU 21 Ca -0.09 1.65 -0.15 0.00 -1.11 0.00 0.00 56.01 56.32 1nvo n LEU 21 Cb 0.87 -0.40 -0.04 0.00 0.53 0.00 0.00 43.42 44.38 1nvo n LEU 21 CO 0.53 -1.50 0.30 -0.33 -1.11 0.00 0.00 177.39 175.28 1nvo h GLU 22 N 0.00 0.68 -0.75 1.96 4.39 -1.67 0.27 114.58 119.46 1nvo h GLU 22 Ca 0.35 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1nvo h GLU 22 Cb 0.59 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1nvo h GLU 22 CO -0.95 1.17 0.39 1.88 -1.16 0.00 0.00 179.01 180.34 1nvo h TYR 23 N 0.46 1.04 0.00 4.33 0.05 -1.32 -3.15 116.97 118.38 1nvo h TYR 23 Ca -0.05 -0.03 -0.22 0.00 0.05 0.00 0.00 58.73 58.49 1nvo h TYR 23 Cb 1.37 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 1nvo h TYR 23 CO 0.07 0.73 -1.19 0.28 -1.05 0.00 0.00 178.16 177.01 1nvo h VAL 24 N 1.05 1.25 -5.77 -2.88 2.07 -0.44 -3.49 116.25 108.04 1nvo h VAL 24 Ca 0.26 -2.94 -0.37 0.00 0.82 0.00 0.00 66.70 64.48 1nvo h VAL 24 Cb 0.06 2.60 0.15 0.00 -1.52 0.00 0.00 31.29 32.57 1nvo h VAL 24 CO -0.04 0.71 -0.74 0.29 0.02 0.00 0.00 177.57 177.81 1nvo n LYS 25 N -3.20 -7.02 -4.02 1.57 5.02 0.91 -5.02 118.16 106.39 1nvo n LYS 25 Ca -0.06 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 1nvo n LYS 25 Cb 0.94 -5.83 -0.16 0.00 -0.02 0.00 0.00 35.03 29.96 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 -6.77 2.34 0.33 -0.35 2.96 -1.25 -5.02 118.68 110.92 1nvo s LEU 26 Ca 0.24 -0.88 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1nvo s LEU 26 Cb -0.11 -1.29 0.57 0.00 0.50 0.00 0.00 46.19 45.86 1nvo s LEU 26 CO 0.74 -0.12 1.83 1.55 -1.32 0.00 0.00 176.35 179.02 1nvo h PRO 27 N 7.95 0.45 -1.00 0.98 0.13 -1.95 -1.64 132.00 136.92 1nvo h PRO 27 Ca -0.30 -0.12 0.30 0.00 -0.87 0.00 0.00 66.00 65.01 1nvo h PRO 27 Cb 1.10 -0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1nvo h PRO 27 CO 0.50 0.56 0.57 0.28 -0.23 0.00 0.00 178.00 179.68 1nvo h VAL 28 N 0.42 0.36 -0.16 1.56 2.07 -1.98 0.02 116.25 118.54 1nvo h VAL 28 Ca 0.08 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1nvo h VAL 28 Cb 0.46 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1nvo h VAL 28 CO 0.03 0.07 0.09 0.25 0.02 0.00 0.00 177.57 178.03 1nvo h LEU 29 N 0.39 0.15 -0.86 2.57 6.46 -1.71 0.29 115.31 122.59 1nvo h LEU 29 Ca 0.71 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.39 1nvo h LEU 29 Cb 1.53 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.41 1nvo h LEU 29 CO -0.57 0.11 0.01 0.00 -0.62 0.00 0.00 178.44 177.37 1nvo h ALA 30 N 1.07 1.05 -0.42 1.25 0.00 -1.25 -0.38 119.26 120.58 1nvo h ALA 30 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1nvo h ALA 30 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nvo h ALA 30 CO -0.03 0.59 -0.13 0.87 0.00 0.00 0.00 179.25 180.55 1nvo h LYS 31 N 0.80 0.82 0.33 0.00 1.79 -0.07 0.11 116.57 120.35 1nvo h LYS 31 Ca 0.15 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1nvo h LYS 31 Cb 0.46 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1nvo h LYS 31 CO 0.02 0.96 -0.41 0.82 -1.08 0.00 0.00 179.45 179.75 1nvo h ILE 32 N 0.64 0.17 -0.11 1.86 2.04 -0.40 -2.75 117.51 118.97 1nvo h ILE 32 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1nvo h ILE 32 Cb 0.67 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1nvo h ILE 32 CO 0.05 0.00 -0.16 0.17 0.00 0.00 0.00 178.15 178.21 1nvo h LEU 33 N -0.78 0.16 -0.04 1.44 8.10 -0.77 -1.48 115.31 121.93 1nvo h LEU 33 Ca -0.02 -0.03 0.02 0.00 0.11 0.00 0.00 57.88 57.95 1nvo h LEU 33 Cb 0.72 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 1nvo h LEU 33 CO -0.11 0.33 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.41 1nvo h GLU 34 N 0.16 -0.07 -0.48 0.17 4.81 -0.63 0.14 114.58 118.67 1nvo h GLU 34 Ca 0.03 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1nvo h GLU 34 Cb 0.38 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1nvo h GLU 34 CO 0.02 -0.05 0.29 0.22 -0.73 0.00 0.00 179.01 178.77 1nvo h ASP 35 N -0.08 0.48 -0.48 1.04 3.58 -1.01 -1.13 116.42 118.82 1nvo h ASP 35 Ca 0.04 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.58 1nvo h ASP 35 Cb 0.13 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.00 1nvo h ASP 35 CO -0.09 0.34 0.03 -0.33 -2.88 0.00 0.00 179.24 176.32 1nvo h GLU 36 N 0.59 0.15 -0.58 0.28 4.39 -0.97 -2.37 114.58 116.06 1nvo h GLU 36 Ca 0.19 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.00 1nvo h GLU 36 Cb 0.00 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 1nvo h GLU 36 CO -0.08 0.10 0.07 1.49 -1.16 0.00 0.00 179.01 179.43 1nvo h GLU 37 N 0.15 0.18 -0.02 2.33 4.22 0.53 0.17 114.58 122.14 1nvo h GLU 37 Ca 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1nvo h GLU 37 Cb 0.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nvo h GLU 37 CO -0.37 0.12 0.01 -0.22 -2.18 0.00 0.00 179.01 176.37 1nvo h LYS 38 N 0.19 0.03 -0.64 1.92 1.63 -1.09 0.34 116.57 118.95 1nvo h LYS 38 Ca 0.30 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.19 1nvo h LYS 38 Cb 0.47 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.02 1nvo h LYS 38 CO -0.44 0.02 0.27 0.45 -3.45 0.00 0.00 179.45 176.31 1nvo h HIS 39 N 0.03 0.48 -0.33 1.91 3.86 -0.66 -1.64 115.15 118.80 1nvo h HIS 39 Ca 0.01 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.12 1nvo h HIS 39 Cb -0.00 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1nvo h HIS 39 CO -0.08 0.15 -0.32 0.82 0.86 0.00 0.00 177.93 179.36 1nvo h ILE 40 N 0.48 1.28 -0.99 2.45 2.04 -0.48 -2.84 117.51 119.45 1nvo h ILE 40 Ca 0.32 -1.46 0.13 0.00 1.00 0.00 0.00 64.86 64.85 1nvo h ILE 40 Cb 0.37 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1nvo h ILE 40 CO -0.29 0.48 0.62 -0.08 0.00 0.00 0.00 178.15 178.88 1nvo h GLU 41 N 0.61 0.91 -0.65 2.37 4.81 0.65 0.11 114.58 123.38 1nvo h GLU 41 Ca 0.07 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1nvo h GLU 41 Cb 0.84 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1nvo h GLU 41 CO 0.07 0.60 0.20 2.35 -0.73 0.00 0.00 179.01 181.50 1nvo h TRP 42 N 0.94 0.33 0.00 0.92 7.01 -1.21 0.95 115.95 124.89 1nvo h TRP 42 Ca 0.50 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.53 1nvo h TRP 42 Cb 0.55 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1nvo h TRP 42 CO -0.00 0.02 0.00 1.28 -2.79 0.00 0.00 178.44 176.95 1nvo n LEU 43 N -5.07 0.00 0.08 0.65 4.32 0.36 -0.81 117.00 116.52 1nvo n LEU 43 Ca 0.10 0.43 0.02 0.00 -0.02 0.00 0.00 56.01 56.55 1nvo n LEU 43 Cb 0.34 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 1nvo n LEU 43 CO 0.18 -0.31 -0.00 1.05 -1.22 0.00 0.00 177.39 177.09 1nvo h GLU 44 N 0.00 0.00 0.00 3.23 4.11 -0.67 -3.40 114.58 117.86 1nvo h GLU 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nvo h GLU 44 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nvo h GLU 44 CO 0.00 0.31 -1.87 0.25 0.07 0.00 0.00 179.01 177.78 1nvo n THR 45 N -2.97 0.00 -1.48 -1.06 -2.24 0.01 -4.94 114.28 101.60 1nvo n THR 45 Ca -0.05 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1nvo n THR 45 Cb 0.77 0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 1nvo n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvo n ILE 46 N -2.16 -0.00 0.06 2.28 0.13 -0.64 -4.18 119.36 114.86 1nvo n ILE 46 Ca -0.03 -0.14 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 1nvo n ILE 46 Cb 0.52 -0.91 0.00 0.00 -0.84 0.00 0.00 39.64 38.41 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 10.96 -1.15 0.00 9.51 -0.00 -1.26 -5.09 117.00 129.97 1nvo n LEU 47 Ca 0.59 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.90 1nvo n LEU 47 Cb 0.11 1.34 0.00 0.00 -0.00 0.00 0.00 43.42 44.87 1nvo n LEU 47 CO 0.89 -0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.76