#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 -0.46 -0.03 -0.67 0.05 -2.00 0.21 116.97 114.06 1nvo h TYR 2 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1nvo h TYR 2 Cb 0.00 0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1nvo h TYR 2 CO 0.00 -0.27 0.00 1.28 -1.05 0.00 0.00 178.16 178.12 1nvo n LEU 3 N -5.39 0.33 -0.00 3.88 4.77 -1.26 -0.56 117.00 118.77 1nvo n LEU 3 Ca 0.03 -0.13 0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1nvo n LEU 3 Cb 0.29 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1nvo n LEU 3 CO 0.09 0.07 -0.22 0.54 -1.33 0.00 0.00 177.39 176.54 1nvo n ARG 4 N -0.61 0.86 -0.05 3.23 1.74 0.51 -4.40 116.66 117.95 1nvo n ARG 4 Ca 0.16 -0.05 -0.05 0.00 -0.77 0.00 0.00 57.85 57.15 1nvo n ARG 4 Cb 0.13 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1nvo n ARG 4 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nvo n GLU 5 N -1.62 0.31 -0.40 5.56 4.71 0.06 -3.83 120.64 125.43 1nvo n GLU 5 Ca 0.02 0.12 -0.05 0.00 -0.01 0.00 0.00 57.16 57.24 1nvo n GLU 5 Cb 0.34 -1.02 0.03 0.00 -1.01 0.00 0.00 31.44 29.78 1nvo n GLU 5 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nvo n LEU 6 N -3.72 4.52 0.09 -4.62 4.32 0.28 -2.06 117.00 115.80 1nvo n LEU 6 Ca -0.08 -2.23 0.00 0.00 -0.02 0.00 0.00 56.01 53.68 1nvo n LEU 6 Cb 0.30 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.33 1nvo n LEU 6 CO 0.12 0.80 0.00 -0.11 -1.22 0.00 0.00 177.39 176.98 1nvo n LEU 7 N 0.54 -0.53 0.11 2.23 0.00 -1.26 -4.73 117.00 113.35 1nvo n LEU 7 Ca 0.11 0.32 -0.13 0.00 0.00 0.00 0.00 56.01 56.31 1nvo n LEU 7 Cb 0.64 0.65 -0.08 0.00 0.00 0.00 0.00 43.42 44.63 1nvo n LEU 7 CO 0.13 -0.55 0.67 0.50 0.00 0.00 0.00 177.39 178.14 1nvo h LYS 8 N 0.00 -0.25 -0.46 1.96 3.64 -1.65 0.16 116.57 119.96 1nvo h LYS 8 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1nvo h LYS 8 Cb 0.00 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1nvo h LYS 8 CO 0.00 0.01 0.23 -0.07 -2.27 0.00 0.00 179.45 177.35 1nvo h LEU 9 N -0.49 0.33 -0.30 5.20 3.38 -1.65 0.63 115.31 122.42 1nvo h LEU 9 Ca -0.03 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1nvo h LEU 9 Cb 0.37 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1nvo h LEU 9 CO 0.04 0.23 -0.14 -0.33 0.09 0.00 0.00 178.44 178.34 1nvo h GLU 10 N 0.45 -0.09 0.22 1.13 5.08 -1.64 -0.65 114.58 119.08 1nvo h GLU 10 Ca 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1nvo h GLU 10 Cb 0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nvo h GLU 10 CO -0.14 -0.06 -0.11 1.25 -1.00 0.00 0.00 179.01 178.95 1nvo h LEU 11 N -0.09 -0.25 -1.44 1.33 5.85 0.09 -1.41 115.31 119.39 1nvo h LEU 11 Ca 0.15 -0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.10 1nvo h LEU 11 Cb 0.32 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1nvo h LEU 11 CO -0.36 -0.16 0.64 1.56 -0.34 0.00 0.00 178.44 179.79 1nvo h GLN 12 N -0.32 0.39 0.20 1.25 7.50 -0.50 -0.68 115.11 122.95 1nvo h GLN 12 Ca -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1nvo h GLN 12 Cb 0.24 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1nvo h GLN 12 CO 0.05 0.26 -0.09 -0.07 -1.50 0.00 0.00 178.83 177.47 1nvo h LEU 13 N 0.40 -0.22 -0.76 1.46 3.38 -0.07 0.38 115.31 119.88 1nvo h LEU 13 Ca 0.54 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 58.37 1nvo h LEU 13 Cb 1.37 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 42.06 1nvo h LEU 13 CO -0.24 0.27 0.17 0.40 0.09 0.00 0.00 178.44 179.13 1nvo h ILE 14 N -0.80 0.47 0.04 1.22 1.08 -0.90 0.40 117.51 119.02 1nvo h ILE 14 Ca -0.03 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1nvo h ILE 14 Cb 0.52 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1nvo h ILE 14 CO 0.04 0.04 -0.18 0.50 -0.69 0.00 0.00 178.15 177.87 1nvo h LYS 15 N 0.24 -0.30 -0.80 2.37 1.63 -0.97 -1.75 116.57 116.98 1nvo h LYS 15 Ca 0.44 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.22 1nvo h LYS 15 Cb 0.77 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.43 1nvo h LYS 15 CO -0.55 -0.20 0.35 0.37 -3.45 0.00 0.00 179.45 175.97 1nvo h GLN 16 N -0.31 1.18 -0.88 1.90 -0.00 0.21 -1.43 115.11 115.78 1nvo h GLN 16 Ca 0.04 -0.20 -0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1nvo h GLN 16 Cb 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 27.48 27.60 1nvo h GLN 16 CO -0.14 0.94 0.55 1.88 0.00 0.00 0.00 178.83 182.05 1nvo h TYR 17 N 1.16 1.15 -0.22 3.99 -1.99 -0.08 0.28 116.97 121.25 1nvo h TYR 17 Ca 0.27 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.95 1nvo h TYR 17 Cb 0.18 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1nvo h TYR 17 CO 0.02 0.75 -0.10 0.00 -0.00 0.00 0.00 178.16 178.83 1nvo h ARG 18 N 1.21 0.45 -0.33 4.88 3.08 -0.61 0.74 114.38 123.80 1nvo h ARG 18 Ca 0.32 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1nvo h ARG 18 Cb -0.08 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 1nvo h ARG 18 CO -0.06 0.73 -0.04 1.49 -1.07 0.00 0.00 179.97 181.02 1nvo h GLU 19 N 0.16 0.05 0.00 0.04 4.81 -0.89 -2.71 114.58 116.05 1nvo h GLU 19 Ca 0.05 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1nvo h GLU 19 Cb 0.59 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1nvo h GLU 19 CO 0.03 0.03 -0.04 0.00 -0.73 0.00 0.00 179.01 178.30 1nvo h ALA 20 N 1.31 0.98 -0.91 2.92 0.00 -0.20 -3.22 119.26 120.15 1nvo h ALA 20 Ca 0.16 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.25 1nvo h ALA 20 Cb 0.23 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 1nvo h ALA 20 CO -0.30 0.05 0.41 1.25 0.00 0.00 0.00 179.25 180.67 1nvo h LEU 21 N 0.00 0.36 -0.05 0.00 6.46 -0.51 0.13 115.31 121.71 1nvo h LEU 21 Ca -0.00 0.15 -0.26 0.00 -0.12 0.00 0.00 57.88 57.66 1nvo h LEU 21 Cb 0.90 0.12 0.02 0.00 -0.73 0.00 0.00 40.66 40.97 1nvo h LEU 21 CO 0.01 0.01 -0.97 -0.33 -0.62 0.00 0.00 178.44 176.53 1nvo h GLU 22 N 0.42 0.74 -0.40 1.25 4.39 -1.68 0.34 114.58 119.63 1nvo h GLU 22 Ca 0.57 -0.73 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1nvo h GLU 22 Cb 1.08 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1nvo h GLU 22 CO -0.52 1.31 0.11 1.88 -1.16 0.00 0.00 179.01 180.62 1nvo h TYR 23 N 0.44 0.59 0.00 4.33 0.05 -1.30 -3.19 116.97 117.90 1nvo h TYR 23 Ca -0.11 -0.04 -0.31 0.00 0.05 0.00 0.00 58.73 58.32 1nvo h TYR 23 Cb 1.62 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 39.12 1nvo h TYR 23 CO 0.10 0.51 -1.88 0.28 -1.05 0.00 0.00 178.16 176.12 1nvo n VAL 24 N -4.33 1.56 -3.41 -2.88 0.31 0.32 -5.03 118.33 104.86 1nvo n VAL 24 Ca 0.02 -0.81 -0.17 0.00 -0.01 0.00 0.00 64.34 63.38 1nvo n VAL 24 Cb 0.19 -0.93 0.03 0.00 -0.91 0.00 0.00 33.84 32.22 1nvo n VAL 24 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nvo n LYS 25 N -2.99 -1.51 -3.72 5.55 5.02 0.12 -5.04 118.16 115.58 1nvo n LYS 25 Ca -0.21 0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 56.77 1nvo n LYS 25 Cb 1.08 -4.74 -0.18 0.00 -0.02 0.00 0.00 35.03 31.17 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 -5.28 0.37 0.28 -0.35 2.96 -1.24 -5.04 118.68 110.39 1nvo s LEU 26 Ca 0.26 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1nvo s LEU 26 Cb -0.07 -0.29 0.40 0.00 0.50 0.00 0.00 46.19 46.73 1nvo s LEU 26 CO 0.81 -0.23 1.69 1.55 -1.32 0.00 0.00 176.35 178.86 1nvo h PRO 27 N 8.38 0.40 -1.13 0.98 0.13 -1.96 -1.92 132.00 136.88 1nvo h PRO 27 Ca -0.16 -0.17 0.33 0.00 -0.87 0.00 0.00 66.00 65.13 1nvo h PRO 27 Cb 1.12 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1nvo h PRO 27 CO 0.21 0.69 0.72 0.28 -0.23 0.00 0.00 178.00 179.67 1nvo h VAL 28 N 0.34 0.35 0.37 1.56 2.07 -1.98 -2.17 116.25 116.80 1nvo h VAL 28 Ca 0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1nvo h VAL 28 Cb 0.76 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1nvo h VAL 28 CO 0.06 0.05 -0.18 0.25 0.02 0.00 0.00 177.57 177.77 1nvo h LEU 29 N 0.28 -0.42 -1.02 2.57 6.46 -1.76 0.52 115.31 121.94 1nvo h LEU 29 Ca 0.69 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.52 1nvo h LEU 29 Cb 1.89 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 41.87 1nvo h LEU 29 CO -0.38 -0.30 0.65 0.00 -0.62 0.00 0.00 178.44 177.79 1nvo h ALA 30 N 0.14 1.38 -0.57 1.25 0.00 -1.56 0.60 119.26 120.51 1nvo h ALA 30 Ca -0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nvo h ALA 30 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nvo h ALA 30 CO 0.08 0.48 -0.02 0.87 0.00 0.00 0.00 179.25 180.67 1nvo h LYS 31 N 1.21 1.00 0.13 0.00 1.79 -0.61 0.38 116.57 120.47 1nvo h LYS 31 Ca 0.42 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1nvo h LYS 31 Cb 0.11 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1nvo h LYS 31 CO -0.16 0.99 -0.06 0.82 -1.08 0.00 0.00 179.45 179.97 1nvo h ILE 32 N 0.91 0.95 -0.19 1.86 2.04 0.45 -1.68 117.51 121.85 1nvo h ILE 32 Ca 0.16 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1nvo h ILE 32 Cb 0.56 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1nvo h ILE 32 CO 0.03 0.07 -0.12 0.17 0.00 0.00 0.00 178.15 178.31 1nvo h LEU 33 N -0.31 0.29 -0.32 1.44 8.10 -0.61 0.21 115.31 124.11 1nvo h LEU 33 Ca -0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 1nvo h LEU 33 Cb 0.25 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.38 1nvo h LEU 33 CO 0.03 0.43 0.11 -0.08 -4.11 0.00 0.00 178.44 174.82 1nvo h GLU 34 N 0.29 0.50 0.17 0.17 4.22 -0.75 0.32 114.58 119.50 1nvo h GLU 34 Ca 0.06 -0.10 0.01 0.00 0.08 0.00 0.00 59.36 59.41 1nvo h GLU 34 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1nvo h GLU 34 CO 0.02 0.52 -0.23 0.22 -2.18 0.00 0.00 179.01 177.36 1nvo h ASP 35 N 0.37 -0.64 -0.56 1.04 1.82 -0.26 -2.66 116.42 115.54 1nvo h ASP 35 Ca 0.11 0.07 0.09 0.00 -0.39 0.00 0.00 57.03 56.90 1nvo h ASP 35 Cb 0.23 0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.40 1nvo h ASP 35 CO -0.01 -0.33 0.16 -0.33 -1.61 0.00 0.00 179.24 177.13 1nvo h GLU 36 N -0.46 0.30 -0.99 0.28 4.39 -0.83 -2.51 114.58 114.76 1nvo h GLU 36 Ca 0.01 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.85 1nvo h GLU 36 Cb 0.46 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 1nvo h GLU 36 CO -0.09 0.20 0.62 1.49 -1.16 0.00 0.00 179.01 180.07 1nvo h GLU 37 N 0.31 0.82 -0.32 2.33 4.81 -0.01 0.10 114.58 122.62 1nvo h GLU 37 Ca 0.28 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1nvo h GLU 37 Cb 0.37 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1nvo h GLU 37 CO -0.33 0.54 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.90 1nvo h LYS 38 N 0.84 0.81 -0.41 1.92 3.64 -1.22 0.58 116.57 122.74 1nvo h LYS 38 Ca 0.53 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1nvo h LYS 38 Cb 0.72 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1nvo h LYS 38 CO -0.31 1.08 0.09 0.45 -2.27 0.00 0.00 179.45 178.50 1nvo h HIS 39 N 0.58 0.70 -0.96 1.91 3.86 -1.26 -2.01 115.15 117.97 1nvo h HIS 39 Ca 0.04 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1nvo h HIS 39 Cb 0.96 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 1nvo h HIS 39 CO 0.07 0.67 0.63 0.82 0.86 0.00 0.00 177.93 180.98 1nvo h ILE 40 N 0.52 1.16 -0.78 2.45 2.04 -0.73 -1.68 117.51 120.49 1nvo h ILE 40 Ca 0.13 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1nvo h ILE 40 Cb 0.33 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1nvo h ILE 40 CO 0.00 0.22 0.52 -0.08 0.00 0.00 0.00 178.15 178.81 1nvo h GLU 41 N 1.20 0.99 -0.68 2.37 4.81 0.78 -0.83 114.58 123.22 1nvo h GLU 41 Ca 0.38 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.70 1nvo h GLU 41 Cb 0.02 -0.22 -0.11 0.00 0.63 0.00 0.00 28.75 29.07 1nvo h GLU 41 CO -0.12 0.66 0.11 2.35 -0.73 0.00 0.00 179.01 181.27 1nvo h TRP 42 N 1.02 0.15 0.00 0.92 7.01 -0.60 0.34 115.95 124.78 1nvo h TRP 42 Ca 0.29 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1nvo h TRP 42 Cb -0.06 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1nvo h TRP 42 CO -0.00 -0.11 0.00 -0.07 -2.79 0.00 0.00 178.44 175.47 1nvo h LEU 43 N 0.21 0.00 0.00 0.65 3.38 -1.20 -0.19 115.31 118.16 1nvo h LEU 43 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1nvo h LEU 43 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1nvo h LEU 43 CO -0.51 0.00 -0.40 -0.62 0.09 0.00 0.00 178.44 177.00 1nvo n GLU 44 N -2.95 0.05 -0.11 1.13 1.02 0.92 -4.32 120.64 116.38 1nvo n GLU 44 Ca 0.02 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1nvo n GLU 44 Cb 0.34 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.61 1.25 -0.33 2.62 5.66 0.31 -2.52 114.28 119.67 1nvo n THR 45 Ca 0.05 -0.47 0.19 0.00 -3.05 0.00 0.00 64.05 60.78 1nvo n THR 45 Cb 0.35 -1.29 0.40 0.00 -1.55 0.00 0.00 70.33 68.25 1nvo n THR 45 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1nvo h ILE 46 N -0.02 0.36 0.00 1.09 6.09 -1.24 -3.30 117.51 120.48 1nvo h ILE 46 Ca -0.49 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1nvo h ILE 46 Cb 1.75 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1nvo h ILE 46 CO -0.08 0.06 -0.21 -0.11 -3.07 0.00 0.00 178.15 174.74 1nvo n LEU 47 N -5.06 0.86 0.00 2.19 7.94 -1.26 -5.13 117.00 116.53 1nvo n LEU 47 Ca 0.28 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1nvo n LEU 47 Cb 0.85 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1nvo n LEU 47 CO 0.10 -0.56 0.00 0.61 -1.11 0.00 0.00 177.39 176.43