#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 -1.99 -2.00 -0.65 116.97 111.66 1nvo h TYR 2 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 1nvo h TYR 2 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1nvo h TYR 2 CO 0.00 0.00 -1.17 1.28 -0.00 0.00 0.00 178.16 178.27 1nvo n LEU 3 N -3.13 0.05 -0.33 3.88 4.77 -1.26 -3.56 117.00 117.43 1nvo n LEU 3 Ca -0.02 -0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1nvo n LEU 3 Cb 0.17 0.06 0.25 0.00 -2.33 0.00 0.00 43.42 41.56 1nvo n LEU 3 CO 0.19 0.07 1.16 0.03 -1.33 0.00 0.00 177.39 177.51 1nvo h ARG 4 N 0.00 0.74 0.00 3.23 2.47 -1.88 0.30 114.38 119.24 1nvo h ARG 4 Ca -0.07 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.35 1nvo h ARG 4 Cb 1.15 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 1nvo h ARG 4 CO 0.00 0.49 -1.65 0.39 0.56 0.00 0.00 179.97 179.76 1nvo n GLU 5 N -4.77 0.63 -1.19 0.04 1.02 -0.28 -1.92 120.64 114.17 1nvo n GLU 5 Ca 0.19 0.26 -0.09 0.00 -0.02 0.00 0.00 57.16 57.50 1nvo n GLU 5 Cb 0.44 -1.79 0.13 0.00 -0.02 0.00 0.00 31.44 30.21 1nvo n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvo n LEU 6 N -2.98 4.03 0.20 -4.62 4.32 -1.13 -4.41 117.00 112.41 1nvo n LEU 6 Ca -0.15 -4.21 0.00 0.00 -0.02 0.00 0.00 56.01 51.63 1nvo n LEU 6 Cb 0.99 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1nvo n LEU 6 CO 0.44 1.64 0.00 -0.11 -1.22 0.00 0.00 177.39 178.14 1nvo n LEU 7 N -0.97 -3.53 -0.11 2.23 7.94 0.89 -4.78 117.00 118.67 1nvo n LEU 7 Ca 0.33 0.77 -0.10 0.00 -1.11 0.00 0.00 56.01 55.89 1nvo n LEU 7 Cb 0.86 3.36 -0.02 0.00 0.53 0.00 0.00 43.42 48.14 1nvo n LEU 7 CO 0.20 0.18 0.82 0.50 -1.11 0.00 0.00 177.39 177.99 1nvo h LYS 8 N 0.00 0.55 -0.27 1.96 3.64 -0.99 0.15 116.57 121.60 1nvo h LYS 8 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1nvo h LYS 8 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1nvo h LYS 8 CO 0.00 0.63 0.17 -0.07 -2.27 0.00 0.00 179.45 177.91 1nvo h LEU 9 N 0.38 0.32 -0.78 5.20 3.38 -1.59 -2.92 115.31 119.30 1nvo h LEU 9 Ca 0.10 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.18 1nvo h LEU 9 Cb 0.35 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1nvo h LEU 9 CO 0.01 0.27 0.31 -0.33 0.09 0.00 0.00 178.44 178.79 1nvo h GLU 10 N 0.35 0.42 -0.37 1.13 4.39 -1.55 0.69 114.58 119.64 1nvo h GLU 10 Ca 0.10 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1nvo h GLU 10 Cb 0.01 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1nvo h GLU 10 CO -0.02 0.28 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.04 1nvo h LEU 11 N 0.43 -0.15 -2.18 1.33 3.38 -0.55 -0.14 115.31 117.44 1nvo h LEU 11 Ca 0.44 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.54 1nvo h LEU 11 Cb 0.70 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1nvo h LEU 11 CO -0.43 -0.04 0.13 -0.61 0.09 0.00 0.00 178.44 177.59 1nvo h GLN 12 N 0.10 0.00 0.12 1.13 -0.00 -0.76 -0.36 115.11 115.35 1nvo h GLN 12 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.82 1nvo h GLN 12 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1nvo h GLN 12 CO -0.30 0.00 -0.06 -0.07 0.00 0.00 0.00 178.83 178.40 1nvo h LEU 13 N 0.00 -0.14 -0.49 -2.39 3.38 -0.48 0.12 115.31 115.32 1nvo h LEU 13 Ca 0.07 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1nvo h LEU 13 Cb 0.34 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1nvo h LEU 13 CO -0.00 0.46 0.01 0.40 0.09 0.00 0.00 178.44 179.39 1nvo h ILE 14 N -0.85 0.63 0.11 1.22 1.08 -0.94 0.56 117.51 119.31 1nvo h ILE 14 Ca -0.02 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1nvo h ILE 14 Cb 0.55 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1nvo h ILE 14 CO 0.03 0.02 -0.32 0.50 -0.69 0.00 0.00 178.15 177.69 1nvo h LYS 15 N 0.12 -0.52 -0.33 2.37 1.63 -1.12 -1.81 116.57 116.90 1nvo h LYS 15 Ca 0.24 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1nvo h LYS 15 Cb 0.36 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1nvo h LYS 15 CO -0.40 -0.35 0.15 1.96 -3.45 0.00 0.00 179.45 177.36 1nvo h GLN 16 N -0.54 0.45 -0.33 1.90 1.08 0.66 -0.73 115.11 117.59 1nvo h GLN 16 Ca 0.03 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1nvo h GLN 16 Cb 0.58 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1nvo h GLN 16 CO -0.20 0.36 -0.08 1.88 -0.95 0.00 0.00 178.83 179.84 1nvo h TYR 17 N 0.46 0.59 -0.11 2.96 0.05 0.50 0.18 116.97 121.59 1nvo h TYR 17 Ca 0.12 -0.08 -0.19 0.00 0.05 0.00 0.00 58.73 58.62 1nvo h TYR 17 Cb 0.07 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 37.65 1nvo h TYR 17 CO 0.00 0.63 -0.67 0.00 -1.05 0.00 0.00 178.16 177.08 1nvo h ARG 18 N 0.52 0.65 -0.23 4.88 3.08 -0.34 0.12 114.38 123.05 1nvo h ARG 18 Ca 0.10 -0.55 0.05 0.00 0.07 0.00 0.00 59.98 59.65 1nvo h ARG 18 Cb 0.46 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1nvo h ARG 18 CO 0.02 1.17 -0.09 1.49 -1.07 0.00 0.00 179.97 181.49 1nvo h GLU 19 N 0.31 -0.04 0.03 0.04 4.81 -0.81 -3.10 114.58 115.82 1nvo h GLU 19 Ca -0.05 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.95 1nvo h GLU 19 Cb 1.31 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1nvo h GLU 19 CO 0.14 -0.03 -1.12 0.00 -0.73 0.00 0.00 179.01 177.27 1nvo h ALA 20 N 1.17 0.33 -0.90 2.92 0.00 -0.60 -3.29 119.26 118.88 1nvo h ALA 20 Ca 0.12 -0.95 0.17 0.00 0.00 0.00 0.00 54.91 54.25 1nvo h ALA 20 Cb 0.23 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.78 1nvo h ALA 20 CO -0.27 1.22 -0.25 1.25 0.00 0.00 0.00 179.25 181.19 1nvo h LEU 21 N 0.02 -0.94 -0.75 0.00 5.85 -0.69 0.24 115.31 119.04 1nvo h LEU 21 Ca -0.06 0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1nvo h LEU 21 Cb 1.84 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 43.43 1nvo h LEU 21 CO 0.14 -0.30 0.09 1.05 -0.34 0.00 0.00 178.44 179.08 1nvo h GLU 22 N -0.01 1.04 -0.39 1.25 4.11 -1.62 0.18 114.58 119.15 1nvo h GLU 22 Ca 0.41 -0.28 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 1nvo h GLU 22 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1nvo h GLU 22 CO -0.93 0.96 -0.10 1.88 0.07 0.00 0.00 179.01 180.90 1nvo h TYR 23 N 0.97 0.73 0.02 2.06 -1.99 -1.24 -3.21 116.97 114.32 1nvo h TYR 23 Ca 0.19 -0.12 -0.22 0.00 2.00 0.00 0.00 58.73 60.58 1nvo h TYR 23 Cb 0.44 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1nvo h TYR 23 CO 0.03 0.75 -1.04 0.28 -0.00 0.00 0.00 178.16 178.18 1nvo h VAL 24 N 0.62 1.68 -5.61 -2.88 2.07 0.21 -3.49 116.25 108.85 1nvo h VAL 24 Ca 0.11 -3.36 -0.27 0.00 0.82 0.00 0.00 66.70 64.00 1nvo h VAL 24 Cb 0.53 2.87 0.16 0.00 -1.52 0.00 0.00 31.29 33.32 1nvo h VAL 24 CO 0.03 0.96 -0.80 0.29 0.02 0.00 0.00 177.57 178.08 1nvo n LYS 25 N -3.38 -1.95 -3.68 1.57 5.02 0.57 -5.05 118.16 111.26 1nvo n LYS 25 Ca -0.01 0.85 -0.11 0.00 -2.02 0.00 0.00 58.31 57.01 1nvo n LYS 25 Cb 0.95 -5.45 -0.11 0.00 -0.02 0.00 0.00 35.03 30.40 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 -5.47 -0.30 0.30 -0.35 2.96 -1.26 -5.05 118.68 109.51 1nvo s LEU 26 Ca 0.42 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1nvo s LEU 26 Cb -0.08 1.12 0.46 0.00 0.50 0.00 0.00 46.19 48.19 1nvo s LEU 26 CO 0.77 -0.22 1.85 1.55 -1.32 0.00 0.00 176.35 178.98 1nvo h PRO 27 N 7.82 0.78 -1.08 0.98 0.13 -1.96 -2.35 132.00 136.31 1nvo h PRO 27 Ca -0.24 -0.15 0.32 0.00 -0.87 0.00 0.00 66.00 65.07 1nvo h PRO 27 Cb 1.13 -0.12 -0.13 0.00 0.13 0.00 0.00 31.00 32.02 1nvo h PRO 27 CO 0.20 0.69 0.66 0.28 -0.23 0.00 0.00 178.00 179.60 1nvo h VAL 28 N 0.75 0.36 0.11 1.56 2.07 -1.98 -0.05 116.25 119.07 1nvo h VAL 28 Ca 0.17 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1nvo h VAL 28 Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1nvo h VAL 28 CO -0.00 0.06 -0.09 -0.07 0.02 0.00 0.00 177.57 177.49 1nvo h LEU 29 N 0.33 -0.22 -1.48 2.57 -0.00 -1.83 0.53 115.31 115.21 1nvo h LEU 29 Ca 0.70 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 58.54 1nvo h LEU 29 Cb 1.76 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 42.48 1nvo h LEU 29 CO -0.46 -0.14 -0.27 0.00 -0.00 0.00 0.00 178.44 177.58 1nvo h ALA 30 N 0.68 1.44 -0.09 1.53 0.00 -1.19 -0.26 119.26 121.37 1nvo h ALA 30 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 1nvo h ALA 30 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nvo h ALA 30 CO -0.01 0.33 -0.79 0.87 0.00 0.00 0.00 179.25 179.65 1nvo h LYS 31 N 0.00 0.70 0.09 0.00 1.57 -0.41 -2.26 116.57 116.25 1nvo h LYS 31 Ca -0.00 -0.63 0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1nvo h LYS 31 Cb 0.51 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1nvo h LYS 31 CO 0.03 1.23 -0.13 0.82 -0.57 0.00 0.00 179.45 180.83 1nvo h ILE 32 N 0.38 0.69 -0.06 1.86 2.04 0.44 -2.45 117.51 120.42 1nvo h ILE 32 Ca -0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1nvo h ILE 32 Cb 1.43 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1nvo h ILE 32 CO 0.16 0.00 -0.21 0.17 0.00 0.00 0.00 178.15 178.27 1nvo h LEU 33 N -0.27 0.09 0.01 1.44 8.10 -1.05 -1.56 115.31 122.06 1nvo h LEU 33 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1nvo h LEU 33 Cb 0.28 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1nvo h LEU 33 CO -0.07 0.30 -0.01 -0.08 -4.11 0.00 0.00 178.44 174.48 1nvo h GLU 34 N 0.09 -0.02 0.13 0.17 4.22 -1.00 0.15 114.58 118.31 1nvo h GLU 34 Ca 0.02 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.47 1nvo h GLU 34 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1nvo h GLU 34 CO 0.03 0.00 -0.29 0.22 -2.18 0.00 0.00 179.01 176.79 1nvo h ASP 35 N -0.03 -0.83 -0.91 1.04 1.82 -0.87 -1.54 116.42 115.09 1nvo h ASP 35 Ca -0.00 0.10 0.19 0.00 -0.39 0.00 0.00 57.03 56.92 1nvo h ASP 35 Cb 0.03 0.31 -0.11 0.00 0.68 0.00 0.00 39.33 40.24 1nvo h ASP 35 CO 0.00 -0.38 0.48 -0.33 -1.61 0.00 0.00 179.24 177.40 1nvo h GLU 36 N -0.51 0.57 -0.78 0.28 4.39 -1.09 0.70 114.58 118.14 1nvo h GLU 36 Ca 0.03 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1nvo h GLU 36 Cb 0.54 -0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 1nvo h GLU 36 CO -0.17 0.38 0.28 1.49 -1.16 0.00 0.00 179.01 179.83 1nvo h GLU 37 N 0.59 0.37 -0.28 2.33 4.22 0.33 0.15 114.58 122.28 1nvo h GLU 37 Ca 0.54 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.89 1nvo h GLU 37 Cb 0.88 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1nvo h GLU 37 CO -0.43 0.25 -0.08 -0.22 -2.18 0.00 0.00 179.01 176.35 1nvo h LYS 38 N 0.38 0.56 -0.68 1.92 3.64 -0.56 0.54 116.57 122.37 1nvo h LYS 38 Ca 0.44 -0.22 0.14 0.00 -1.27 0.00 0.00 60.65 59.74 1nvo h LYS 38 Cb 0.73 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.42 1nvo h LYS 38 CO -0.46 0.77 0.19 0.45 -2.27 0.00 0.00 179.45 178.13 1nvo h HIS 39 N 0.31 0.30 -0.05 1.91 3.86 -0.94 -1.06 115.15 119.49 1nvo h HIS 39 Ca 0.07 0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 59.14 1nvo h HIS 39 Cb 0.57 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1nvo h HIS 39 CO 0.05 -0.02 -0.75 0.82 0.86 0.00 0.00 177.93 178.89 1nvo h ILE 40 N 0.31 1.41 -0.79 2.45 2.04 -0.77 -3.17 117.51 119.00 1nvo h ILE 40 Ca 0.37 -2.24 0.07 0.00 1.00 0.00 0.00 64.86 64.07 1nvo h ILE 40 Cb 0.59 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 1nvo h ILE 40 CO -0.44 0.66 0.52 -0.08 0.00 0.00 0.00 178.15 178.81 1nvo h GLU 41 N 0.20 0.79 -0.74 2.37 4.22 0.14 0.13 114.58 121.70 1nvo h GLU 41 Ca -0.03 -0.05 0.16 0.00 0.08 0.00 0.00 59.36 59.52 1nvo h GLU 41 Cb 1.32 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.28 1nvo h GLU 41 CO 0.12 0.52 0.17 2.35 -2.18 0.00 0.00 179.01 179.99 1nvo h TRP 42 N 0.81 0.26 0.00 0.92 7.01 -1.41 0.24 115.95 123.78 1nvo h TRP 42 Ca 0.35 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1nvo h TRP 42 Cb 0.31 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1nvo h TRP 42 CO -0.00 -0.09 0.00 -0.07 -2.79 0.00 0.00 178.44 175.49 1nvo h LEU 43 N 0.26 0.00 0.04 0.65 3.38 -0.90 -2.25 115.31 116.49 1nvo h LEU 43 Ca 0.42 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.15 1nvo h LEU 43 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1nvo h LEU 43 CO -0.52 0.00 -1.17 -0.33 0.09 0.00 0.00 178.44 176.52 1nvo h GLU 44 N 0.00 0.08 0.02 1.13 5.08 -0.38 -3.37 114.58 117.15 1nvo h GLU 44 Ca 0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1nvo h GLU 44 Cb 0.60 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1nvo h GLU 44 CO 0.00 1.01 -0.99 0.00 -1.00 0.00 0.00 179.01 178.03 1nvo h THR 45 N 0.02 1.40 -0.02 1.13 1.03 -0.75 -3.37 112.91 112.36 1nvo h THR 45 Ca -0.08 -2.50 -0.09 0.00 -0.01 0.00 0.00 66.41 63.73 1nvo h THR 45 Cb 1.86 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 71.41 1nvo h THR 45 CO 0.14 0.75 -0.39 -0.29 -0.01 0.00 0.00 175.52 175.72 1nvo h ILE 46 N 0.22 1.29 -1.64 0.00 2.10 -1.57 -3.30 117.51 114.62 1nvo h ILE 46 Ca -0.09 -1.38 -0.45 0.00 1.08 0.00 0.00 64.86 64.03 1nvo h ILE 46 Cb 1.63 1.72 -0.31 0.00 -1.09 0.00 0.00 36.82 38.78 1nvo h ILE 46 CO 0.17 0.40 -0.86 -0.11 -1.08 0.00 0.00 178.15 176.67 1nvo n LEU 47 N -4.06 -1.19 0.00 2.19 0.00 -1.26 -5.14 117.00 107.54 1nvo n LEU 47 Ca -0.02 -4.05 0.03 0.00 0.00 0.00 0.00 56.01 51.98 1nvo n LEU 47 Cb 0.43 0.66 0.18 0.00 0.00 0.00 0.00 43.42 44.70 1nvo n LEU 47 CO 0.39 1.96 0.42 0.61 0.00 0.00 0.00 177.39 180.77