#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 3.20 -2.06 -3.27 116.97 114.17 1nvo h TYR 2 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nvo h TYR 2 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1nvo h TYR 2 CO 0.00 0.00 -0.51 1.28 -1.64 0.00 0.00 178.16 177.29 1nvo n LEU 3 N -3.48 0.00 -0.29 2.82 4.77 -1.26 -4.65 117.00 114.92 1nvo n LEU 3 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1nvo n LEU 3 Cb 0.08 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 1nvo n LEU 3 CO 0.24 0.00 1.23 0.03 -1.33 0.00 0.00 177.39 177.56 1nvo h ARG 4 N 0.00 0.83 -0.05 3.23 3.08 -1.96 0.20 114.38 119.72 1nvo h ARG 4 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1nvo h ARG 4 Cb 0.17 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1nvo h ARG 4 CO 0.00 0.55 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 1nvo n GLU 5 N -4.55 1.87 0.00 0.04 4.71 -1.25 -0.34 120.64 121.12 1nvo n GLU 5 Ca 0.16 -1.27 0.00 0.00 -0.01 0.00 0.00 57.16 56.04 1nvo n GLU 5 Cb 0.35 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 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 0.53 0.00 0.02 -4.62 4.32 -0.67 -4.72 117.00 111.85 1nvo n LEU 6 Ca 0.17 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1nvo n LEU 6 Cb 0.42 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1nvo n LEU 6 CO 0.16 0.00 -0.18 -0.11 -1.22 0.00 0.00 177.39 176.04 1nvo n LEU 7 N -1.19 0.08 -0.14 2.23 7.94 0.63 -4.53 117.00 122.02 1nvo n LEU 7 Ca 0.00 0.07 -0.09 0.00 -1.11 0.00 0.00 56.01 54.88 1nvo n LEU 7 Cb 0.00 0.02 0.06 0.00 0.53 0.00 0.00 43.42 44.03 1nvo n LEU 7 CO 0.00 -0.37 0.74 0.50 -1.11 0.00 0.00 177.39 177.15 1nvo h LYS 8 N 0.00 0.90 0.67 1.96 3.11 -1.12 0.78 116.57 122.87 1nvo h LYS 8 Ca 0.00 -0.34 -0.03 0.00 -2.81 0.00 0.00 60.65 57.48 1nvo h LYS 8 Cb 0.36 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1nvo h LYS 8 CO 0.00 0.99 -0.39 -0.07 -2.81 0.00 0.00 179.45 177.16 1nvo h LEU 9 N 0.80 -0.98 -0.93 5.20 3.38 -0.94 -3.13 115.31 118.72 1nvo h LEU 9 Ca 0.12 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.38 1nvo h LEU 9 Cb 0.68 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1nvo h LEU 9 CO 0.05 -0.62 0.44 -0.33 0.09 0.00 0.00 178.44 178.07 1nvo h GLU 10 N -0.99 0.40 -0.01 1.13 4.39 -1.44 0.57 114.58 118.62 1nvo h GLU 10 Ca -0.09 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1nvo h GLU 10 Cb 0.80 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 1nvo h GLU 10 CO 0.10 0.26 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.77 1nvo h LEU 11 N 0.41 -1.11 -2.59 1.33 3.38 -0.85 -0.10 115.31 115.77 1nvo h LEU 11 Ca 0.60 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.71 1nvo h LEU 11 Cb 1.17 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1nvo h LEU 11 CO -0.54 -0.42 -0.01 0.06 0.09 0.00 0.00 178.44 177.62 1nvo h GLN 12 N -0.52 0.00 0.03 1.13 3.07 -0.87 -1.17 115.11 116.78 1nvo h GLN 12 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.80 1nvo h GLN 12 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 1nvo h GLN 12 CO -0.30 0.01 -0.01 -0.07 0.09 0.00 0.00 178.83 178.55 1nvo h LEU 13 N 0.00 -0.03 -0.43 0.06 3.38 -0.63 0.27 115.31 117.93 1nvo h LEU 13 Ca -0.00 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.36 1nvo h LEU 13 Cb 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1nvo h LEU 13 CO 0.00 0.74 -0.07 0.40 0.09 0.00 0.00 178.44 179.60 1nvo h ILE 14 N -0.86 0.60 -0.07 1.22 1.08 -0.88 0.52 117.51 119.12 1nvo h ILE 14 Ca -0.00 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1nvo h ILE 14 Cb 0.73 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 1nvo h ILE 14 CO 0.01 0.01 -0.41 0.50 -0.69 0.00 0.00 178.15 177.56 1nvo h LYS 15 N 0.03 -0.50 -0.38 2.37 1.63 -1.24 -1.24 116.57 117.24 1nvo h LYS 15 Ca 0.21 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1nvo h LYS 15 Cb 0.32 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1nvo h LYS 15 CO -0.42 -0.34 0.04 1.96 -3.45 0.00 0.00 179.45 177.25 1nvo h GLN 16 N -0.52 0.58 -0.37 1.90 1.08 0.56 -0.37 115.11 117.97 1nvo h GLN 16 Ca 0.06 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 1nvo h GLN 16 Cb 0.63 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1nvo h GLN 16 CO -0.36 0.58 -0.08 1.88 -0.95 0.00 0.00 178.83 179.90 1nvo h TYR 17 N 0.56 0.68 -0.14 2.96 0.05 0.41 0.20 116.97 121.69 1nvo h TYR 17 Ca 0.12 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 1nvo h TYR 17 Cb 0.30 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1nvo h TYR 17 CO 0.01 0.70 -0.30 0.00 -1.05 0.00 0.00 178.16 177.52 1nvo h ARG 18 N 0.59 0.45 -0.63 4.88 3.08 -0.33 0.66 114.38 123.08 1nvo h ARG 18 Ca 0.11 -0.30 0.10 0.00 0.07 0.00 0.00 59.98 59.96 1nvo h ARG 18 Cb 0.49 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 1nvo h ARG 18 CO 0.03 0.90 0.24 1.49 -1.07 0.00 0.00 179.97 181.56 1nvo h GLU 19 N 0.06 0.41 0.01 0.04 4.81 -0.68 -2.38 114.58 116.85 1nvo h GLU 19 Ca 0.00 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 1nvo h GLU 19 Cb 0.89 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1nvo h GLU 19 CO 0.07 0.27 -0.93 0.00 -0.73 0.00 0.00 179.01 177.68 1nvo h ALA 20 N 1.43 0.41 -0.86 2.92 0.00 -0.53 -3.32 119.26 119.32 1nvo h ALA 20 Ca 0.32 -0.73 0.17 0.00 0.00 0.00 0.00 54.91 54.67 1nvo h ALA 20 Cb 0.40 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 1nvo h ALA 20 CO -0.31 0.87 -0.20 1.25 0.00 0.00 0.00 179.25 180.86 1nvo h LEU 21 N 0.16 -0.78 -0.98 0.00 5.85 -0.31 0.28 115.31 119.53 1nvo h LEU 21 Ca -0.07 0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1nvo h LEU 21 Cb 1.58 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 43.12 1nvo h LEU 21 CO 0.15 -0.28 -0.24 1.05 -0.34 0.00 0.00 178.44 178.78 1nvo h GLU 22 N 0.00 0.45 0.05 1.25 4.11 -1.65 0.27 114.58 119.05 1nvo h GLU 22 Ca 0.41 -0.16 -0.25 0.00 0.07 0.00 0.00 59.36 59.43 1nvo h GLU 22 Cb 0.64 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1nvo h GLU 22 CO -0.88 0.66 -1.05 1.88 0.07 0.00 0.00 179.01 179.69 1nvo h TYR 23 N 0.40 0.65 0.00 2.06 -1.99 -1.10 -3.34 116.97 113.65 1nvo h TYR 23 Ca 0.06 -0.39 -0.25 0.00 2.00 0.00 0.00 58.73 60.16 1nvo h TYR 23 Cb 0.64 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 1nvo h TYR 23 CO 0.02 1.23 -1.45 0.28 -0.00 0.00 0.00 178.16 178.24 1nvo h VAL 24 N 0.21 1.01 -4.10 -2.88 2.07 -0.29 -3.48 116.25 108.78 1nvo h VAL 24 Ca -0.11 -2.77 -0.41 0.00 0.82 0.00 0.00 66.70 64.24 1nvo h VAL 24 Cb 1.71 2.47 0.03 0.00 -1.52 0.00 0.00 31.29 33.99 1nvo h VAL 24 CO 0.18 0.58 -0.58 0.29 0.02 0.00 0.00 177.57 178.06 1nvo n LYS 25 N -3.11 -3.91 -4.01 1.57 5.02 0.91 -4.99 118.16 109.64 1nvo n LYS 25 Ca -0.11 0.92 -0.34 0.00 -2.02 0.00 0.00 58.31 56.76 1nvo n LYS 25 Cb 0.99 -5.72 -0.15 0.00 -0.02 0.00 0.00 35.03 30.13 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 -6.49 3.05 0.51 -0.35 2.96 -1.26 -5.00 118.68 112.10 1nvo s LEU 26 Ca 0.22 -0.92 0.17 0.00 -0.22 0.00 0.00 54.13 53.37 1nvo s LEU 26 Cb -0.10 -1.61 1.26 0.00 0.50 0.00 0.00 46.19 46.24 1nvo s LEU 26 CO 0.27 -0.12 2.12 1.55 -1.32 0.00 0.00 176.35 178.86 1nvo h PRO 27 N 7.96 0.04 -1.00 0.98 0.13 -1.94 -1.51 132.00 136.66 1nvo h PRO 27 Ca -0.33 -0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.03 1nvo h PRO 27 Cb 1.10 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 1nvo h PRO 27 CO 0.57 0.02 0.63 0.28 -0.23 0.00 0.00 178.00 179.27 1nvo h VAL 28 N 0.04 0.61 -0.10 1.56 2.07 -1.98 0.11 116.25 118.56 1nvo h VAL 28 Ca 0.04 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1nvo h VAL 28 Cb 0.13 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1nvo h VAL 28 CO -0.00 0.10 0.03 -0.07 0.02 0.00 0.00 177.57 177.64 1nvo h LEU 29 N 0.53 0.02 -1.33 2.57 4.07 -1.68 0.36 115.31 119.84 1nvo h LEU 29 Ca 0.57 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.47 1nvo h LEU 29 Cb 1.22 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1nvo h LEU 29 CO -0.32 0.03 -0.33 0.00 -1.08 0.00 0.00 178.44 176.74 1nvo h ALA 30 N 1.06 1.40 0.09 1.53 0.00 -0.99 0.69 119.26 123.05 1nvo h ALA 30 Ca 0.04 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1nvo h ALA 30 Cb 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nvo h ALA 30 CO -0.05 0.41 -1.16 0.87 0.00 0.00 0.00 179.25 179.33 1nvo h LYS 31 N 0.00 0.63 -0.30 0.00 6.56 -0.53 -2.23 116.57 120.69 1nvo h LYS 31 Ca -0.00 -0.79 0.04 0.00 -1.06 0.00 0.00 60.65 58.83 1nvo h LYS 31 Cb 0.60 0.25 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 1nvo h LYS 31 CO 0.04 1.35 0.09 0.82 -2.06 0.00 0.00 179.45 179.70 1nvo h ILE 32 N 0.26 0.90 -0.27 1.86 2.04 0.09 -2.08 117.51 120.31 1nvo h ILE 32 Ca -0.17 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1nvo h ILE 32 Cb 1.83 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1nvo h ILE 32 CO 0.22 0.04 -0.21 0.17 0.00 0.00 0.00 178.15 178.38 1nvo h LEU 33 N 0.22 0.49 -0.08 1.44 8.10 -0.90 -2.66 115.31 121.93 1nvo h LEU 33 Ca 0.14 -0.15 0.01 0.00 0.11 0.00 0.00 57.88 57.98 1nvo h LEU 33 Cb 0.12 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 1nvo h LEU 33 CO -0.15 0.71 0.01 -0.08 -4.11 0.00 0.00 178.44 174.82 1nvo h GLU 34 N 0.44 0.05 -0.19 0.17 4.81 -0.75 0.21 114.58 119.31 1nvo h GLU 34 Ca 0.07 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1nvo h GLU 34 Cb 0.61 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1nvo h GLU 34 CO 0.04 0.03 0.04 0.22 -0.73 0.00 0.00 179.01 178.61 1nvo h ASP 35 N 0.05 0.01 -0.60 1.04 3.58 -1.15 -1.47 116.42 117.88 1nvo h ASP 35 Ca 0.04 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.61 1nvo h ASP 35 Cb 0.03 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 1nvo h ASP 35 CO -0.05 0.04 0.21 -0.33 -2.88 0.00 0.00 179.24 176.23 1nvo h GLU 36 N 0.12 0.37 -1.03 0.28 4.39 -1.19 -1.90 114.58 115.61 1nvo h GLU 36 Ca 0.09 -0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.05 1nvo h GLU 36 Cb 0.08 -0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 28.52 1nvo h GLU 36 CO -0.11 0.24 0.62 1.49 -1.16 0.00 0.00 179.01 180.09 1nvo h GLU 37 N 0.38 0.43 -0.24 2.33 4.22 0.14 0.15 114.58 121.98 1nvo h GLU 37 Ca 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 1nvo h GLU 37 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1nvo h GLU 37 CO -0.32 0.28 0.06 -0.22 -2.18 0.00 0.00 179.01 176.63 1nvo h LYS 38 N 0.44 0.39 -0.60 1.92 1.63 -1.14 0.31 116.57 119.52 1nvo h LYS 38 Ca 0.67 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1nvo h LYS 38 Cb 1.49 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.04 1nvo h LYS 38 CO -0.47 0.49 0.39 0.45 -3.45 0.00 0.00 179.45 176.86 1nvo h HIS 39 N 0.21 0.77 -0.76 1.91 3.86 -0.82 -1.83 115.15 118.49 1nvo h HIS 39 Ca 0.08 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1nvo h HIS 39 Cb 0.28 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1nvo h HIS 39 CO 0.01 0.50 0.27 0.82 0.86 0.00 0.00 177.93 180.39 1nvo h ILE 40 N 0.81 1.26 -0.89 2.45 2.04 -0.73 -1.09 117.51 121.37 1nvo h ILE 40 Ca 0.22 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.32 1nvo h ILE 40 Cb -0.07 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.32 1nvo h ILE 40 CO -0.05 0.34 0.53 -0.08 0.00 0.00 0.00 178.15 178.90 1nvo h GLU 41 N 1.12 0.84 -0.99 2.37 4.81 0.01 -0.51 114.58 122.22 1nvo h GLU 41 Ca 0.25 -0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.64 1nvo h GLU 41 Cb 0.26 -0.19 -0.11 0.00 0.63 0.00 0.00 28.75 29.34 1nvo h GLU 41 CO -0.01 0.56 0.58 2.35 -0.73 0.00 0.00 179.01 181.75 1nvo h TRP 42 N 0.87 1.01 -0.04 0.92 7.01 -0.35 0.13 115.95 125.50 1nvo h TRP 42 Ca 0.43 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 61.32 1nvo h TRP 42 Cb 0.39 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1nvo h TRP 42 CO -0.04 0.16 -0.61 -0.07 -2.79 0.00 0.00 178.44 175.08 1nvo h LEU 43 N 0.67 0.16 -1.17 0.65 4.07 -1.06 0.32 115.31 118.96 1nvo h LEU 43 Ca 0.59 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.41 1nvo h LEU 43 Cb 1.00 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1nvo h LEU 43 CO -0.42 0.74 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.11 1nvo h GLU 44 N 0.10 0.00 0.00 1.13 4.39 -0.51 -3.35 114.58 116.34 1nvo h GLU 44 Ca -0.01 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1nvo h GLU 44 Cb 1.11 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1nvo h GLU 44 CO 0.09 0.24 -2.18 -2.37 -1.16 0.00 0.00 179.01 173.63 1nvo n THR 45 N -3.44 1.18 -3.65 1.13 5.66 -0.31 -5.03 114.28 109.82 1nvo n THR 45 Ca -0.00 -0.39 -0.24 0.00 -3.05 0.00 0.00 64.05 60.37 1nvo n THR 45 Cb 0.42 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 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 -3.46 -2.40 -1.30 1.09 0.13 0.11 -0.35 119.36 113.19 1nvo n ILE 46 Ca -0.39 -0.12 -0.12 0.00 -1.10 0.00 0.00 62.75 61.03 1nvo n ILE 46 Cb 0.85 -2.12 -0.05 0.00 -0.84 0.00 0.00 39.64 37.48 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 -2.68 -0.51 0.00 9.51 7.94 -1.26 -5.11 117.00 124.89 1nvo n LEU 47 Ca -0.22 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1nvo n LEU 47 Cb 0.52 -2.50 0.00 0.00 0.53 0.00 0.00 43.42 41.97 1nvo n LEU 47 CO 0.52 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.46