#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 0.13 0.30 1.24 -0.00 -2.02 0.23 116.97 116.85 1nvo h TYR 2 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 58.73 58.77 1nvo h TYR 2 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 1nvo h TYR 2 CO 0.00 -0.26 -0.14 -0.07 -0.00 0.00 0.00 178.16 177.69 1nvo h LEU 3 N 0.14 -0.34 -2.00 0.10 3.38 -2.03 -0.07 115.31 114.50 1nvo h LEU 3 Ca 0.50 -0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.61 1nvo h LEU 3 Cb 0.98 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1nvo h LEU 3 CO -0.70 -0.10 0.58 0.03 0.09 0.00 0.00 178.44 178.35 1nvo h ARG 4 N -0.58 0.00 0.22 1.13 3.08 -1.55 0.12 114.38 116.80 1nvo h ARG 4 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1nvo h ARG 4 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1nvo h ARG 4 CO 0.07 0.00 -0.11 0.93 -1.07 0.00 0.00 179.97 179.79 1nvo h GLU 5 N 0.00 -0.29 -1.63 0.04 5.08 -0.48 -0.49 114.58 116.82 1nvo h GLU 5 Ca 0.39 0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.60 1nvo h GLU 5 Cb 1.54 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.79 1nvo h GLU 5 CO -0.01 0.06 0.21 1.28 -1.00 0.00 0.00 179.01 179.55 1nvo n LEU 6 N -4.98 5.59 0.00 1.33 4.77 -0.09 -3.19 117.00 120.44 1nvo n LEU 6 Ca -0.07 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 1nvo n LEU 6 Cb 0.24 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1nvo n LEU 6 CO 0.22 1.04 0.00 -0.11 -1.33 0.00 0.00 177.39 177.21 1nvo n LEU 7 N 0.77 0.00 -0.05 2.23 0.00 0.31 -4.75 117.00 115.51 1nvo n LEU 7 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.04 1nvo n LEU 7 Cb 0.58 0.27 -0.07 0.00 0.00 0.00 0.00 43.42 44.21 1nvo n LEU 7 CO 0.19 -0.39 0.70 0.50 0.00 0.00 0.00 177.39 178.39 1nvo h LYS 8 N 0.00 0.27 -0.45 1.96 3.64 -1.26 0.85 116.57 121.58 1nvo h LYS 8 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1nvo h LYS 8 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1nvo h LYS 8 CO 0.00 0.56 0.16 -0.07 -2.27 0.00 0.00 179.45 177.83 1nvo h LEU 9 N -0.03 0.63 -0.76 5.20 3.38 -1.57 -2.88 115.31 119.28 1nvo h LEU 9 Ca 0.04 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1nvo h LEU 9 Cb 0.46 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1nvo h LEU 9 CO 0.01 0.64 0.36 -0.33 0.09 0.00 0.00 178.44 179.22 1nvo h GLU 10 N 0.58 0.54 -0.85 1.13 4.39 -1.37 -2.09 114.58 116.91 1nvo h GLU 10 Ca 0.15 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1nvo h GLU 10 Cb 0.22 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1nvo h GLU 10 CO -0.01 0.36 0.55 1.25 -1.16 0.00 0.00 179.01 180.00 1nvo h LEU 11 N 0.56 0.91 -2.03 1.33 6.46 -0.63 -0.18 115.31 121.73 1nvo h LEU 11 Ca 0.40 -0.01 0.12 0.00 -0.12 0.00 0.00 57.88 58.27 1nvo h LEU 11 Cb 0.51 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1nvo h LEU 11 CO -0.33 0.62 0.39 -0.61 -0.62 0.00 0.00 178.44 177.89 1nvo h GLN 12 N 1.07 0.00 0.35 1.25 -0.00 -1.32 -0.79 115.11 115.66 1nvo h GLN 12 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.97 1nvo h GLN 12 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1nvo h GLN 12 CO -0.12 0.00 -0.17 -0.07 0.00 0.00 0.00 178.83 178.47 1nvo h LEU 13 N 0.00 -0.40 -0.91 -2.39 3.38 -1.00 0.84 115.31 114.83 1nvo h LEU 13 Ca 0.20 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.40 1nvo h LEU 13 Cb 0.97 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1nvo h LEU 13 CO -0.00 0.02 0.43 0.40 0.09 0.00 0.00 178.44 179.38 1nvo h ILE 14 N -1.08 0.52 0.05 1.22 5.03 -1.46 0.37 117.51 122.16 1nvo h ILE 14 Ca -0.05 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1nvo h ILE 14 Cb 0.36 0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 1nvo h ILE 14 CO 0.08 0.08 -0.02 0.50 -0.68 0.00 0.00 178.15 178.11 1nvo h LYS 15 N 0.46 -0.07 -0.52 2.37 3.11 -1.13 -2.73 116.57 118.06 1nvo h LYS 15 Ca 0.56 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.39 1nvo h LYS 15 Cb 1.03 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.25 1nvo h LYS 15 CO -0.50 -0.03 0.28 0.37 -2.81 0.00 0.00 179.45 176.77 1nvo h GLN 16 N -0.08 0.72 -0.51 1.90 -0.00 0.21 -1.26 115.11 116.08 1nvo h GLN 16 Ca -0.01 -0.07 0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1nvo h GLN 16 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.37 1nvo h GLN 16 CO 0.01 0.53 0.34 1.88 0.00 0.00 0.00 178.83 181.59 1nvo h TYR 17 N 0.72 0.51 -0.12 3.99 0.05 -0.25 -0.09 116.97 121.78 1nvo h TYR 17 Ca 0.19 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 1nvo h TYR 17 Cb 0.02 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1nvo h TYR 17 CO 0.00 0.29 -0.10 0.00 -1.05 0.00 0.00 178.16 177.31 1nvo h ARG 18 N 0.52 0.28 -0.20 4.88 3.08 -0.93 0.08 114.38 122.09 1nvo h ARG 18 Ca 0.21 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1nvo h ARG 18 Cb 0.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1nvo h ARG 18 CO -0.06 0.66 -0.22 1.49 -1.07 0.00 0.00 179.97 180.78 1nvo h GLU 19 N -0.10 -0.23 -0.73 0.04 4.81 -1.24 -1.72 114.58 115.42 1nvo h GLU 19 Ca 0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nvo h GLU 19 Cb 0.60 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1nvo h GLU 19 CO 0.03 -0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.15 1nvo n ALA 20 N -2.74 3.19 -0.11 2.92 0.00 -0.11 -3.66 120.51 120.00 1nvo n ALA 20 Ca -0.01 -1.03 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 1nvo n ALA 20 Cb 0.27 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1nvo n ALA 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nvo n LEU 21 N 0.39 1.92 0.02 0.00 -0.00 0.01 -4.38 117.00 114.95 1nvo n LEU 21 Ca 0.15 0.38 -0.11 0.00 -0.00 0.00 0.00 56.01 56.44 1nvo n LEU 21 Cb 0.73 -0.81 -0.06 0.00 -0.00 0.00 0.00 43.42 43.29 1nvo n LEU 21 CO 0.17 0.03 0.85 -0.33 -0.00 0.00 0.00 177.39 178.11 1nvo h GLU 22 N -1.00 -0.02 -0.62 1.96 4.39 -1.50 0.17 114.58 117.96 1nvo h GLU 22 Ca -0.27 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.49 1nvo h GLU 22 Cb 1.17 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 1nvo h GLU 22 CO -0.16 -0.02 0.41 -0.92 -1.16 0.00 0.00 179.01 177.17 1nvo h TYR 23 N -0.02 0.64 0.02 4.33 5.03 -1.84 -2.73 116.97 122.39 1nvo h TYR 23 Ca 0.03 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 61.12 1nvo h TYR 23 Cb 0.07 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.11 1nvo h TYR 23 CO -0.12 0.35 -1.20 0.28 -1.32 0.00 0.00 178.16 176.14 1nvo h VAL 24 N 0.64 1.48 -5.94 1.81 2.07 -1.20 -3.49 116.25 111.63 1nvo h VAL 24 Ca 0.26 -3.21 -0.38 0.00 0.82 0.00 0.00 66.70 64.20 1nvo h VAL 24 Cb 0.23 2.76 0.10 0.00 -1.52 0.00 0.00 31.29 32.86 1nvo h VAL 24 CO -0.08 0.86 -0.84 0.29 0.02 0.00 0.00 177.57 177.82 1nvo n LYS 25 N -3.31 -4.25 -3.77 1.57 5.02 0.41 -5.02 118.16 108.81 1nvo n LYS 25 Ca -0.05 0.67 -0.37 0.00 -2.02 0.00 0.00 58.31 56.54 1nvo n LYS 25 Cb 0.98 -5.24 -0.13 0.00 -0.02 0.00 0.00 35.03 30.62 1nvo n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nvo s LEU 26 N -6.40 3.90 0.48 -0.35 1.43 -1.26 -4.97 118.68 111.51 1nvo s LEU 26 Ca 0.14 -0.80 0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1nvo s LEU 26 Cb -0.03 -1.87 1.13 0.00 0.03 0.00 0.00 46.19 45.45 1nvo s LEU 26 CO 0.80 -0.21 2.11 1.55 0.23 0.00 0.00 176.35 180.82 1nvo h PRO 27 N 8.22 0.14 -0.84 1.29 0.13 -1.95 0.17 132.00 139.15 1nvo h PRO 27 Ca -0.30 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.88 1nvo h PRO 27 Cb 1.12 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1nvo h PRO 27 CO 0.60 0.12 0.55 0.28 -0.23 0.00 0.00 178.00 179.32 1nvo h VAL 28 N 0.14 1.07 -0.12 1.56 2.07 -1.97 0.20 116.25 119.20 1nvo h VAL 28 Ca 0.04 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1nvo h VAL 28 Cb 0.03 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1nvo h VAL 28 CO -0.00 0.17 -0.01 -0.07 0.02 0.00 0.00 177.57 177.68 1nvo h LEU 29 N 0.96 0.21 -0.59 2.57 3.38 -1.09 0.64 115.31 121.39 1nvo h LEU 29 Ca 0.35 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1nvo h LEU 29 Cb 0.18 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1nvo h LEU 29 CO -0.12 0.49 0.15 0.00 0.09 0.00 0.00 178.44 179.05 1nvo h ALA 30 N 0.73 0.71 -0.12 1.53 0.00 -0.93 0.15 119.26 121.33 1nvo h ALA 30 Ca 0.03 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1nvo h ALA 30 Cb 0.39 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nvo h ALA 30 CO 0.01 -0.28 -0.44 -0.22 0.00 0.00 0.00 179.25 178.32 1nvo h LYS 31 N 0.29 0.28 -0.32 0.00 3.64 -0.27 -2.38 116.57 117.81 1nvo h LYS 31 Ca 0.30 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1nvo h LYS 31 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1nvo h LYS 31 CO -0.37 0.67 -0.21 0.82 -2.27 0.00 0.00 179.45 178.10 1nvo h ILE 32 N 0.23 1.29 -0.35 2.00 2.04 0.14 -2.22 117.51 120.64 1nvo h ILE 32 Ca 0.02 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1nvo h ILE 32 Cb 0.87 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1nvo h ILE 32 CO 0.07 0.43 0.03 0.17 0.00 0.00 0.00 178.15 178.85 1nvo h LEU 33 N 0.46 0.49 0.45 1.44 8.10 -0.44 -1.10 115.31 124.71 1nvo h LEU 33 Ca 0.06 -0.08 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1nvo h LEU 33 Cb 0.75 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1nvo h LEU 33 CO 0.06 0.54 -0.23 -0.08 -4.11 0.00 0.00 178.44 174.62 1nvo h GLU 34 N 0.51 -0.60 -0.34 0.17 4.22 -1.31 -2.31 114.58 114.92 1nvo h GLU 34 Ca 0.11 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.66 1nvo h GLU 34 Cb 0.29 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1nvo h GLU 34 CO 0.01 -0.40 -0.02 0.22 -2.18 0.00 0.00 179.01 176.63 1nvo h ASP 35 N -0.62 -0.19 -0.61 1.04 1.82 -0.61 -1.60 116.42 115.65 1nvo h ASP 35 Ca -0.06 0.08 0.07 0.00 -0.39 0.00 0.00 57.03 56.74 1nvo h ASP 35 Cb 0.49 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 1nvo h ASP 35 CO 0.09 -0.06 0.29 -0.33 -1.61 0.00 0.00 179.24 177.62 1nvo h GLU 36 N 0.07 0.51 -0.88 0.28 5.08 -1.26 -2.39 114.58 115.99 1nvo h GLU 36 Ca 0.16 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 1nvo h GLU 36 Cb 0.23 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.20 1nvo h GLU 36 CO -0.30 0.34 -0.20 1.49 -1.00 0.00 0.00 179.01 179.34 1nvo h GLU 37 N 0.53 0.00 -0.87 2.33 4.22 -0.70 0.49 114.58 120.58 1nvo h GLU 37 Ca 0.29 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.71 1nvo h GLU 37 Cb 0.27 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1nvo h GLU 37 CO -0.23 0.00 0.44 -0.22 -2.18 0.00 0.00 179.01 176.82 1nvo h LYS 38 N 0.00 1.24 -0.85 1.92 3.64 -1.36 0.21 116.57 121.38 1nvo h LYS 38 Ca 0.43 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1nvo h LYS 38 Cb 0.67 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1nvo h LYS 38 CO -0.89 0.93 0.41 0.45 -2.27 0.00 0.00 179.45 178.07 1nvo h HIS 39 N 1.23 1.23 -0.26 1.91 3.86 -0.92 -2.00 115.15 120.20 1nvo h HIS 39 Ca 0.30 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.28 1nvo h HIS 39 Cb 0.08 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1nvo h HIS 39 CO 0.01 0.89 -0.49 0.82 0.86 0.00 0.00 177.93 180.02 1nvo h ILE 40 N 1.21 1.29 -1.01 2.45 5.03 -0.79 -3.02 117.51 122.67 1nvo h ILE 40 Ca 0.29 -1.69 0.26 0.00 -0.12 0.00 0.00 64.86 63.60 1nvo h ILE 40 Cb 0.12 1.70 -0.12 0.00 -3.03 0.00 0.00 36.82 35.48 1nvo h ILE 40 CO -0.04 0.54 0.60 -0.08 -0.68 0.00 0.00 178.15 178.50 1nvo h GLU 41 N 0.55 0.51 -0.82 2.37 4.81 -0.17 0.55 114.58 122.39 1nvo h GLU 41 Ca 0.01 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.39 1nvo h GLU 41 Cb 1.10 -0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.26 1nvo h GLU 41 CO 0.11 0.34 0.34 2.35 -0.73 0.00 0.00 179.01 181.42 1nvo h TRP 42 N 0.53 0.57 -0.17 0.92 7.01 -1.24 0.36 115.95 123.93 1nvo h TRP 42 Ca 0.65 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.64 1nvo h TRP 42 Cb 1.32 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1nvo h TRP 42 CO -0.01 0.02 -0.09 -0.07 -2.79 0.00 0.00 178.44 175.50 1nvo h LEU 43 N 0.44 0.38 -1.57 0.65 3.38 -1.06 0.33 115.31 117.85 1nvo h LEU 43 Ca 0.48 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nvo h LEU 43 Cb 0.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1nvo h LEU 43 CO -0.46 0.72 0.00 -0.62 0.09 0.00 0.00 178.44 178.17 1nvo n GLU 44 N -4.59 0.70 0.00 1.13 1.02 0.02 -3.39 120.64 115.53 1nvo n GLU 44 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1nvo n GLU 44 Cb 0.32 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.44 0.00 -3.95 2.62 5.66 -0.64 -4.96 114.28 113.44 1nvo n THR 45 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1nvo n THR 45 Cb 0.28 -0.17 -0.00 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.07 -3.55 -2.04 1.09 0.13 0.10 -4.71 119.36 108.31 1nvo n ILE 46 Ca 0.00 -0.67 -0.27 0.00 -1.10 0.00 0.00 62.75 60.71 1nvo n ILE 46 Cb 0.00 -2.85 -0.06 0.00 -0.84 0.00 0.00 39.64 35.90 1nvo n ILE 46 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1nvo s LEU 47 N -7.01 3.10 0.00 9.51 0.20 -1.26 -5.12 118.68 118.10 1nvo s LEU 47 Ca 0.27 -1.05 0.00 0.00 0.69 0.00 0.00 54.13 54.04 1nvo s LEU 47 Cb -0.12 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 1nvo s LEU 47 CO 0.92 -2.94 0.00 0.61 -0.29 0.00 0.00 176.35 174.65