#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 0.05 -2.05 -3.41 116.97 110.90 1nvo h TYR 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvo h TYR 2 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1nvo h TYR 2 CO 0.00 0.49 0.00 1.28 -1.05 0.00 0.00 178.16 178.88 1nvo n LEU 3 N -4.63 0.53 -0.35 3.88 4.32 -1.26 -1.40 117.00 118.08 1nvo n LEU 3 Ca -0.10 0.71 0.15 0.00 -0.02 0.00 0.00 56.01 56.75 1nvo n LEU 3 Cb 0.30 -0.73 0.36 0.00 -1.62 0.00 0.00 43.42 41.73 1nvo n LEU 3 CO 0.14 -0.80 1.18 0.08 -1.22 0.00 0.00 177.39 176.76 1nvo h ARG 4 N 0.00 0.65 -0.05 3.23 0.11 -2.02 0.16 114.38 116.46 1nvo h ARG 4 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1nvo h ARG 4 Cb 0.10 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1nvo h ARG 4 CO 0.00 0.43 0.00 0.39 0.10 0.00 0.00 179.97 180.89 1nvo n GLU 5 N -4.83 1.22 -2.29 0.08 1.02 -0.49 -2.92 120.64 112.43 1nvo n GLU 5 Ca 0.25 -0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1nvo n GLU 5 Cb 0.67 -1.31 0.03 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.45 3.83 0.07 -4.62 4.77 0.56 -4.70 117.00 116.47 1nvo n LEU 6 Ca 0.14 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.94 1nvo n LEU 6 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nvo n LEU 6 CO 0.11 1.76 0.00 0.00 -1.33 0.00 0.00 177.39 177.92 1nvo n LEU 7 N -0.67 -1.26 -0.04 2.23 -0.00 -1.17 -4.76 117.00 111.32 1nvo n LEU 7 Ca 0.32 0.28 -0.12 0.00 -0.00 0.00 0.00 56.01 56.48 1nvo n LEU 7 Cb 0.91 1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 45.77 1nvo n LEU 7 CO 0.29 -0.24 0.71 0.50 -0.00 0.00 0.00 177.39 178.65 1nvo h LYS 8 N 0.00 0.20 -0.51 1.47 3.64 -1.81 0.18 116.57 119.74 1nvo h LYS 8 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1nvo h LYS 8 Cb 0.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1nvo h LYS 8 CO 0.00 0.50 0.32 -0.07 -2.27 0.00 0.00 179.45 177.93 1nvo h LEU 9 N -0.11 0.59 -0.59 5.20 3.38 -1.84 -2.65 115.31 119.29 1nvo h LEU 9 Ca 0.03 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1nvo h LEU 9 Cb 0.42 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1nvo h LEU 9 CO 0.01 0.45 0.26 -0.33 0.09 0.00 0.00 178.44 178.92 1nvo h GLU 10 N 0.68 0.46 -0.84 1.13 4.39 -1.71 -1.14 114.58 117.55 1nvo h GLU 10 Ca 0.18 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1nvo h GLU 10 Cb -0.05 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 1nvo h GLU 10 CO -0.04 0.31 0.55 1.25 -1.16 0.00 0.00 179.01 179.92 1nvo h LEU 11 N 0.48 0.93 -1.97 1.33 7.12 -0.36 0.10 115.31 122.93 1nvo h LEU 11 Ca 0.28 -0.01 0.22 0.00 0.13 0.00 0.00 57.88 58.50 1nvo h LEU 11 Cb 0.29 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 1nvo h LEU 11 CO -0.25 0.65 0.58 -0.61 -0.13 0.00 0.00 178.44 178.69 1nvo h GLN 12 N 1.09 0.00 0.47 1.25 4.15 -0.87 0.15 115.11 121.34 1nvo h GLN 12 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 1nvo h GLN 12 Cb -0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1nvo h GLN 12 CO -0.10 0.00 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.51 1nvo h LEU 13 N 0.00 -0.53 -1.33 -2.39 3.38 -0.79 0.19 115.31 113.83 1nvo h LEU 13 Ca 0.35 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.44 1nvo h LEU 13 Cb 1.52 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1nvo h LEU 13 CO -0.00 -0.18 0.53 0.40 0.09 0.00 0.00 178.44 179.27 1nvo h ILE 14 N -1.02 0.95 0.64 1.22 5.03 -1.34 0.31 117.51 123.30 1nvo h ILE 14 Ca -0.06 -0.25 -0.03 0.00 -0.12 0.00 0.00 64.86 64.39 1nvo h ILE 14 Cb 0.48 0.14 0.01 0.00 -3.03 0.00 0.00 36.82 34.42 1nvo h ILE 14 CO 0.10 0.14 -0.31 0.50 -0.68 0.00 0.00 178.15 177.90 1nvo h LYS 15 N 0.74 -0.83 -0.02 2.37 1.63 -0.71 -2.66 116.57 117.09 1nvo h LYS 15 Ca 0.37 0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 60.15 1nvo h LYS 15 Cb 0.45 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1nvo h LYS 15 CO -0.14 -0.52 -0.36 -0.56 -3.45 0.00 0.00 179.45 174.42 1nvo h GLN 16 N -0.94 0.05 -0.81 1.90 3.07 0.36 -1.01 115.11 117.72 1nvo h GLN 16 Ca -0.09 -0.02 0.06 0.00 0.09 0.00 0.00 58.65 58.69 1nvo h GLN 16 Cb 0.68 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.19 1nvo h GLN 16 CO 0.14 0.40 0.53 1.88 0.09 0.00 0.00 178.83 181.87 1nvo h TYR 17 N 0.04 0.90 -0.05 0.06 0.05 -0.39 0.17 116.97 117.76 1nvo h TYR 17 Ca 0.00 0.02 -0.21 0.00 0.05 0.00 0.00 58.73 58.59 1nvo h TYR 17 Cb 0.65 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1nvo h TYR 17 CO 0.00 0.48 -0.85 0.00 -1.05 0.00 0.00 178.16 176.74 1nvo h ARG 18 N 0.90 0.49 0.51 4.88 3.08 -0.82 0.90 114.38 124.31 1nvo h ARG 18 Ca 0.34 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1nvo h ARG 18 Cb 0.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1nvo h ARG 18 CO -0.12 1.10 -0.24 1.49 -1.07 0.00 0.00 179.97 181.13 1nvo h GLU 19 N 0.30 -0.66 -0.00 0.04 4.81 -1.08 -3.27 114.58 114.73 1nvo h GLU 19 Ca -0.06 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1nvo h GLU 19 Cb 1.47 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 1nvo h GLU 19 CO 0.15 -0.43 -0.59 0.00 -0.73 0.00 0.00 179.01 177.41 1nvo h ALA 20 N -0.21 1.01 -0.98 2.92 0.00 -0.54 -2.96 119.26 118.51 1nvo h ALA 20 Ca -0.07 -0.54 0.18 0.00 0.00 0.00 0.00 54.91 54.48 1nvo h ALA 20 Cb 0.53 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.05 1nvo h ALA 20 CO 0.11 0.74 -0.29 1.25 0.00 0.00 0.00 179.25 181.06 1nvo h LEU 21 N 0.01 -1.08 -0.19 0.00 5.85 -0.86 0.20 115.31 119.24 1nvo h LEU 21 Ca -0.01 0.30 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 1nvo h LEU 21 Cb 1.05 0.65 0.01 0.00 0.37 0.00 0.00 40.66 42.74 1nvo h LEU 21 CO 0.08 -0.31 -0.59 -0.33 -0.34 0.00 0.00 178.44 176.94 1nvo h GLU 22 N -0.00 0.74 -0.28 1.25 5.08 -1.63 0.18 114.58 119.92 1nvo h GLU 22 Ca 0.43 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1nvo h GLU 22 Cb 0.68 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1nvo h GLU 22 CO -1.00 1.16 0.08 1.88 -1.00 0.00 0.00 179.01 180.14 1nvo h TYR 23 N 0.45 0.39 0.05 4.33 0.05 -1.34 -3.08 116.97 117.81 1nvo h TYR 23 Ca -0.02 -0.01 -0.29 0.00 0.05 0.00 0.00 58.73 58.46 1nvo h TYR 23 Cb 1.22 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 1nvo h TYR 23 CO 0.09 0.33 -1.53 0.28 -1.05 0.00 0.00 178.16 176.28 1nvo h VAL 24 N 0.39 1.10 -5.93 -2.88 2.07 -0.42 -3.49 116.25 107.09 1nvo h VAL 24 Ca 0.10 -2.85 -0.34 0.00 0.82 0.00 0.00 66.70 64.43 1nvo h VAL 24 Cb 0.13 2.62 0.11 0.00 -1.52 0.00 0.00 31.29 32.63 1nvo h VAL 24 CO -0.01 0.72 -0.84 0.29 0.02 0.00 0.00 177.57 177.75 1nvo n LYS 25 N -3.27 -1.56 -3.67 1.57 4.76 0.63 -5.04 118.16 111.57 1nvo n LYS 25 Ca -0.15 0.69 -0.15 0.00 -2.87 0.00 0.00 58.31 55.83 1nvo n LYS 25 Cb 1.03 -4.73 -0.14 0.00 -1.84 0.00 0.00 35.03 29.34 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1nvo s LEU 26 N -5.86 -0.13 0.00 -0.35 2.96 -1.25 -5.03 118.68 109.02 1nvo s LEU 26 Ca 0.42 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1nvo s LEU 26 Cb -0.11 0.54 0.00 0.00 0.50 0.00 0.00 46.19 47.12 1nvo s LEU 26 CO 0.81 -0.23 1.55 -0.81 -1.32 0.00 0.00 176.35 176.35 1nvo n PRO 27 N 5.21 0.80 -0.08 0.98 -0.04 -1.26 -2.68 135.00 137.93 1nvo n PRO 27 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 1nvo n PRO 27 Cb 0.50 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1nvo n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nvo n VAL 28 N 1.53 0.91 -0.21 0.52 0.31 -1.26 -4.26 118.33 115.87 1nvo n VAL 28 Ca 0.00 -0.30 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1nvo n VAL 28 Cb 0.40 -1.33 0.08 0.00 -0.91 0.00 0.00 33.84 32.08 1nvo n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1nvo h LEU 29 N -0.25 0.48 -2.12 7.52 4.07 -1.91 0.41 115.31 123.51 1nvo h LEU 29 Ca -0.38 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 1nvo h LEU 29 Cb 1.47 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 43.15 1nvo h LEU 29 CO -0.14 0.32 -0.04 0.00 -1.08 0.00 0.00 178.44 177.49 1nvo h ALA 30 N 1.33 1.67 0.20 1.53 0.00 -1.81 0.19 119.26 122.37 1nvo h ALA 30 Ca 0.28 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.85 1nvo h ALA 30 Cb 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1nvo h ALA 30 CO -0.18 0.06 -1.38 -0.22 0.00 0.00 0.00 179.25 177.53 1nvo h LYS 31 N 0.00 0.43 -0.30 0.00 3.64 -0.96 -3.16 116.57 116.21 1nvo h LYS 31 Ca -0.00 -0.73 -0.01 0.00 -1.27 0.00 0.00 60.65 58.64 1nvo h LYS 31 Cb 0.09 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1nvo h LYS 31 CO 0.01 1.35 0.15 0.82 -2.27 0.00 0.00 179.45 179.51 1nvo h ILE 32 N -0.03 1.14 -0.58 2.00 2.04 0.33 -1.80 117.51 120.60 1nvo h ILE 32 Ca -0.25 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1nvo h ILE 32 Cb 1.99 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1nvo h ILE 32 CO 0.20 0.14 0.22 0.17 0.00 0.00 0.00 178.15 178.89 1nvo h LEU 33 N 0.35 0.78 0.50 1.44 8.10 -0.77 -1.27 115.31 124.43 1nvo h LEU 33 Ca 0.10 -0.11 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1nvo h LEU 33 Cb 0.09 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.11 1nvo h LEU 33 CO -0.01 0.71 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.71 1nvo h GLU 34 N 0.84 -0.64 0.10 0.17 4.22 -1.43 -0.53 114.58 117.31 1nvo h GLU 34 Ca 0.20 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.70 1nvo h GLU 34 Cb 0.18 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1nvo h GLU 34 CO -0.02 -0.42 -0.29 0.22 -2.18 0.00 0.00 179.01 176.32 1nvo h ASP 35 N -0.68 -0.84 -0.80 1.04 3.58 -0.72 -1.49 116.42 116.51 1nvo h ASP 35 Ca -0.07 0.10 0.18 0.00 0.42 0.00 0.00 57.03 57.66 1nvo h ASP 35 Cb 0.52 0.32 -0.11 0.00 1.72 0.00 0.00 39.33 41.78 1nvo h ASP 35 CO 0.11 -0.38 0.28 -0.33 -2.88 0.00 0.00 179.24 176.04 1nvo h GLU 36 N -0.50 0.34 -0.58 0.28 4.39 -1.18 -0.23 114.58 117.11 1nvo h GLU 36 Ca 0.04 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1nvo h GLU 36 Cb 0.54 -0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.00 1nvo h GLU 36 CO -0.19 0.23 -0.12 1.49 -1.16 0.00 0.00 179.01 179.26 1nvo h GLU 37 N 0.35 0.01 -0.29 2.33 4.22 -0.02 0.49 114.58 121.67 1nvo h GLU 37 Ca 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 1nvo h GLU 37 Cb 0.82 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1nvo h GLU 37 CO -0.50 0.01 0.11 -0.22 -2.18 0.00 0.00 179.01 176.23 1nvo h LYS 38 N 0.01 0.44 -0.82 1.92 3.64 -0.76 0.51 116.57 121.51 1nvo h LYS 38 Ca 0.28 -0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.75 1nvo h LYS 38 Cb 0.44 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.08 1nvo h LYS 38 CO -0.59 0.47 0.35 0.45 -2.27 0.00 0.00 179.45 177.87 1nvo h HIS 39 N 0.31 0.60 0.09 1.91 3.86 -0.79 -2.06 115.15 119.06 1nvo h HIS 39 Ca 0.09 0.04 -0.26 0.00 -1.16 0.00 0.00 60.37 59.08 1nvo h HIS 39 Cb 0.20 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1nvo h HIS 39 CO -0.00 0.05 -1.22 0.82 0.86 0.00 0.00 177.93 178.44 1nvo h ILE 40 N 0.46 1.51 -0.91 2.45 2.04 -0.53 -3.23 117.51 119.30 1nvo h ILE 40 Ca 0.47 -3.13 0.17 0.00 1.00 0.00 0.00 64.86 63.37 1nvo h ILE 40 Cb 0.78 2.89 -0.10 0.00 -0.74 0.00 0.00 36.82 39.64 1nvo h ILE 40 CO -0.44 0.90 0.49 -0.08 0.00 0.00 0.00 178.15 179.02 1nvo h GLU 41 N 0.05 0.62 -0.88 2.37 4.81 0.72 0.32 114.58 122.58 1nvo h GLU 41 Ca -0.11 -0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.27 1nvo h GLU 41 Cb 1.92 -0.14 -0.17 0.00 0.63 0.00 0.00 28.75 31.00 1nvo h GLU 41 CO 0.18 0.41 -0.13 2.35 -0.73 0.00 0.00 179.01 181.08 1nvo h TRP 42 N 0.64 -0.32 0.07 0.92 7.01 -1.49 0.37 115.95 123.15 1nvo h TRP 42 Ca 0.52 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.59 1nvo h TRP 42 Cb 0.80 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 1nvo h TRP 42 CO -0.07 -0.37 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.11 1nvo h LEU 43 N 0.02 -0.07 -2.06 0.65 3.38 -1.17 0.11 115.31 116.17 1nvo h LEU 43 Ca 0.46 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nvo h LEU 43 Cb 0.77 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1nvo h LEU 43 CO -0.87 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 177.49 1nvo n GLU 44 N -4.88 0.83 0.00 1.13 1.02 -0.15 -3.42 120.64 115.17 1nvo n GLU 44 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1nvo n GLU 44 Cb 0.27 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.64 0.00 -4.21 2.62 5.66 -0.06 -4.92 114.28 114.00 1nvo n THR 45 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1nvo n THR 45 Cb 0.41 -0.06 -0.05 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.92 -1.51 -2.78 1.09 0.13 0.40 -4.83 119.36 109.92 1nvo n ILE 46 Ca 0.00 -0.28 -0.43 0.00 -1.10 0.00 0.00 62.75 60.94 1nvo n ILE 46 Cb 0.00 -1.65 -0.03 0.00 -0.84 0.00 0.00 39.64 37.12 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 -7.20 4.27 0.00 9.51 0.20 -1.26 -5.11 118.68 119.08 1nvo s LEU 47 Ca 0.34 -1.32 0.00 0.00 0.69 0.00 0.00 54.13 53.84 1nvo s LEU 47 Cb -0.19 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.11 1nvo s LEU 47 CO 0.95 -1.39 0.16 0.61 -0.29 0.00 0.00 176.35 176.38