#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 0.06 0.00 2.11 -0.00 -2.05 -2.79 116.97 114.30 1nvo h TYR 2 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1nvo h TYR 2 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.71 1nvo h TYR 2 CO 0.00 0.17 0.00 1.37 -0.00 0.00 0.00 178.16 179.70 1nvo h LEU 3 N -0.07 0.00 -0.92 0.10 8.10 -1.98 -2.39 115.31 118.15 1nvo h LEU 3 Ca 0.01 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.16 1nvo h LEU 3 Cb 0.13 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.26 1nvo h LEU 3 CO -0.00 0.00 0.52 0.03 -4.11 0.00 0.00 178.44 174.88 1nvo h ARG 4 N 0.00 0.70 -0.00 0.17 3.08 -1.92 0.16 114.38 116.57 1nvo h ARG 4 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1nvo h ARG 4 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1nvo h ARG 4 CO 0.00 0.46 -0.04 0.39 -1.07 0.00 0.00 179.97 179.71 1nvo n GLU 5 N -4.81 0.41 -0.19 0.04 1.02 -0.90 -1.45 120.64 114.77 1nvo n GLU 5 Ca 0.19 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1nvo n GLU 5 Cb 0.47 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.25 1.92 0.00 -4.62 4.77 0.05 -4.48 117.00 113.38 1nvo n LEU 6 Ca 0.13 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1nvo n LEU 6 Cb 0.26 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nvo n LEU 6 CO 0.24 0.65 -0.11 0.00 -1.33 0.00 0.00 177.39 176.85 1nvo n LEU 7 N -1.14 0.14 0.02 2.23 -0.00 0.36 -4.63 117.00 113.98 1nvo n LEU 7 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.01 1nvo n LEU 7 Cb 0.66 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 1nvo n LEU 7 CO 0.01 -0.28 0.57 0.50 -0.00 0.00 0.00 177.39 178.18 1nvo h LYS 8 N 0.00 -0.09 -0.53 1.47 3.64 -1.43 0.13 116.57 119.76 1nvo h LYS 8 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nvo h LYS 8 Cb 0.22 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1nvo h LYS 8 CO 0.00 0.40 0.33 -0.07 -2.27 0.00 0.00 179.45 177.84 1nvo h LEU 9 N -0.61 0.63 -1.01 5.20 3.38 -1.79 -2.41 115.31 118.71 1nvo h LEU 9 Ca -0.01 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.08 1nvo h LEU 9 Cb 0.52 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 1nvo h LEU 9 CO 0.01 0.49 0.62 -0.33 0.09 0.00 0.00 178.44 179.32 1nvo h GLU 10 N 0.71 0.83 -0.04 1.13 4.39 -1.75 -2.43 114.58 117.42 1nvo h GLU 10 Ca 0.19 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.88 1nvo h GLU 10 Cb -0.04 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.38 1nvo h GLU 10 CO -0.04 0.55 -0.28 1.25 -1.16 0.00 0.00 179.01 179.33 1nvo h LEU 11 N 0.85 -0.84 -2.06 1.33 5.85 -0.22 0.73 115.31 120.96 1nvo h LEU 11 Ca 0.55 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.44 1nvo h LEU 11 Cb 0.75 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1nvo h LEU 11 CO -0.34 -0.34 0.12 0.06 -0.34 0.00 0.00 178.44 177.61 1nvo h GLN 12 N -0.40 0.00 0.06 1.25 3.07 -1.46 -1.12 115.11 116.51 1nvo h GLN 12 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.81 1nvo h GLN 12 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1nvo h GLN 12 CO -0.27 0.00 -0.03 -0.07 0.09 0.00 0.00 178.83 178.55 1nvo h LEU 13 N 0.00 -0.07 -0.69 0.06 3.38 -0.80 0.30 115.31 117.49 1nvo h LEU 13 Ca 0.08 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.61 1nvo h LEU 13 Cb 0.32 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1nvo h LEU 13 CO -0.00 0.58 0.27 0.40 0.09 0.00 0.00 178.44 179.77 1nvo h ILE 14 N -0.76 0.71 0.28 1.22 1.08 -0.50 0.56 117.51 120.10 1nvo h ILE 14 Ca -0.01 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1nvo h ILE 14 Cb 0.62 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1nvo h ILE 14 CO 0.01 0.08 -0.14 0.50 -0.69 0.00 0.00 178.15 177.92 1nvo h LYS 15 N 0.43 -0.36 -0.31 2.37 1.63 -1.21 -2.88 116.57 116.24 1nvo h LYS 15 Ca 0.37 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.18 1nvo h LYS 15 Cb 0.51 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1nvo h LYS 15 CO -0.36 -0.23 0.14 1.96 -3.45 0.00 0.00 179.45 177.51 1nvo h GLN 16 N -0.39 0.42 -0.31 1.90 4.20 0.13 -0.84 115.11 120.21 1nvo h GLN 16 Ca -0.04 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1nvo h GLN 16 Cb 0.30 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1nvo h GLN 16 CO 0.06 0.33 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.47 1nvo h TYR 17 N 0.42 0.61 -0.20 2.96 5.03 0.13 0.28 116.97 126.20 1nvo h TYR 17 Ca 0.11 -0.11 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 1nvo h TYR 17 Cb 0.05 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1nvo h TYR 17 CO 0.00 0.69 -0.44 0.00 -1.32 0.00 0.00 178.16 177.10 1nvo h ARG 18 N 0.50 0.64 -0.89 1.82 3.08 -0.99 -0.90 114.38 117.64 1nvo h ARG 18 Ca 0.08 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1nvo h ARG 18 Cb 0.58 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 1nvo h ARG 18 CO 0.04 1.05 0.51 1.49 -1.07 0.00 0.00 179.97 181.98 1nvo h GLU 19 N 0.33 1.23 0.02 0.04 4.81 -0.65 -2.88 114.58 117.48 1nvo h GLU 19 Ca 0.00 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 58.89 1nvo h GLU 19 Cb 1.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1nvo h GLU 19 CO 0.10 0.88 -0.97 0.00 -0.73 0.00 0.00 179.01 178.29 1nvo h ALA 20 N 1.28 0.42 -0.95 2.92 0.00 -0.39 -3.25 119.26 119.28 1nvo h ALA 20 Ca 0.32 -0.82 0.22 0.00 0.00 0.00 0.00 54.91 54.63 1nvo h ALA 20 Cb -0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.50 1nvo h ALA 20 CO -0.05 1.07 -0.11 1.25 0.00 0.00 0.00 179.25 181.41 1nvo h LEU 21 N 0.04 -0.67 -0.75 0.00 5.85 -0.93 0.35 115.31 119.20 1nvo h LEU 21 Ca -0.04 0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 1nvo h LEU 21 Cb 1.66 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 43.21 1nvo h LEU 21 CO 0.14 -0.32 -0.56 1.05 -0.34 0.00 0.00 178.44 178.40 1nvo h GLU 22 N 0.01 0.19 0.03 1.25 4.11 -1.60 -1.05 114.58 117.52 1nvo h GLU 22 Ca 0.51 -0.12 -0.23 0.00 0.07 0.00 0.00 59.36 59.59 1nvo h GLU 22 Cb 0.92 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1nvo h GLU 22 CO -0.93 0.70 -1.12 1.88 0.07 0.00 0.00 179.01 179.60 1nvo h TYR 23 N 0.14 0.11 0.00 2.06 0.05 -0.99 -3.30 116.97 115.04 1nvo h TYR 23 Ca -0.00 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 1nvo h TYR 23 Cb 1.04 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 1nvo h TYR 23 CO 0.02 1.07 -0.90 0.28 -1.05 0.00 0.00 178.16 177.58 1nvo h VAL 24 N 0.02 0.33 -5.21 -2.88 2.07 -0.32 -3.49 116.25 106.76 1nvo h VAL 24 Ca -0.06 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 65.76 1nvo h VAL 24 Cb 1.84 1.92 0.11 0.00 -1.52 0.00 0.00 31.29 33.64 1nvo h VAL 24 CO 0.14 0.19 -0.47 0.29 0.02 0.00 0.00 177.57 177.73 1nvo n LYS 25 N -2.91 -1.72 -3.68 1.57 5.02 -0.41 -5.05 118.16 110.97 1nvo n LYS 25 Ca -0.02 1.04 -0.11 0.00 -2.02 0.00 0.00 58.31 57.20 1nvo n LYS 25 Cb 0.68 -5.45 -0.12 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 -4.65 -0.21 0.19 -0.35 2.96 -1.24 -5.04 118.68 110.35 1nvo s LEU 26 Ca 0.25 0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1nvo s LEU 26 Cb -0.03 1.06 0.11 0.00 0.50 0.00 0.00 46.19 47.82 1nvo s LEU 26 CO 0.68 -0.21 1.50 1.55 -1.32 0.00 0.00 176.35 178.55 1nvo h PRO 27 N 7.74 0.56 -1.22 0.98 0.13 -1.97 -2.61 132.00 135.62 1nvo h PRO 27 Ca -0.26 -0.36 0.35 0.00 -0.87 0.00 0.00 66.00 64.87 1nvo h PRO 27 Cb 1.14 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1nvo h PRO 27 CO 0.22 0.96 0.84 0.28 -0.23 0.00 0.00 178.00 180.07 1nvo h VAL 28 N 0.43 0.37 0.42 1.56 2.07 -1.98 -1.77 116.25 117.35 1nvo h VAL 28 Ca 0.01 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nvo h VAL 28 Cb 1.09 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1nvo h VAL 28 CO 0.10 0.03 -0.20 -0.07 0.02 0.00 0.00 177.57 177.45 1nvo h LEU 29 N 0.14 -0.47 -1.22 2.57 3.38 -1.86 0.61 115.31 118.46 1nvo h LEU 29 Ca 0.64 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.64 1nvo h LEU 29 Cb 2.18 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 43.00 1nvo h LEU 29 CO -0.16 -0.25 0.56 0.00 0.09 0.00 0.00 178.44 178.68 1nvo h ALA 30 N -0.13 1.58 -0.32 1.53 0.00 -1.49 0.15 119.26 120.58 1nvo h ALA 30 Ca -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1nvo h ALA 30 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nvo h ALA 30 CO 0.09 0.28 -0.33 0.87 0.00 0.00 0.00 179.25 180.16 1nvo h LYS 31 N 0.93 0.71 0.20 0.00 1.57 -0.83 -0.15 116.57 119.01 1nvo h LYS 31 Ca 0.37 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nvo h LYS 31 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1nvo h LYS 31 CO -0.14 0.94 -0.10 0.82 -0.57 0.00 0.00 179.45 180.41 1nvo h ILE 32 N 0.60 0.89 -0.69 1.86 2.04 0.93 -2.60 117.51 120.55 1nvo h ILE 32 Ca 0.06 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1nvo h ILE 32 Cb 0.85 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1nvo h ILE 32 CO 0.07 0.13 0.45 0.17 0.00 0.00 0.00 178.15 178.98 1nvo h LEU 33 N -0.58 0.79 0.29 1.44 8.10 -0.63 -1.73 115.31 122.99 1nvo h LEU 33 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 1nvo h LEU 33 Cb 0.43 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1nvo h LEU 33 CO 0.05 0.58 -0.14 -0.08 -4.11 0.00 0.00 178.44 174.73 1nvo h GLU 34 N 0.93 -0.37 -0.57 0.17 4.22 -0.95 0.20 114.58 118.21 1nvo h GLU 34 Ca 0.25 0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.82 1nvo h GLU 34 Cb -0.10 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 1nvo h GLU 34 CO -0.05 -0.22 0.12 0.22 -2.18 0.00 0.00 179.01 176.90 1nvo h ASP 35 N -0.42 0.02 -0.39 1.04 1.82 -1.00 -0.32 116.42 117.17 1nvo h ASP 35 Ca -0.04 0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1nvo h ASP 35 Cb 0.32 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 1nvo h ASP 35 CO 0.07 0.03 0.16 -0.33 -1.61 0.00 0.00 179.24 177.55 1nvo h GLU 36 N 0.26 0.32 -0.99 0.28 4.39 -0.96 -2.79 114.58 115.08 1nvo h GLU 36 Ca 0.29 -0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.28 1nvo h GLU 36 Cb 0.41 -0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 28.84 1nvo h GLU 36 CO -0.37 0.21 0.54 1.49 -1.16 0.00 0.00 179.01 179.72 1nvo h GLU 37 N 0.33 0.31 -0.35 2.33 4.22 0.12 0.53 114.58 122.07 1nvo h GLU 37 Ca 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.57 1nvo h GLU 37 Cb 0.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1nvo h GLU 37 CO -0.16 0.21 0.13 -0.22 -2.18 0.00 0.00 179.01 176.79 1nvo h LYS 38 N 0.32 0.53 -0.47 1.92 3.64 -1.30 0.37 116.57 121.58 1nvo h LYS 38 Ca 0.72 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 60.08 1nvo h LYS 38 Cb 1.61 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.28 1nvo h LYS 38 CO -0.61 0.53 0.06 0.45 -2.27 0.00 0.00 179.45 177.62 1nvo h HIS 39 N 0.42 0.09 -0.63 1.91 3.86 -0.04 -0.68 115.15 120.07 1nvo h HIS 39 Ca 0.12 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1nvo h HIS 39 Cb 0.21 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1nvo h HIS 39 CO 0.00 -0.04 0.25 0.82 0.86 0.00 0.00 177.93 179.82 1nvo h ILE 40 N 0.18 1.24 -0.80 2.45 5.03 -0.95 -2.30 117.51 122.36 1nvo h ILE 40 Ca 0.23 -0.75 0.11 0.00 -0.12 0.00 0.00 64.86 64.34 1nvo h ILE 40 Cb 0.32 0.54 -0.06 0.00 -3.03 0.00 0.00 36.82 34.59 1nvo h ILE 40 CO -0.34 0.29 0.52 -0.08 -0.68 0.00 0.00 178.15 177.87 1nvo h GLU 41 N 0.89 0.66 -0.96 2.37 4.81 0.59 0.99 114.58 123.93 1nvo h GLU 41 Ca 0.21 -0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.57 1nvo h GLU 41 Cb 0.21 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 1nvo h GLU 41 CO -0.02 0.44 0.56 2.35 -0.73 0.00 0.00 179.01 181.61 1nvo h TRP 42 N 0.68 0.98 -0.10 0.92 7.01 -0.55 0.12 115.95 125.01 1nvo h TRP 42 Ca 0.38 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.26 1nvo h TRP 42 Cb 0.53 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1nvo h TRP 42 CO -0.00 0.23 -0.53 -0.07 -2.79 0.00 0.00 178.44 175.28 1nvo h LEU 43 N 0.73 0.64 -2.21 0.65 4.07 -0.94 0.16 115.31 118.41 1nvo h LEU 43 Ca 0.54 -0.64 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1nvo h LEU 43 Cb 0.81 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 1nvo h LEU 43 CO -0.37 1.18 0.08 -0.62 -1.08 0.00 0.00 178.44 177.63 1nvo n GLU 44 N -4.21 1.18 0.00 1.13 1.02 -0.19 -4.05 120.64 115.53 1nvo n GLU 44 Ca -0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1nvo n GLU 44 Cb 0.61 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.27 0.00 -3.94 2.62 5.66 0.24 -4.93 114.28 114.20 1nvo n THR 45 Ca 0.08 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.69 1nvo n THR 45 Cb 0.64 -0.12 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 -2.14 -3.35 -2.66 1.09 0.13 0.56 -2.70 119.36 110.28 1nvo n ILE 46 Ca 0.00 -0.47 -0.07 0.00 -1.10 0.00 0.00 62.75 61.11 1nvo n ILE 46 Cb 0.00 -2.76 0.01 0.00 -0.84 0.00 0.00 39.64 36.04 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 -4.25 -7.09 0.00 9.51 0.00 -1.26 -5.11 117.00 108.79 1nvo n LEU 47 Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 56.01 56.30 1nvo n LEU 47 Cb 0.60 -3.06 0.00 0.00 0.00 0.00 0.00 43.42 40.96 1nvo n LEU 47 CO 0.71 -2.01 0.15 0.61 0.00 0.00 0.00 177.39 176.84