#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf9 s LEU 2 N 0.00 2.17 -0.61 0.00 1.43 -1.26 -5.10 118.68 115.31 1hf9 s LEU 2 Ca 0.00 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1hf9 s LEU 2 Cb 0.00 -0.82 0.16 0.00 0.03 0.00 0.00 46.19 45.56 1hf9 s LEU 2 CO 0.00 0.11 0.41 -0.54 0.23 0.00 0.00 176.35 176.56 1hf9 s LYS 3 N -1.16 2.08 0.06 1.70 1.02 -1.26 -4.90 119.74 117.28 1hf9 s LYS 3 Ca 0.05 -2.94 0.04 0.00 0.02 0.00 0.00 55.97 53.13 1hf9 s LYS 3 Cb -0.08 -3.07 -0.24 0.00 -0.52 0.00 0.00 37.83 33.91 1hf9 s LYS 3 CO 0.02 -1.25 1.06 0.87 -0.92 0.00 0.00 175.35 175.12 1hf9 h LYS 4 N 5.76 0.11 -0.86 1.68 1.57 -2.01 -3.30 116.57 119.50 1hf9 h LYS 4 Ca 0.10 -0.18 0.20 0.00 -1.87 0.00 0.00 60.65 58.90 1hf9 h LYS 4 Cb 0.81 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1hf9 h LYS 4 CO 0.65 0.98 0.58 1.12 -0.57 0.00 0.00 179.45 182.21 1hf9 h HIS 5 N 0.03 0.44 0.46 -1.35 2.07 -2.01 -1.56 115.15 113.24 1hf9 h HIS 5 Ca -0.13 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.38 1hf9 h HIS 5 Cb 1.90 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.75 1hf9 h HIS 5 CO 0.03 0.13 -0.22 0.45 -3.07 0.00 0.00 177.93 175.24 1hf9 h HIS 6 N 0.34 -0.58 -0.22 6.12 3.86 -1.99 -1.90 115.15 120.79 1hf9 h HIS 6 Ca 0.44 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.70 1hf9 h HIS 6 Cb 1.17 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 1hf9 h HIS 6 CO -0.00 -0.32 0.39 1.49 0.86 0.00 0.00 177.93 180.35 1hf9 h GLU 7 N -0.70 0.00 0.48 2.45 4.81 -1.46 0.12 114.58 120.27 1hf9 h GLU 7 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1hf9 h GLU 7 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1hf9 h GLU 7 CO 0.10 0.00 -0.23 -0.97 -0.73 0.00 0.00 179.01 177.19 1hf9 h ASN 8 N 0.00 -0.54 0.47 1.04 -1.24 -1.05 -0.45 115.58 113.81 1hf9 h ASN 8 Ca 0.11 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1hf9 h ASN 8 Cb 0.88 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1hf9 h ASN 8 CO -0.00 -0.14 0.00 -0.62 -1.29 0.00 0.00 177.43 175.38 1hf9 n GLU 9 N -5.08 0.03 -0.01 6.67 4.71 -0.78 -2.08 120.64 124.09 1hf9 n GLU 9 Ca -0.08 0.24 -0.09 0.00 -0.01 0.00 0.00 57.16 57.22 1hf9 n GLU 9 Cb 0.25 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.04 1hf9 n GLU 9 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1hf9 h ILE 10 N 0.00 0.93 0.00 -3.67 2.04 -0.73 -2.69 117.51 113.39 1hf9 h ILE 10 Ca 0.00 -2.77 -0.19 0.00 1.00 0.00 0.00 64.86 62.90 1hf9 h ILE 10 Cb 0.23 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1hf9 h ILE 10 CO 0.00 0.54 -0.91 0.77 0.00 0.00 0.00 178.15 178.55 1hf9 h SER 11 N 0.00 0.00 0.02 1.72 4.64 -0.50 -1.63 113.55 117.81 1hf9 h SER 11 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1hf9 h SER 11 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1hf9 h SER 11 CO 0.08 0.91 -0.16 -0.74 -0.87 0.00 0.00 176.83 176.05 1hf9 h HIS 12 N 0.00 0.13 0.00 4.77 -0.00 -1.57 -2.73 115.15 115.74 1hf9 h HIS 12 Ca -0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.23 1hf9 h HIS 12 Cb 1.68 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 29.07 1hf9 h HIS 12 CO 0.00 0.99 -0.20 0.45 -0.00 0.00 0.00 177.93 179.17 1hf9 h HIS 13 N -0.77 0.00 -0.02 5.26 -0.00 -1.58 -1.81 115.15 116.23 1hf9 h HIS 13 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1hf9 h HIS 13 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1hf9 h HIS 13 CO 0.23 0.20 -0.00 0.00 -0.00 0.00 0.00 177.93 178.36 1hf9 h ALA 14 N 1.80 0.03 0.00 2.45 0.00 -1.32 -1.51 119.26 120.71 1hf9 h ALA 14 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1hf9 h ALA 14 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hf9 h ALA 14 CO 0.03 -0.29 0.00 -0.22 0.00 0.00 0.00 179.25 178.77 1hf9 h LYS 15 N -0.29 0.00 0.13 0.00 3.64 -1.24 -2.15 116.57 116.67 1hf9 h LYS 15 Ca 0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1hf9 h LYS 15 Cb 0.36 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1hf9 h LYS 15 CO 0.00 0.00 -1.25 0.93 -2.27 0.00 0.00 179.45 176.86 1hf9 h GLU 16 N 0.00 0.51 0.00 1.90 4.39 -0.96 -1.42 114.58 119.00 1hf9 h GLU 16 Ca 0.00 -0.73 -0.15 0.00 0.34 0.00 0.00 59.36 58.82 1hf9 h GLU 16 Cb 0.40 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1hf9 h GLU 16 CO 0.00 1.33 -0.73 0.97 -1.16 0.00 0.00 179.01 179.42 1hf9 h ILE 17 N 0.21 1.32 0.11 3.13 -0.00 -1.02 -1.95 117.51 119.32 1hf9 h ILE 17 Ca -0.18 -2.69 -0.27 0.00 -0.00 0.00 0.00 64.86 61.72 1hf9 h ILE 17 Cb 1.93 2.54 -0.00 0.00 -0.00 0.00 0.00 36.82 41.29 1hf9 h ILE 17 CO 0.23 0.72 -1.25 -0.33 -0.00 0.00 0.00 178.15 177.51 1hf9 h GLU 18 N 0.00 0.24 -0.15 2.19 5.08 -1.47 -2.52 114.58 117.95 1hf9 h GLU 18 Ca -0.01 -0.41 -0.22 0.00 -1.00 0.00 0.00 59.36 57.72 1hf9 h GLU 18 Cb 1.48 0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1hf9 h GLU 18 CO 0.10 1.18 -0.78 0.00 -1.00 0.00 0.00 179.01 178.50 1hf9 h ARG 19 N 0.06 0.79 -0.55 2.33 2.47 -1.28 -2.61 114.38 115.60 1hf9 h ARG 19 Ca -0.13 -0.64 -0.10 0.00 -1.26 0.00 0.00 59.98 57.85 1hf9 h ARG 19 Cb 1.96 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 30.39 1hf9 h ARG 19 CO 0.19 1.25 -0.03 1.25 0.56 0.00 0.00 179.97 183.19 1hf9 h LEU 20 N 0.54 0.97 -0.76 3.04 7.12 -1.44 -2.63 115.31 122.15 1hf9 h LEU 20 Ca -0.05 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.64 1hf9 h LEU 20 Cb 1.41 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 1hf9 h LEU 20 CO 0.16 1.06 0.49 -0.61 -0.13 0.00 0.00 178.44 179.40 1hf9 h GLN 21 N 0.86 1.01 -0.94 1.25 4.15 -1.44 -2.14 115.11 117.85 1hf9 h GLN 21 Ca 0.15 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1hf9 h GLN 21 Cb 0.58 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1hf9 h GLN 21 CO 0.03 0.68 0.63 -0.22 -1.93 0.00 0.00 178.83 178.02 1hf9 h LYS 22 N 1.03 1.24 -0.19 1.69 3.64 -1.27 -2.02 116.57 120.69 1hf9 h LYS 22 Ca 0.27 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1hf9 h LYS 22 Cb -0.09 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.44 1hf9 h LYS 22 CO -0.06 0.82 0.11 0.93 -2.27 0.00 0.00 179.45 178.98 1hf9 h GLU 23 N 1.28 0.27 -0.67 1.90 5.08 -1.04 -2.33 114.58 119.07 1hf9 h GLU 23 Ca 0.35 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1hf9 h GLU 23 Cb -0.14 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1hf9 h GLU 23 CO -0.08 0.25 0.44 -0.84 -1.00 0.00 0.00 179.01 177.79 1hf9 h ILE 24 N 0.22 1.08 -0.62 3.13 -0.00 -1.07 -1.60 117.51 118.65 1hf9 h ILE 24 Ca 0.07 -0.27 0.01 0.00 -0.00 0.00 0.00 64.86 64.67 1hf9 h ILE 24 Cb 0.06 0.23 -0.03 0.00 -0.00 0.00 0.00 36.82 37.07 1hf9 h ILE 24 CO -0.01 0.14 0.40 -0.08 -0.00 0.00 0.00 178.15 178.60 1hf9 h GLU 25 N 0.79 0.79 -0.28 0.16 4.81 -0.85 -0.68 114.58 119.31 1hf9 h GLU 25 Ca 0.27 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1hf9 h GLU 25 Cb 0.09 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1hf9 h GLU 25 CO -0.08 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 178.73 1hf9 h ARG 26 N 0.81 0.09 0.00 1.92 3.08 -0.84 0.12 114.38 119.56 1hf9 h ARG 26 Ca 0.23 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1hf9 h ARG 26 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1hf9 h ARG 26 CO -0.07 0.06 -0.10 0.45 -1.07 0.00 0.00 179.97 179.24 1hf9 h HIS 27 N 0.09 0.00 0.00 3.04 3.86 -1.20 -1.12 115.15 119.82 1hf9 h HIS 27 Ca 0.13 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1hf9 h HIS 27 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1hf9 h HIS 27 CO -0.21 0.10 -0.44 -0.22 0.86 0.00 0.00 177.93 178.02 1hf9 h LYS 28 N 0.00 0.00 -0.01 2.45 3.64 0.69 -2.66 116.57 120.68 1hf9 h LYS 28 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1hf9 h LYS 28 Cb 0.25 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1hf9 h LYS 28 CO 0.01 0.44 -1.02 0.37 -2.27 0.00 0.00 179.45 176.99 1hf9 h GLN 29 N 0.00 0.71 -0.37 1.90 4.15 0.26 -1.62 115.11 120.14 1hf9 h GLN 29 Ca -0.00 -0.75 -0.12 0.00 0.77 0.00 0.00 58.65 58.55 1hf9 h GLN 29 Cb 1.17 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 1hf9 h GLN 29 CO 0.06 1.32 -0.23 0.77 -1.93 0.00 0.00 178.83 178.82 1hf9 h SER 30 N 0.40 0.85 0.86 -0.69 0.02 -1.50 -1.65 113.55 111.84 1hf9 h SER 30 Ca -0.12 -0.42 -0.09 0.00 -0.84 0.00 0.00 61.79 60.32 1hf9 h SER 30 Cb 1.67 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1hf9 h SER 30 CO 0.20 1.09 -0.41 -0.29 -1.14 0.00 0.00 176.83 176.29 1hf9 h ILE 31 N 0.61 0.93 0.00 3.27 6.09 -1.54 -2.41 117.51 124.47 1hf9 h ILE 31 Ca 0.08 -1.62 -0.21 0.00 -1.37 0.00 0.00 64.86 61.74 1hf9 h ILE 31 Cb 0.79 1.98 -0.00 0.00 0.47 0.00 0.00 36.82 40.06 1hf9 h ILE 31 CO 0.06 0.40 -0.91 0.11 -3.07 0.00 0.00 178.15 174.74 1hf9 h LYS 32 N 0.00 0.31 -0.05 2.19 1.79 -1.12 -2.60 116.57 117.08 1hf9 h LYS 32 Ca -0.00 -0.34 -0.17 0.00 -2.18 0.00 0.00 60.65 57.96 1hf9 h LYS 32 Cb 0.94 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1hf9 h LYS 32 CO 0.05 1.03 -0.70 -0.22 -1.08 0.00 0.00 179.45 178.54 1hf9 h LYS 33 N 0.17 0.26 -0.33 3.15 3.11 -1.17 -2.07 116.57 119.69 1hf9 h LYS 33 Ca -0.06 -0.21 -0.12 0.00 -2.81 0.00 0.00 60.65 57.45 1hf9 h LYS 33 Cb 1.54 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.81 1hf9 h LYS 33 CO 0.15 0.85 -0.27 1.25 -2.81 0.00 0.00 179.45 178.63 1hf9 h LEU 34 N 0.18 0.81 -0.94 5.20 7.12 -1.43 -1.95 115.31 124.30 1hf9 h LEU 34 Ca -0.02 -0.45 -0.11 0.00 0.13 0.00 0.00 57.88 57.43 1hf9 h LEU 34 Cb 1.24 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1hf9 h LEU 34 CO 0.11 1.09 -0.51 0.50 -0.13 0.00 0.00 178.44 179.50 1hf9 h LYS 35 N 0.54 0.00 0.00 1.25 3.64 -1.45 -2.88 116.57 117.67 1hf9 h LYS 35 Ca 0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1hf9 h LYS 35 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1hf9 h LYS 35 CO 0.07 0.51 -0.68 1.96 -2.27 0.00 0.00 179.45 179.04 1hf9 h GLN 36 N 0.00 0.00 0.00 1.90 4.20 -1.25 -3.11 115.11 116.85 1hf9 h GLN 36 Ca -0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1hf9 h GLN 36 Cb 0.94 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1hf9 h GLN 36 CO 0.07 0.68 -0.57 0.77 -0.67 0.00 0.00 178.83 179.10 1hf9 h SER 37 N 0.00 0.00 0.32 1.46 0.02 -1.14 -2.94 113.55 111.27 1hf9 h SER 37 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1hf9 h SER 37 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1hf9 h SER 37 CO 0.09 0.57 -0.42 -0.08 -1.14 0.00 0.00 176.83 175.85 1hf9 h GLU 38 N 0.00 0.13 -0.06 3.45 4.81 -1.46 -3.14 114.58 118.31 1hf9 h GLU 38 Ca -0.01 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1hf9 h GLU 38 Cb 1.07 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1hf9 h GLU 38 CO 0.07 0.54 -0.39 0.22 -0.73 0.00 0.00 179.01 178.72 1hf9 h ASP 39 N 0.11 0.44 -5.00 1.04 1.82 -1.56 -3.47 116.42 109.81 1hf9 h ASP 39 Ca 0.01 -0.68 -0.13 0.00 -0.39 0.00 0.00 57.03 55.84 1hf9 h ASP 39 Cb 0.80 -0.13 -0.20 0.00 0.68 0.00 0.00 39.33 40.48 1hf9 h ASP 39 CO 0.06 1.05 -0.42 1.51 -1.61 0.00 0.00 179.24 179.83 1hf9 s ASP 40 N -6.49 -0.03 0.00 2.28 1.47 -1.12 -5.15 116.67 107.63 1hf9 s ASP 40 Ca -0.14 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.43 1hf9 s ASP 40 Cb 0.04 0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.86 1hf9 s ASP 40 CO 0.79 -0.42 0.00 -0.90 0.68 0.00 0.00 175.17 175.32