#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 -0.83 -0.26 0.00 1.02 -1.26 -4.91 118.68 112.45 1hf9 s LEU 2 Ca 0.00 0.69 0.07 0.00 0.02 0.00 0.00 54.13 54.91 1hf9 s LEU 2 Cb 0.00 -2.13 0.57 0.00 0.02 0.00 0.00 46.19 44.65 1hf9 s LEU 2 CO 0.00 -5.20 1.57 0.29 0.02 0.00 0.00 176.35 173.03 1hf9 n LYS 3 N -5.50 2.97 0.08 1.70 4.01 -1.26 -4.23 118.16 115.94 1hf9 n LYS 3 Ca 0.14 -2.33 -0.14 0.00 -0.51 0.00 0.00 58.31 55.47 1hf9 n LYS 3 Cb 0.61 -1.99 -0.14 0.00 -0.51 0.00 0.00 35.03 33.00 1hf9 n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1hf9 h LYS 4 N 1.91 0.21 -0.41 1.97 3.11 -2.03 -3.27 116.57 118.06 1hf9 h LYS 4 Ca 0.24 -0.35 0.12 0.00 -2.81 0.00 0.00 60.65 57.84 1hf9 h LYS 4 Cb 2.02 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 33.36 1hf9 h LYS 4 CO 0.60 1.13 0.53 1.12 -2.81 0.00 0.00 179.45 180.02 1hf9 h HIS 5 N 0.06 0.00 -0.13 1.91 2.07 -1.97 0.19 115.15 117.27 1hf9 h HIS 5 Ca -0.14 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.37 1hf9 h HIS 5 Cb 1.95 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.92 1hf9 h HIS 5 CO 0.05 0.00 0.02 0.45 -3.07 0.00 0.00 177.93 175.38 1hf9 h HIS 6 N 0.00 0.23 -0.23 6.12 3.86 -1.89 -2.46 115.15 120.78 1hf9 h HIS 6 Ca 0.20 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 1hf9 h HIS 6 Cb 1.25 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 1hf9 h HIS 6 CO 0.00 0.39 0.23 1.49 0.86 0.00 0.00 177.93 180.90 1hf9 h GLU 7 N -0.00 0.00 0.42 2.45 4.81 -1.15 -1.05 114.58 120.05 1hf9 h GLU 7 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1hf9 h GLU 7 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1hf9 h GLU 7 CO 0.00 0.00 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.17 1hf9 h ASN 8 N 0.00 -0.48 -0.05 1.04 4.21 -1.42 -2.67 115.58 116.21 1hf9 h ASN 8 Ca 0.11 -0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.60 1hf9 h ASN 8 Cb 0.56 0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1hf9 h ASN 8 CO -0.00 -0.04 0.18 -0.33 -1.29 0.00 0.00 177.43 175.94 1hf9 h GLU 9 N -1.11 0.00 0.07 0.81 5.08 -1.12 -1.50 114.58 116.81 1hf9 h GLU 9 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1hf9 h GLU 9 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hf9 h GLU 9 CO 0.09 0.00 -0.04 0.97 -1.00 0.00 0.00 179.01 179.04 1hf9 h ILE 10 N 0.00 1.20 0.00 3.13 2.10 -1.11 -1.88 117.51 120.95 1hf9 h ILE 10 Ca 0.02 -1.12 -0.01 0.00 1.08 0.00 0.00 64.86 64.83 1hf9 h ILE 10 Cb 0.38 1.91 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 1hf9 h ILE 10 CO -0.00 0.27 -0.06 0.77 -1.08 0.00 0.00 178.15 178.05 1hf9 h SER 11 N -0.62 0.00 0.30 2.19 4.64 -0.94 -2.23 113.55 116.88 1hf9 h SER 11 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 1hf9 h SER 11 Cb 0.52 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.64 1hf9 h SER 11 CO 0.02 0.06 -1.49 -0.74 -0.87 0.00 0.00 176.83 173.81 1hf9 h HIS 12 N 0.00 0.91 0.00 4.77 -0.00 -1.36 -2.75 115.15 116.72 1hf9 h HIS 12 Ca -0.00 -0.67 -0.05 0.00 -0.00 0.00 0.00 60.37 59.65 1hf9 h HIS 12 Cb 0.37 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1hf9 h HIS 12 CO 0.00 1.55 -0.24 0.45 -0.00 0.00 0.00 177.93 179.69 1hf9 h HIS 13 N 0.14 0.00 0.04 5.26 3.86 -1.03 0.99 115.15 124.40 1hf9 h HIS 13 Ca -0.25 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1hf9 h HIS 13 Cb 2.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.62 1hf9 h HIS 13 CO 0.12 0.24 -0.02 0.00 0.86 0.00 0.00 177.93 179.13 1hf9 h ALA 14 N 1.76 -0.05 0.00 2.45 0.00 -1.45 -1.16 119.26 120.80 1hf9 h ALA 14 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hf9 h ALA 14 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1hf9 h ALA 14 CO 0.03 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.77 1hf9 n LYS 15 N -4.77 0.22 0.02 0.00 5.02 -1.04 -2.14 118.16 115.47 1hf9 n LYS 15 Ca -0.08 0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 56.41 1hf9 n LYS 15 Cb 0.33 -1.83 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1hf9 n LYS 15 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1hf9 h GLU 16 N 0.00 0.12 0.06 1.97 4.57 -0.81 -1.91 114.58 118.59 1hf9 h GLU 16 Ca 0.00 -0.21 -0.25 0.00 -1.18 0.00 0.00 59.36 57.72 1hf9 h GLU 16 Cb 0.52 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1hf9 h GLU 16 CO 0.00 0.87 -1.08 0.97 -1.18 0.00 0.00 179.01 178.59 1hf9 h ILE 17 N 0.03 1.43 0.16 2.32 -0.00 -1.07 -0.33 117.51 120.05 1hf9 h ILE 17 Ca -0.26 -2.69 -0.31 0.00 -0.00 0.00 0.00 64.86 61.60 1hf9 h ILE 17 Cb 1.99 2.65 0.03 0.00 -0.00 0.00 0.00 36.82 41.49 1hf9 h ILE 17 CO 0.11 0.80 -1.31 -0.08 -0.00 0.00 0.00 178.15 177.67 1hf9 h GLU 18 N 0.17 0.55 0.00 2.19 4.22 -1.57 -2.64 114.58 117.49 1hf9 h GLU 18 Ca -0.11 -0.80 -0.11 0.00 0.08 0.00 0.00 59.36 58.42 1hf9 h GLU 18 Cb 1.76 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1hf9 h GLU 18 CO 0.18 1.37 -0.50 -0.09 -2.18 0.00 0.00 179.01 177.79 1hf9 h ARG 19 N 0.21 0.00 -0.16 1.92 9.65 -1.42 -2.78 114.38 121.81 1hf9 h ARG 19 Ca -0.20 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.49 1hf9 h ARG 19 Cb 1.99 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.58 1hf9 h ARG 19 CO 0.24 0.50 -0.66 -0.07 2.80 0.00 0.00 179.97 182.79 1hf9 h LEU 20 N 0.00 0.85 -0.31 3.80 3.38 -1.09 -2.20 115.31 119.75 1hf9 h LEU 20 Ca -0.01 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 1hf9 h LEU 20 Cb 1.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1hf9 h LEU 20 CO 0.07 1.33 0.18 -0.61 0.09 0.00 0.00 178.44 179.49 1hf9 h GLN 21 N 0.42 0.42 -0.24 1.13 4.15 -1.41 -1.52 115.11 118.08 1hf9 h GLN 21 Ca -0.04 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 1hf9 h GLN 21 Cb 1.29 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1hf9 h GLN 21 CO 0.14 0.34 -0.06 0.87 -1.93 0.00 0.00 178.83 178.19 1hf9 h LYS 22 N 0.39 0.36 -0.25 1.69 1.79 -1.52 -2.33 116.57 116.70 1hf9 h LYS 22 Ca 0.11 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1hf9 h LYS 22 Cb 0.03 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1hf9 h LYS 22 CO -0.02 0.44 -0.30 0.93 -1.08 0.00 0.00 179.45 179.42 1hf9 h GLU 23 N 0.35 0.51 -0.48 3.15 4.39 -0.82 -2.66 114.58 119.03 1hf9 h GLU 23 Ca 0.07 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1hf9 h GLU 23 Cb 0.33 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1hf9 h GLU 23 CO 0.01 0.76 -0.07 -0.84 -1.16 0.00 0.00 179.01 177.71 1hf9 h ILE 24 N 0.44 1.27 -0.58 3.13 -0.00 -0.76 -2.77 117.51 118.25 1hf9 h ILE 24 Ca 0.06 -1.18 0.02 0.00 -0.00 0.00 0.00 64.86 63.75 1hf9 h ILE 24 Cb 0.75 1.06 -0.03 0.00 -0.00 0.00 0.00 36.82 38.59 1hf9 h ILE 24 CO 0.06 0.41 0.37 -0.08 -0.00 0.00 0.00 178.15 178.90 1hf9 h GLU 25 N 0.74 0.71 -0.26 0.16 4.81 -1.32 -0.38 114.58 119.05 1hf9 h GLU 25 Ca 0.13 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1hf9 h GLU 25 Cb 0.61 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1hf9 h GLU 25 CO 0.04 0.47 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.69 1hf9 h ARG 26 N 0.73 0.06 0.00 1.92 9.65 -1.34 0.59 114.38 126.00 1hf9 h ARG 26 Ca 0.23 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 1hf9 h ARG 26 Cb -0.02 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1hf9 h ARG 26 CO -0.08 0.04 -0.09 0.45 2.80 0.00 0.00 179.97 183.09 1hf9 h HIS 27 N 0.07 0.00 -0.04 2.20 3.86 -1.17 -1.97 115.15 118.09 1hf9 h HIS 27 Ca 0.12 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 1hf9 h HIS 27 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1hf9 h HIS 27 CO -0.21 0.09 -0.70 -0.22 0.86 0.00 0.00 177.93 177.75 1hf9 h LYS 28 N 0.00 0.21 0.01 2.45 3.64 0.81 -1.91 116.57 121.78 1hf9 h LYS 28 Ca -0.00 -0.17 -0.20 0.00 -1.27 0.00 0.00 60.65 59.00 1hf9 h LYS 28 Cb 0.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1hf9 h LYS 28 CO 0.01 0.83 -0.91 0.37 -2.27 0.00 0.00 179.45 177.48 1hf9 h GLN 29 N 0.15 0.17 -0.03 1.90 5.75 -0.50 -2.40 115.11 120.15 1hf9 h GLN 29 Ca -0.02 -0.20 -0.21 0.00 -0.15 0.00 0.00 58.65 58.08 1hf9 h GLN 29 Cb 1.25 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 1hf9 h GLN 29 CO 0.11 0.97 -0.85 0.66 -2.65 0.00 0.00 178.83 177.06 1hf9 h SER 30 N 0.09 0.48 0.25 -0.69 4.64 -1.41 -1.61 113.55 115.29 1hf9 h SER 30 Ca -0.05 -0.36 -0.18 0.00 -0.47 0.00 0.00 61.79 60.74 1hf9 h SER 30 Cb 1.56 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1hf9 h SER 30 CO 0.14 1.13 -0.72 -0.29 -0.87 0.00 0.00 176.83 176.22 1hf9 h ILE 31 N 0.23 1.38 0.02 0.95 6.09 -1.37 -1.46 117.51 123.34 1hf9 h ILE 31 Ca -0.06 -2.12 -0.22 0.00 -1.37 0.00 0.00 64.86 61.10 1hf9 h ILE 31 Cb 1.46 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 40.84 1hf9 h ILE 31 CO 0.14 0.64 -0.94 0.11 -3.07 0.00 0.00 178.15 175.03 1hf9 h LYS 32 N 0.28 0.27 -0.02 2.19 1.79 -1.44 -2.65 116.57 116.98 1hf9 h LYS 32 Ca -0.03 -0.31 -0.16 0.00 -2.18 0.00 0.00 60.65 57.96 1hf9 h LYS 32 Cb 1.29 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1hf9 h LYS 32 CO 0.12 1.04 -0.72 0.87 -1.08 0.00 0.00 179.45 179.68 1hf9 h LYS 33 N 0.14 0.15 -0.27 3.15 1.57 -1.27 -2.57 116.57 117.47 1hf9 h LYS 33 Ca -0.07 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 1hf9 h LYS 33 Cb 1.59 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.93 1hf9 h LYS 33 CO 0.15 0.81 -0.37 1.25 -0.57 0.00 0.00 179.45 180.72 1hf9 h LEU 34 N 0.10 0.78 -0.78 2.94 7.12 -1.26 -0.63 115.31 123.58 1hf9 h LEU 34 Ca -0.02 -0.50 -0.07 0.00 0.13 0.00 0.00 57.88 57.41 1hf9 h LEU 34 Cb 1.27 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 41.15 1hf9 h LEU 34 CO 0.11 1.13 0.10 0.50 -0.13 0.00 0.00 178.44 180.15 1hf9 h LYS 35 N 0.45 1.02 0.00 1.25 1.63 -1.46 -0.82 116.57 118.64 1hf9 h LYS 35 Ca 0.03 -0.26 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 1hf9 h LYS 35 Cb 0.95 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1hf9 h LYS 35 CO 0.09 0.94 -0.44 0.37 -3.45 0.00 0.00 179.45 176.96 1hf9 h GLN 36 N 0.96 0.00 0.00 1.90 4.15 -1.42 -3.06 115.11 117.64 1hf9 h GLN 36 Ca 0.19 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 1hf9 h GLN 36 Cb 0.42 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1hf9 h GLN 36 CO 0.01 0.44 -0.54 0.77 -1.93 0.00 0.00 178.83 177.58 1hf9 h SER 37 N 0.00 0.00 1.21 -0.69 0.02 -0.67 -3.21 113.55 110.21 1hf9 h SER 37 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1hf9 h SER 37 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1hf9 h SER 37 CO 0.06 0.53 -0.49 -0.08 -1.14 0.00 0.00 176.83 175.71 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.81 -1.07 -3.13 114.58 118.64 1hf9 h GLU 38 Ca -0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1hf9 h GLU 38 Cb 1.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1hf9 h GLU 38 CO 0.07 0.49 -0.52 0.22 -0.73 0.00 0.00 179.01 178.53 1hf9 h ASP 39 N 0.00 0.00 -5.76 1.04 1.82 -1.54 -3.49 116.42 108.49 1hf9 h ASP 39 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1hf9 h ASP 39 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1hf9 h ASP 39 CO 0.06 0.52 -0.95 0.47 -1.61 0.00 0.00 179.24 177.74 1hf9 n ASP 40 N -3.65 -7.20 0.00 2.28 8.00 -1.19 -5.14 116.55 109.65 1hf9 n ASP 40 Ca -0.01 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1hf9 n ASP 40 Cb 0.58 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91