#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 0.08 0.70 0.00 0.20 -1.26 -5.16 118.68 113.25 1hf9 s LEU 2 Ca 0.00 0.55 -0.11 0.00 0.69 0.00 0.00 54.13 55.27 1hf9 s LEU 2 Cb 0.00 0.72 0.01 0.00 -0.43 0.00 0.00 46.19 46.49 1hf9 s LEU 2 CO 0.00 -0.20 1.06 -0.54 -0.29 0.00 0.00 176.35 176.38 1hf9 s LYS 3 N 1.79 2.87 -0.08 1.98 3.01 -1.26 -5.01 119.74 123.03 1hf9 s LYS 3 Ca -0.04 0.92 -0.03 0.00 -1.01 0.00 0.00 55.97 55.81 1hf9 s LYS 3 Cb -0.11 -1.98 -0.04 0.00 -1.01 0.00 0.00 37.83 34.69 1hf9 s LYS 3 CO -0.09 -1.14 -0.10 1.63 0.51 0.00 0.00 175.35 176.17 1hf9 n LYS 4 N -3.15 0.18 -0.24 1.68 5.02 -1.26 -4.58 118.16 115.81 1hf9 n LYS 4 Ca 0.07 0.07 0.26 0.00 -2.02 0.00 0.00 58.31 56.70 1hf9 n LYS 4 Cb 0.54 -0.87 0.64 0.00 -0.02 0.00 0.00 35.03 35.32 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 1hf9 h HIS 5 N -0.23 0.24 0.64 2.13 2.07 -2.00 -1.23 115.15 116.76 1hf9 h HIS 5 Ca -0.20 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.29 1hf9 h HIS 5 Cb 1.20 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 31.12 1hf9 h HIS 5 CO -0.02 0.04 -0.31 0.45 -3.07 0.00 0.00 177.93 175.03 1hf9 h HIS 6 N 0.16 -0.80 -0.42 6.12 3.86 -2.00 -2.20 115.15 119.87 1hf9 h HIS 6 Ca 0.48 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.79 1hf9 h HIS 6 Cb 1.62 0.27 -0.02 0.00 1.06 0.00 0.00 27.41 30.34 1hf9 h HIS 6 CO -0.00 -0.47 0.54 0.93 0.86 0.00 0.00 177.93 179.79 1hf9 h GLU 7 N -0.98 0.00 0.53 2.45 5.08 -1.48 0.12 114.58 120.30 1hf9 h GLU 7 Ca -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1hf9 h GLU 7 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1hf9 h GLU 7 CO 0.15 0.00 -0.26 -0.97 -1.00 0.00 0.00 179.01 176.93 1hf9 h ASN 8 N 0.00 -0.61 0.46 1.42 -0.73 -1.10 0.20 115.58 115.22 1hf9 h ASN 8 Ca 0.20 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1hf9 h ASN 8 Cb 1.27 0.16 0.00 0.00 0.27 0.00 0.00 38.32 40.02 1hf9 h ASN 8 CO -0.00 -0.24 0.00 -0.62 -0.37 0.00 0.00 177.43 176.19 1hf9 n GLU 9 N -4.98 0.02 0.01 6.67 1.02 -0.65 -1.88 120.64 120.85 1hf9 n GLU 9 Ca -0.09 0.25 -0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1hf9 n GLU 9 Cb 0.28 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 1hf9 n GLU 9 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1hf9 h ILE 10 N 0.00 0.64 0.02 -3.67 2.04 -0.71 -2.70 117.51 113.13 1hf9 h ILE 10 Ca 0.00 -2.26 -0.22 0.00 1.00 0.00 0.00 64.86 63.38 1hf9 h ILE 10 Cb 0.23 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1hf9 h ILE 10 CO 0.00 0.36 -1.04 0.28 0.00 0.00 0.00 178.15 177.75 1hf9 h SER 11 N 0.00 0.07 0.00 1.72 0.02 -0.22 -1.60 113.55 113.54 1hf9 h SER 11 Ca -0.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1hf9 h SER 11 Cb 1.74 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1hf9 h SER 11 CO 0.06 1.06 -0.04 -0.74 -1.14 0.00 0.00 176.83 176.03 1hf9 h HIS 12 N 0.01 0.03 0.00 3.45 -0.00 -1.59 -2.68 115.15 114.38 1hf9 h HIS 12 Ca -0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 1hf9 h HIS 12 Cb 1.80 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.20 1hf9 h HIS 12 CO 0.01 0.88 -0.18 0.45 -0.00 0.00 0.00 177.93 179.09 1hf9 h HIS 13 N -0.82 0.00 -0.10 5.26 -0.00 -1.58 -1.75 115.15 116.16 1hf9 h HIS 13 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1hf9 h HIS 13 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1hf9 h HIS 13 CO 0.23 0.18 -0.02 0.00 -0.00 0.00 0.00 177.93 178.31 1hf9 h ALA 14 N 1.82 0.14 0.00 2.45 0.00 -1.31 -1.59 119.26 120.76 1hf9 h ALA 14 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hf9 h ALA 14 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hf9 h ALA 14 CO 0.02 -0.14 0.00 -0.22 0.00 0.00 0.00 179.25 178.92 1hf9 h LYS 15 N -0.13 0.00 0.22 0.00 1.63 -1.13 -2.06 116.57 115.10 1hf9 h LYS 15 Ca 0.03 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.50 1hf9 h LYS 15 Cb 0.42 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1hf9 h LYS 15 CO 0.01 0.00 -1.45 0.93 -3.45 0.00 0.00 179.45 175.49 1hf9 h GLU 16 N 0.00 0.46 0.00 1.90 4.39 -0.94 -1.29 114.58 119.10 1hf9 h GLU 16 Ca 0.00 -0.79 -0.18 0.00 0.34 0.00 0.00 59.36 58.72 1hf9 h GLU 16 Cb 0.41 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1hf9 h GLU 16 CO 0.00 1.38 -0.88 0.97 -1.16 0.00 0.00 179.01 179.32 1hf9 h ILE 17 N 0.13 1.60 0.13 3.13 -0.00 -1.09 -1.58 117.51 119.83 1hf9 h ILE 17 Ca -0.23 -3.05 -0.28 0.00 -0.00 0.00 0.00 64.86 61.30 1hf9 h ILE 17 Cb 2.12 2.65 0.00 0.00 -0.00 0.00 0.00 36.82 41.60 1hf9 h ILE 17 CO 0.25 0.86 -1.32 -0.08 -0.00 0.00 0.00 178.15 177.86 1hf9 h GLU 18 N 0.00 0.27 -0.04 2.19 4.81 -1.48 -2.52 114.58 117.81 1hf9 h GLU 18 Ca -0.01 -0.47 -0.19 0.00 -0.13 0.00 0.00 59.36 58.56 1hf9 h GLU 18 Cb 1.58 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.13 1hf9 h GLU 18 CO 0.11 1.20 -0.81 0.00 -0.73 0.00 0.00 179.01 178.79 1hf9 h ARG 19 N 0.07 0.35 -0.29 1.92 3.08 -1.27 -2.61 114.38 115.62 1hf9 h ARG 19 Ca -0.16 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.39 1hf9 h ARG 19 Cb 1.99 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 32.12 1hf9 h ARG 19 CO 0.20 0.99 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.52 1hf9 h LEU 20 N 0.22 0.94 -0.83 3.04 3.38 -1.37 -2.66 115.31 118.04 1hf9 h LEU 20 Ca -0.04 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1hf9 h LEU 20 Cb 1.40 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1hf9 h LEU 20 CO 0.13 1.28 0.43 -0.61 0.09 0.00 0.00 178.44 179.77 1hf9 h GLN 21 N 0.63 1.18 -0.59 1.13 4.15 -1.44 -2.01 115.11 118.16 1hf9 h GLN 21 Ca 0.02 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1hf9 h GLN 21 Cb 1.10 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 1hf9 h GLN 21 CO 0.11 0.88 0.24 -0.22 -1.93 0.00 0.00 178.83 177.91 1hf9 h LYS 22 N 1.17 0.88 -0.90 1.69 3.11 -1.41 -2.35 116.57 118.75 1hf9 h LYS 22 Ca 0.29 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 1hf9 h LYS 22 Cb 0.07 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.11 1hf9 h LYS 22 CO -0.04 0.75 0.49 1.49 -2.81 0.00 0.00 179.45 179.33 1hf9 h GLU 23 N 0.81 1.26 -0.51 1.90 4.22 -1.10 -2.14 114.58 119.02 1hf9 h GLU 23 Ca 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 59.36 59.44 1hf9 h GLU 23 Cb 0.20 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1hf9 h GLU 23 CO -0.02 0.93 0.12 -0.84 -2.18 0.00 0.00 179.01 177.02 1hf9 h ILE 24 N 1.27 1.22 -0.56 2.32 -0.00 -1.08 -2.58 117.51 118.09 1hf9 h ILE 24 Ca 0.32 -0.79 -0.00 0.00 -0.00 0.00 0.00 64.86 64.39 1hf9 h ILE 24 Cb 0.03 0.70 -0.03 0.00 -0.00 0.00 0.00 36.82 37.53 1hf9 h ILE 24 CO -0.05 0.29 0.34 -0.08 -0.00 0.00 0.00 178.15 178.65 1hf9 h GLU 25 N 0.75 0.76 -0.12 0.16 4.81 -0.87 -0.37 114.58 119.71 1hf9 h GLU 25 Ca 0.17 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1hf9 h GLU 25 Cb 0.28 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1hf9 h GLU 25 CO -0.00 0.55 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.66 1hf9 h ARG 26 N 0.76 -0.07 0.00 1.92 2.43 -1.08 0.37 114.38 118.70 1hf9 h ARG 26 Ca 0.20 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1hf9 h ARG 26 Cb -0.02 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1hf9 h ARG 26 CO -0.04 -0.05 -0.08 0.45 -1.51 0.00 0.00 179.97 178.74 1hf9 h HIS 27 N -0.08 0.00 0.00 2.20 3.86 -1.24 -1.19 115.15 118.71 1hf9 h HIS 27 Ca 0.07 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1hf9 h HIS 27 Cb 0.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1hf9 h HIS 27 CO -0.20 0.08 -0.43 -0.22 0.86 0.00 0.00 177.93 178.02 1hf9 h LYS 28 N 0.00 0.00 0.06 2.45 3.64 0.75 -2.63 116.57 120.84 1hf9 h LYS 28 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.09 1hf9 h LYS 28 Cb 0.25 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1hf9 h LYS 28 CO 0.01 0.43 -1.15 0.37 -2.27 0.00 0.00 179.45 176.84 1hf9 h GLN 29 N 0.00 0.67 -0.32 1.90 5.75 0.24 -0.53 115.11 122.82 1hf9 h GLN 29 Ca -0.00 -0.80 -0.16 0.00 -0.15 0.00 0.00 58.65 57.54 1hf9 h GLN 29 Cb 1.25 0.25 -0.00 0.00 1.07 0.00 0.00 27.48 30.04 1hf9 h GLN 29 CO 0.06 1.36 -0.41 0.77 -2.65 0.00 0.00 178.83 177.96 1hf9 h SER 30 N 0.34 0.91 0.98 -0.69 0.02 -1.53 -0.77 113.55 112.82 1hf9 h SER 30 Ca -0.16 -0.49 -0.13 0.00 -0.84 0.00 0.00 61.79 60.17 1hf9 h SER 30 Cb 1.81 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.07 1hf9 h SER 30 CO 0.22 1.22 -0.61 -0.29 -1.14 0.00 0.00 176.83 176.24 1hf9 h ILE 31 N 0.62 1.21 0.00 3.27 6.09 -1.55 -2.58 117.51 124.57 1hf9 h ILE 31 Ca 0.04 -2.28 -0.13 0.00 -1.37 0.00 0.00 64.86 61.12 1hf9 h ILE 31 Cb 1.00 2.32 -0.02 0.00 0.47 0.00 0.00 36.82 40.59 1hf9 h ILE 31 CO 0.10 0.60 -0.60 0.50 -3.07 0.00 0.00 178.15 175.68 1hf9 h LYS 32 N 0.00 0.00 0.16 2.19 3.64 -1.00 -2.33 116.57 119.22 1hf9 h LYS 32 Ca -0.01 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 1hf9 h LYS 32 Cb 1.27 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1hf9 h LYS 32 CO 0.08 0.60 -1.30 -0.22 -2.27 0.00 0.00 179.45 176.34 1hf9 h LYS 33 N 0.00 0.52 -0.04 1.90 3.64 -1.06 -2.00 116.57 119.54 1hf9 h LYS 33 Ca -0.01 -0.77 -0.17 0.00 -1.27 0.00 0.00 60.65 58.43 1hf9 h LYS 33 Cb 1.42 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 1hf9 h LYS 33 CO 0.08 1.35 -0.74 -0.07 -2.27 0.00 0.00 179.45 177.80 1hf9 h LEU 34 N 0.20 0.28 -0.22 5.20 3.38 -1.52 -2.16 115.31 120.46 1hf9 h LEU 34 Ca -0.19 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.38 1hf9 h LEU 34 Cb 1.98 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1hf9 h LEU 34 CO 0.24 0.92 -0.92 0.50 0.09 0.00 0.00 178.44 179.27 1hf9 h LYS 35 N 0.15 0.16 -0.00 1.13 3.64 -1.49 -3.05 116.57 117.12 1hf9 h LYS 35 Ca -0.03 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 1hf9 h LYS 35 Cb 1.31 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1hf9 h LYS 35 CO 0.11 0.97 -0.76 0.37 -2.27 0.00 0.00 179.45 177.87 1hf9 h GLN 36 N 0.08 0.00 0.00 1.90 4.15 -1.33 -3.08 115.11 116.83 1hf9 h GLN 36 Ca -0.05 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1hf9 h GLN 36 Cb 1.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.25 1hf9 h GLN 36 CO 0.14 0.76 -0.40 0.77 -1.93 0.00 0.00 178.83 178.17 1hf9 h SER 37 N 0.00 0.00 0.67 -0.69 0.02 -1.39 -2.91 113.55 109.25 1hf9 h SER 37 Ca -0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1hf9 h SER 37 Cb 1.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1hf9 h SER 37 CO 0.10 0.40 -0.43 -0.33 -1.14 0.00 0.00 176.83 175.44 1hf9 h GLU 38 N 0.00 0.00 -0.02 3.45 5.08 -1.44 -3.13 114.58 118.52 1hf9 h GLU 38 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1hf9 h GLU 38 Cb 0.95 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.21 1hf9 h GLU 38 CO 0.05 0.43 -0.82 -0.44 -1.00 0.00 0.00 179.01 177.23 1hf9 h ASP 39 N 0.00 0.76 -3.73 1.42 5.19 -1.55 -3.47 116.42 115.04 1hf9 h ASP 39 Ca -0.00 -0.73 0.04 0.00 -0.62 0.00 0.00 57.03 55.71 1hf9 h ASP 39 Cb 0.88 -0.23 -0.24 0.00 0.18 0.00 0.00 39.33 39.92 1hf9 h ASP 39 CO 0.06 1.38 0.40 1.51 -3.12 0.00 0.00 179.24 179.47 1hf9 s ASP 40 N -7.03 -0.50 0.00 6.45 1.47 -1.18 -5.15 116.67 110.73 1hf9 s ASP 40 Ca -0.11 0.83 0.23 0.00 1.18 0.00 0.00 52.55 54.68 1hf9 s ASP 40 Cb 0.06 0.80 0.18 0.00 -0.34 0.00 0.00 42.92 43.62 1hf9 s ASP 40 CO 0.88 -0.26 1.22 0.47 0.68 0.00 0.00 175.17 178.16