#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 4.19 -0.26 0.00 1.43 -1.26 -4.96 118.68 117.83 1hf9 s LEU 2 Ca 0.00 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1hf9 s LEU 2 Cb 0.00 -2.69 -0.16 0.00 0.03 0.00 0.00 46.19 43.37 1hf9 s LEU 2 CO 0.00 -0.11 -0.25 0.29 0.23 0.00 0.00 176.35 176.51 1hf9 n LYS 3 N 4.40 0.63 0.00 1.70 4.01 -1.26 -5.01 118.16 122.63 1hf9 n LYS 3 Ca -0.06 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1hf9 n LYS 3 Cb 0.51 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 1hf9 n LYS 3 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1hf9 n LYS 4 N -3.43 0.00 -0.44 1.97 4.76 -1.26 -4.12 118.16 115.64 1hf9 n LYS 4 Ca -0.47 0.00 0.38 0.00 -2.87 0.00 0.00 58.31 55.35 1hf9 n LYS 4 Cb 0.96 0.00 0.71 0.00 -1.84 0.00 0.00 35.03 34.86 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1hf9 h HIS 5 N 0.00 0.23 0.03 2.13 2.07 -2.00 0.48 115.15 118.09 1hf9 h HIS 5 Ca 0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1hf9 h HIS 5 Cb 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 29.92 1hf9 h HIS 5 CO 0.00 -0.04 -0.02 0.45 -3.07 0.00 0.00 177.93 175.26 1hf9 h HIS 6 N 0.08 -0.04 -0.07 6.12 3.86 -2.00 -2.35 115.15 120.76 1hf9 h HIS 6 Ca 0.72 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.95 1hf9 h HIS 6 Cb 2.56 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 31.04 1hf9 h HIS 6 CO -0.00 0.28 0.15 1.49 0.86 0.00 0.00 177.93 180.71 1hf9 h GLU 7 N -0.36 0.00 0.39 2.45 4.81 -0.40 0.11 114.58 121.58 1hf9 h GLU 7 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1hf9 h GLU 7 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1hf9 h GLU 7 CO 0.01 0.00 -0.19 -0.97 -0.73 0.00 0.00 179.01 177.13 1hf9 h ASN 8 N 0.00 -0.44 0.51 1.04 -0.73 -0.83 -0.08 115.58 115.05 1hf9 h ASN 8 Ca 0.03 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1hf9 h ASN 8 Cb 0.33 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1hf9 h ASN 8 CO -0.00 -0.12 0.00 -0.62 -0.37 0.00 0.00 177.43 176.32 1hf9 n GLU 9 N -4.47 0.09 0.01 6.67 4.71 -1.01 -1.78 120.64 124.85 1hf9 n GLU 9 Ca -0.06 0.37 -0.07 0.00 -0.01 0.00 0.00 57.16 57.38 1hf9 n GLU 9 Cb 0.21 -1.69 -0.13 0.00 -1.01 0.00 0.00 31.44 28.82 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 1.17 0.01 -3.67 2.04 -0.75 -2.78 117.51 113.54 1hf9 h ILE 10 Ca 0.00 -2.95 -0.20 0.00 1.00 0.00 0.00 64.86 62.71 1hf9 h ILE 10 Cb 0.25 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1hf9 h ILE 10 CO 0.00 0.67 -0.93 -1.28 0.00 0.00 0.00 178.15 176.61 1hf9 h SER 11 N 0.00 0.04 -0.02 1.72 0.87 -0.18 -2.04 113.55 113.94 1hf9 h SER 11 Ca -0.17 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1hf9 h SER 11 Cb 1.89 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1hf9 h SER 11 CO 0.10 0.95 -0.17 -0.74 -0.53 0.00 0.00 176.83 176.44 1hf9 h HIS 12 N 0.01 0.21 -0.06 2.24 -0.00 -1.54 -2.39 115.15 113.63 1hf9 h HIS 12 Ca -0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.21 1hf9 h HIS 12 Cb 1.63 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.00 1hf9 h HIS 12 CO 0.01 0.82 -0.18 0.45 -0.00 0.00 0.00 177.93 179.03 1hf9 h HIS 13 N -0.46 0.09 -0.63 5.26 3.86 -1.57 -1.89 115.15 119.82 1hf9 h HIS 13 Ca -0.01 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1hf9 h HIS 13 Cb 0.85 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1hf9 h HIS 13 CO 0.16 0.27 0.07 0.00 0.86 0.00 0.00 177.93 179.28 1hf9 h ALA 14 N 1.74 0.94 0.00 2.45 0.00 -1.32 -1.85 119.26 121.22 1hf9 h ALA 14 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1hf9 h ALA 14 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hf9 h ALA 14 CO 0.02 0.65 -0.20 0.87 0.00 0.00 0.00 179.25 180.59 1hf9 h LYS 15 N 0.98 0.00 -0.05 0.00 1.57 -0.83 -1.96 116.57 116.29 1hf9 h LYS 15 Ca 0.19 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 1hf9 h LYS 15 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1hf9 h LYS 15 CO 0.02 0.20 -0.80 0.93 -0.57 0.00 0.00 179.45 179.23 1hf9 h GLU 16 N 0.00 0.62 -0.04 3.15 3.07 -0.66 -0.67 114.58 120.06 1hf9 h GLU 16 Ca -0.00 -0.61 -0.19 0.00 -0.50 0.00 0.00 59.36 58.06 1hf9 h GLU 16 Cb 0.75 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1hf9 h GLU 16 CO 0.03 1.22 -0.80 0.97 -1.40 0.00 0.00 179.01 179.02 1hf9 h ILE 17 N 0.26 1.42 0.00 3.13 2.10 -1.29 -2.17 117.51 120.96 1hf9 h ILE 17 Ca -0.09 -2.33 -0.16 0.00 1.08 0.00 0.00 64.86 63.36 1hf9 h ILE 17 Cb 1.46 2.27 -0.02 0.00 -1.09 0.00 0.00 36.82 39.44 1hf9 h ILE 17 CO 0.16 0.69 -0.76 -0.08 -1.08 0.00 0.00 178.15 177.08 1hf9 h GLU 18 N 0.20 0.00 -0.10 2.19 4.22 -1.41 -2.41 114.58 117.27 1hf9 h GLU 18 Ca -0.04 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.27 1hf9 h GLU 18 Cb 1.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1hf9 h GLU 18 CO 0.13 0.76 -0.45 -0.09 -2.18 0.00 0.00 179.01 177.18 1hf9 h ARG 19 N 0.00 0.48 -0.28 1.92 2.43 -1.06 -2.63 114.38 115.24 1hf9 h ARG 19 Ca -0.01 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.70 1hf9 h ARG 19 Cb 1.38 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1hf9 h ARG 19 CO 0.10 1.02 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.33 1hf9 h LEU 20 N 0.06 0.48 -0.49 3.80 3.38 -1.43 -2.76 115.31 118.34 1hf9 h LEU 20 Ca -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1hf9 h LEU 20 Cb 1.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1hf9 h LEU 20 CO 0.09 0.68 0.21 -0.61 0.09 0.00 0.00 178.44 178.91 1hf9 h GLN 21 N 0.45 0.73 -0.40 1.13 4.15 -1.41 -2.12 115.11 117.63 1hf9 h GLN 21 Ca 0.08 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1hf9 h GLN 21 Cb 0.57 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1hf9 h GLN 21 CO 0.04 0.63 0.22 0.87 -1.93 0.00 0.00 178.83 178.66 1hf9 h LYS 22 N 0.65 0.43 -0.67 1.69 1.57 -1.21 -1.59 116.57 117.44 1hf9 h LYS 22 Ca 0.17 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1hf9 h LYS 22 Cb 0.16 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1hf9 h LYS 22 CO -0.02 0.29 0.40 1.49 -0.57 0.00 0.00 179.45 181.04 1hf9 h GLU 23 N 0.44 0.74 -0.09 3.15 4.81 -1.27 -0.87 114.58 121.49 1hf9 h GLU 23 Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1hf9 h GLU 23 Cb 0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1hf9 h GLU 23 CO -0.09 0.49 -0.11 -0.84 -0.73 0.00 0.00 179.01 177.73 1hf9 h ILE 24 N 0.76 1.13 -0.37 2.32 -0.00 -0.89 -2.37 117.51 118.10 1hf9 h ILE 24 Ca 0.29 -0.57 -0.01 0.00 -0.00 0.00 0.00 64.86 64.56 1hf9 h ILE 24 Cb 0.10 1.18 -0.02 0.00 -0.00 0.00 0.00 36.82 38.09 1hf9 h ILE 24 CO -0.14 0.18 0.20 -0.08 -0.00 0.00 0.00 178.15 178.30 1hf9 h GLU 25 N 0.13 0.51 -0.24 0.16 4.81 -0.19 0.10 114.58 119.86 1hf9 h GLU 25 Ca 0.03 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1hf9 h GLU 25 Cb 0.27 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1hf9 h GLU 25 CO 0.02 0.42 0.04 -0.09 -0.73 0.00 0.00 179.01 178.67 1hf9 h ARG 26 N 0.47 0.13 0.00 1.92 2.43 -1.05 0.33 114.38 118.60 1hf9 h ARG 26 Ca 0.13 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1hf9 h ARG 26 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1hf9 h ARG 26 CO -0.02 0.09 -0.06 0.45 -1.51 0.00 0.00 179.97 178.92 1hf9 h HIS 27 N 0.14 0.00 0.00 2.20 3.86 -1.24 -1.72 115.15 118.39 1hf9 h HIS 27 Ca 0.11 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.13 1hf9 h HIS 27 Cb 0.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1hf9 h HIS 27 CO -0.16 0.06 -0.88 -0.22 0.86 0.00 0.00 177.93 177.59 1hf9 h LYS 28 N 0.00 0.01 -0.06 2.45 3.11 0.10 -2.17 116.57 120.00 1hf9 h LYS 28 Ca -0.00 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.62 1hf9 h LYS 28 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1hf9 h LYS 28 CO 0.01 0.89 -0.83 0.37 -2.81 0.00 0.00 179.45 177.07 1hf9 h GLN 29 N 0.00 0.52 -0.10 1.90 -0.00 -0.27 0.21 115.11 117.38 1hf9 h GLN 29 Ca -0.01 -0.48 -0.17 0.00 -0.00 0.00 0.00 58.65 57.99 1hf9 h GLN 29 Cb 1.56 0.11 0.01 0.00 0.00 0.00 0.00 27.48 29.16 1hf9 h GLN 29 CO 0.12 1.11 -0.60 0.77 0.00 0.00 0.00 178.83 180.22 1hf9 h SER 30 N 0.33 0.70 1.53 -0.69 0.02 -1.51 -1.53 113.55 112.40 1hf9 h SER 30 Ca -0.06 -0.66 -0.03 0.00 -0.84 0.00 0.00 61.79 60.20 1hf9 h SER 30 Cb 1.45 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1hf9 h SER 30 CO 0.15 1.25 -0.14 -0.29 -1.14 0.00 0.00 176.83 176.66 1hf9 h ILE 31 N 0.20 0.27 0.00 3.27 -0.00 -1.45 -2.64 117.51 117.17 1hf9 h ILE 31 Ca -0.05 -1.18 -0.20 0.00 -0.00 0.00 0.00 64.86 63.43 1hf9 h ILE 31 Cb 1.25 1.95 -0.03 0.00 -0.00 0.00 0.00 36.82 39.99 1hf9 h ILE 31 CO 0.12 0.14 -1.13 0.50 -0.00 0.00 0.00 178.15 177.79 1hf9 h LYS 32 N 0.00 0.00 0.03 2.19 3.64 -0.93 -2.37 116.57 119.13 1hf9 h LYS 32 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1hf9 h LYS 32 Cb 0.94 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1hf9 h LYS 32 CO 0.02 0.69 -1.09 0.87 -2.27 0.00 0.00 179.45 177.67 1hf9 h LYS 33 N 0.00 0.64 -0.04 1.90 1.79 -1.20 -0.39 116.57 119.27 1hf9 h LYS 33 Ca -0.09 -0.73 -0.22 0.00 -2.18 0.00 0.00 60.65 57.42 1hf9 h LYS 33 Cb 1.73 0.22 0.01 0.00 -1.58 0.00 0.00 32.23 32.60 1hf9 h LYS 33 CO 0.09 1.31 -0.89 -0.07 -1.08 0.00 0.00 179.45 178.81 1hf9 h LEU 34 N 0.34 0.65 -0.34 2.94 3.38 -1.58 -2.13 115.31 118.58 1hf9 h LEU 34 Ca -0.14 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.24 1hf9 h LEU 34 Cb 1.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1hf9 h LEU 34 CO 0.21 1.28 -0.51 0.50 0.09 0.00 0.00 178.44 180.01 1hf9 h LYS 35 N 0.32 0.00 0.02 1.13 3.64 -1.49 -3.04 116.57 117.15 1hf9 h LYS 35 Ca -0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.09 1hf9 h LYS 35 Cb 1.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 1hf9 h LYS 35 CO 0.16 0.51 -1.01 0.37 -2.27 0.00 0.00 179.45 177.21 1hf9 h GLN 36 N 0.00 0.06 0.00 1.90 5.75 -1.04 -3.22 115.11 118.57 1hf9 h GLN 36 Ca -0.01 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.32 1hf9 h GLN 36 Cb 1.25 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 1hf9 h GLN 36 CO 0.07 1.01 -0.38 0.77 -2.65 0.00 0.00 178.83 177.64 1hf9 h SER 37 N 0.02 0.00 0.99 -0.69 0.02 -1.36 -0.78 113.55 111.74 1hf9 h SER 37 Ca -0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1hf9 h SER 37 Cb 1.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1hf9 h SER 37 CO 0.14 0.38 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.75 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.22 -1.54 -3.18 114.58 117.53 1hf9 h GLU 38 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1hf9 h GLU 38 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1hf9 h GLU 38 CO 0.05 0.38 -0.38 -3.47 -2.18 0.00 0.00 179.01 173.41 1hf9 n ASP 39 N -3.45 1.79 -4.85 1.04 -0.08 -1.12 -5.06 116.55 104.83 1hf9 n ASP 39 Ca 0.00 -3.43 -0.29 0.00 -1.51 0.00 0.00 54.79 49.55 1hf9 n ASP 39 Cb 0.54 -0.47 0.09 0.00 2.34 0.00 0.00 41.12 43.63 1hf9 n ASP 39 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1hf9 s ASP 40 N -2.95 4.39 0.00 1.67 2.15 -0.31 -5.03 116.67 116.60 1hf9 s ASP 40 Ca 0.34 1.00 0.14 0.00 0.43 0.00 0.00 52.55 54.46 1hf9 s ASP 40 Cb 0.33 -1.61 0.11 0.00 -0.30 0.00 0.00 42.92 41.44 1hf9 s ASP 40 CO -0.04 -2.00 0.94 -0.67 -0.17 0.00 0.00 175.17 173.23