#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf9 n LEU 2 N 0.00 -0.78 -2.79 0.00 7.99 -1.26 -4.96 117.00 115.20 1hf9 n LEU 2 Ca 0.00 1.79 -0.04 0.00 -0.01 0.00 0.00 56.01 57.76 1hf9 n LEU 2 Cb 0.00 -3.72 -0.03 0.00 -0.11 0.00 0.00 43.42 39.56 1hf9 n LEU 2 CO 0.00 -2.26 -0.42 1.17 -1.51 0.00 0.00 177.39 174.37 1hf9 n LYS 3 N -3.99 -3.32 -0.74 3.23 4.81 -1.26 -4.90 118.16 111.99 1hf9 n LYS 3 Ca -0.05 2.60 0.02 0.00 -0.87 0.00 0.00 58.31 60.02 1hf9 n LYS 3 Cb 0.63 -3.42 0.29 0.00 0.02 0.00 0.00 35.03 32.55 1hf9 n LYS 3 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1hf9 n LYS 4 N 2.04 3.30 -0.07 1.64 2.85 -1.26 -4.41 118.16 122.25 1hf9 n LYS 4 Ca -0.26 -3.02 -0.05 0.00 -1.05 0.00 0.00 58.31 53.94 1hf9 n LYS 4 Cb 0.41 -2.02 -0.02 0.00 -0.65 0.00 0.00 35.03 32.75 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1hf9 n HIS 5 N -0.33 0.71 0.05 5.58 -0.00 -1.26 -3.56 115.22 116.41 1hf9 n HIS 5 Ca 0.30 0.31 0.02 0.00 -0.00 0.00 0.00 57.72 58.35 1hf9 n HIS 5 Cb 1.11 -0.68 0.37 0.00 -0.00 0.00 0.00 29.99 30.79 1hf9 n HIS 5 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1hf9 h HIS 6 N -0.89 0.41 0.00 4.41 2.07 -1.97 -1.06 115.15 118.11 1hf9 h HIS 6 Ca 0.00 -0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.44 1hf9 h HIS 6 Cb 0.52 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 1hf9 h HIS 6 CO -0.22 0.41 -0.24 0.93 -3.07 0.00 0.00 177.93 175.74 1hf9 h GLU 7 N 0.39 0.00 0.55 5.12 4.39 -1.77 0.87 114.58 124.13 1hf9 h GLU 7 Ca 0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1hf9 h GLU 7 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1hf9 h GLU 7 CO 0.01 0.24 -0.26 -0.91 -1.16 0.00 0.00 179.01 176.93 1hf9 h ASN 8 N 0.00 -0.62 0.38 1.42 2.35 -1.25 -0.00 115.58 117.85 1hf9 h ASN 8 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1hf9 h ASN 8 Cb 0.51 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1hf9 h ASN 8 CO 0.03 -0.22 0.00 -0.08 -1.65 0.00 0.00 177.43 175.51 1hf9 h GLU 9 N -1.19 0.00 0.00 0.81 4.81 -1.44 -0.86 114.58 116.72 1hf9 h GLU 9 Ca -0.08 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 1hf9 h GLU 9 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1hf9 h GLU 9 CO 0.12 0.00 -1.07 0.82 -0.73 0.00 0.00 179.01 178.15 1hf9 h ILE 10 N 0.00 1.58 -0.09 2.32 2.04 -0.68 -2.71 117.51 119.97 1hf9 h ILE 10 Ca 0.00 -3.29 -0.20 0.00 1.00 0.00 0.00 64.86 62.37 1hf9 h ILE 10 Cb 0.19 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1hf9 h ILE 10 CO 0.00 0.90 -0.77 -1.28 0.00 0.00 0.00 178.15 177.00 1hf9 h SER 11 N 0.00 0.60 -0.05 1.72 0.87 0.46 -2.16 113.55 114.99 1hf9 h SER 11 Ca -0.04 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1hf9 h SER 11 Cb 1.78 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1hf9 h SER 11 CO 0.12 1.16 -0.04 -0.74 -0.53 0.00 0.00 176.83 176.80 1hf9 h HIS 12 N 0.33 0.14 -0.37 2.24 -0.00 -1.53 -2.65 115.15 113.31 1hf9 h HIS 12 Ca -0.04 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1hf9 h HIS 12 Cb 1.36 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.72 1hf9 h HIS 12 CO 0.06 0.57 0.25 0.45 -0.00 0.00 0.00 177.93 179.25 1hf9 h HIS 13 N -0.33 0.38 -0.34 5.26 -0.00 -1.52 -1.40 115.15 117.20 1hf9 h HIS 13 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1hf9 h HIS 13 Cb 0.54 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1hf9 h HIS 13 CO 0.09 0.23 0.14 0.00 -0.00 0.00 0.00 177.93 178.39 1hf9 h ALA 14 N 1.79 0.44 0.00 2.45 0.00 -1.25 -1.27 119.26 121.42 1hf9 h ALA 14 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1hf9 h ALA 14 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1hf9 h ALA 14 CO -0.03 0.03 0.00 1.57 0.00 0.00 0.00 179.25 180.82 1hf9 h LYS 15 N 0.40 0.00 0.11 0.00 2.10 -0.98 -2.04 116.57 116.17 1hf9 h LYS 15 Ca 0.11 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.58 1hf9 h LYS 15 Cb 0.17 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.52 1hf9 h LYS 15 CO -0.01 0.00 -0.79 0.93 -2.00 0.00 0.00 179.45 177.58 1hf9 h GLU 16 N 0.00 0.34 0.00 0.07 5.08 -0.23 -0.73 114.58 119.11 1hf9 h GLU 16 Ca 0.00 -0.51 -0.18 0.00 -1.00 0.00 0.00 59.36 57.67 1hf9 h GLU 16 Cb 0.40 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1hf9 h GLU 16 CO 0.00 1.22 -0.84 0.97 -1.00 0.00 0.00 179.01 179.36 1hf9 h ILE 17 N -0.28 1.57 0.04 3.13 2.10 -1.23 -2.04 117.51 120.80 1hf9 h ILE 17 Ca -0.13 -2.78 -0.23 0.00 1.08 0.00 0.00 64.86 62.80 1hf9 h ILE 17 Cb 1.58 2.51 -0.02 0.00 -1.09 0.00 0.00 36.82 39.81 1hf9 h ILE 17 CO 0.15 0.80 -1.06 -0.08 -1.08 0.00 0.00 178.15 176.88 1hf9 h GLU 18 N 0.02 0.10 -0.08 2.19 4.22 -1.48 -2.46 114.58 117.10 1hf9 h GLU 18 Ca -0.02 -0.16 -0.24 0.00 0.08 0.00 0.00 59.36 59.02 1hf9 h GLU 18 Cb 1.47 0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.79 1hf9 h GLU 18 CO 0.11 1.06 -0.90 -0.09 -2.18 0.00 0.00 179.01 177.01 1hf9 h ARG 19 N 0.03 0.76 -0.23 1.92 2.43 -1.12 -2.64 114.38 115.52 1hf9 h ARG 19 Ca -0.05 -0.71 -0.14 0.00 -0.81 0.00 0.00 59.98 58.28 1hf9 h ARG 19 Cb 1.81 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 1hf9 h ARG 19 CO 0.15 1.29 -0.43 -0.07 -1.51 0.00 0.00 179.97 179.40 1hf9 h LEU 20 N 0.47 0.61 -0.60 3.80 3.38 -1.45 -2.74 115.31 118.79 1hf9 h LEU 20 Ca -0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1hf9 h LEU 20 Cb 1.55 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1hf9 h LEU 20 CO 0.18 0.96 0.29 1.56 0.09 0.00 0.00 178.44 181.53 1hf9 h GLN 21 N 0.46 0.86 -0.48 1.13 1.08 -1.44 -1.99 115.11 114.74 1hf9 h GLN 21 Ca 0.03 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1hf9 h GLN 21 Cb 0.94 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1hf9 h GLN 21 CO 0.08 0.69 0.28 -0.22 -0.95 0.00 0.00 178.83 178.71 1hf9 h LYS 22 N 0.82 0.66 -0.87 1.46 3.64 -1.35 -2.10 116.57 118.83 1hf9 h LYS 22 Ca 0.21 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1hf9 h LYS 22 Cb 0.11 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1hf9 h LYS 22 CO -0.03 0.50 0.56 1.49 -2.27 0.00 0.00 179.45 179.70 1hf9 h GLU 23 N 0.63 1.04 -0.03 1.90 4.81 -1.20 -0.88 114.58 120.85 1hf9 h GLU 23 Ca 0.17 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1hf9 h GLU 23 Cb 0.02 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1hf9 h GLU 23 CO -0.03 0.69 -0.23 -0.84 -0.73 0.00 0.00 179.01 177.87 1hf9 h ILE 24 N 1.07 1.18 -0.38 2.32 -0.00 -0.97 -2.54 117.51 118.20 1hf9 h ILE 24 Ca 0.35 -0.84 -0.02 0.00 -0.00 0.00 0.00 64.86 64.35 1hf9 h ILE 24 Cb 0.03 1.41 -0.02 0.00 -0.00 0.00 0.00 36.82 38.24 1hf9 h ILE 24 CO -0.13 0.24 0.17 -0.08 -0.00 0.00 0.00 178.15 178.36 1hf9 h GLU 25 N 0.05 0.55 -0.07 0.16 4.81 -0.49 0.88 114.58 120.46 1hf9 h GLU 25 Ca 0.01 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1hf9 h GLU 25 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1hf9 h GLU 25 CO 0.03 0.50 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.66 1hf9 h ARG 26 N 0.47 -0.08 0.00 1.92 2.43 -1.09 0.24 114.38 118.27 1hf9 h ARG 26 Ca 0.13 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1hf9 h ARG 26 Cb 0.15 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1hf9 h ARG 26 CO -0.01 -0.05 -0.01 0.45 -1.51 0.00 0.00 179.97 178.83 1hf9 h HIS 27 N -0.08 0.00 0.00 2.20 3.86 -1.30 -1.59 115.15 118.24 1hf9 h HIS 27 Ca 0.05 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 1hf9 h HIS 27 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1hf9 h HIS 27 CO -0.17 0.01 -0.66 -0.22 0.86 0.00 0.00 177.93 177.75 1hf9 h LYS 28 N 0.00 0.00 0.06 2.45 3.64 0.11 -2.44 116.57 120.38 1hf9 h LYS 28 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1hf9 h LYS 28 Cb 0.28 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1hf9 h LYS 28 CO 0.00 0.66 -1.12 0.37 -2.27 0.00 0.00 179.45 177.09 1hf9 h GLN 29 N 0.00 0.58 -0.20 1.90 4.15 -0.08 -0.44 115.11 121.02 1hf9 h GLN 29 Ca -0.01 -0.71 -0.18 0.00 0.77 0.00 0.00 58.65 58.52 1hf9 h GLN 29 Cb 1.51 0.22 0.01 0.00 0.21 0.00 0.00 27.48 29.42 1hf9 h GLN 29 CO 0.09 1.30 -0.60 1.03 -1.93 0.00 0.00 178.83 178.72 1hf9 h SER 30 N 0.29 0.87 1.06 -0.69 0.87 -1.55 -1.02 113.55 113.39 1hf9 h SER 30 Ca -0.14 -0.59 -0.12 0.00 -1.23 0.00 0.00 61.79 59.71 1hf9 h SER 30 Cb 1.78 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 1hf9 h SER 30 CO 0.21 1.30 -0.57 -0.29 -0.53 0.00 0.00 176.83 176.95 1hf9 h ILE 31 N 0.48 1.12 0.00 2.23 6.09 -1.52 -2.67 117.51 123.24 1hf9 h ILE 31 Ca -0.02 -2.21 -0.12 0.00 -1.37 0.00 0.00 64.86 61.14 1hf9 h ILE 31 Cb 1.22 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 40.80 1hf9 h ILE 31 CO 0.13 0.56 -0.61 0.50 -3.07 0.00 0.00 178.15 175.66 1hf9 h LYS 32 N 0.00 0.00 0.08 2.19 3.64 -1.05 -2.28 116.57 119.15 1hf9 h LYS 32 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1hf9 h LYS 32 Cb 1.26 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1hf9 h LYS 32 CO 0.07 0.54 -1.04 0.87 -2.27 0.00 0.00 179.45 177.62 1hf9 h LYS 33 N 0.00 0.57 -0.01 1.90 1.57 -1.10 -0.31 116.57 119.19 1hf9 h LYS 33 Ca -0.02 -0.71 -0.19 0.00 -1.87 0.00 0.00 60.65 57.86 1hf9 h LYS 33 Cb 1.43 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1hf9 h LYS 33 CO 0.07 1.31 -0.83 1.25 -0.57 0.00 0.00 179.45 180.67 1hf9 h LEU 34 N 0.15 0.22 0.00 2.94 6.46 -1.56 -1.88 115.31 121.65 1hf9 h LEU 34 Ca -0.15 -0.17 -0.14 0.00 -0.12 0.00 0.00 57.88 57.29 1hf9 h LEU 34 Cb 1.73 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.57 1hf9 h LEU 34 CO 0.20 0.96 -0.75 0.50 -0.62 0.00 0.00 178.44 178.72 1hf9 h LYS 35 N 0.10 0.00 0.00 1.25 3.64 -1.49 -3.09 116.57 116.98 1hf9 h LYS 35 Ca -0.03 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1hf9 h LYS 35 Cb 1.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1hf9 h LYS 35 CO 0.12 0.58 -0.76 0.37 -2.27 0.00 0.00 179.45 177.50 1hf9 h GLN 36 N 0.00 0.00 0.00 1.90 4.15 -1.02 -2.92 115.11 117.23 1hf9 h GLN 36 Ca -0.03 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1hf9 h GLN 36 Cb 1.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.18 1hf9 h GLN 36 CO 0.08 0.53 -0.59 0.77 -1.93 0.00 0.00 178.83 177.68 1hf9 h SER 37 N 0.00 0.00 0.84 -0.69 0.02 -1.38 -1.00 113.55 111.34 1hf9 h SER 37 Ca -0.04 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.68 1hf9 h SER 37 Cb 1.48 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 1hf9 h SER 37 CO 0.07 0.59 -1.23 -0.08 -1.14 0.00 0.00 176.83 175.04 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.81 -1.58 -3.32 114.58 117.94 1hf9 h GLU 38 Ca -0.01 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1hf9 h GLU 38 Cb 1.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1hf9 h GLU 38 CO 0.08 0.76 -1.22 0.22 -0.73 0.00 0.00 179.01 178.12 1hf9 h ASP 39 N 0.00 0.00 -1.99 1.04 1.82 -1.54 -3.45 116.42 112.29 1hf9 h ASP 39 Ca -0.11 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 55.94 1hf9 h ASP 39 Cb 1.82 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.83 1hf9 h ASP 39 CO 0.10 0.53 1.50 -1.81 -1.61 0.00 0.00 179.24 177.95 1hf9 s ASP 40 N -5.88 5.42 0.00 2.28 1.11 -0.38 -5.09 116.67 114.13 1hf9 s ASP 40 Ca -0.02 1.85 0.11 0.00 0.18 0.00 0.00 52.55 54.68 1hf9 s ASP 40 Cb 0.09 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.65 1hf9 s ASP 40 CO 0.80 -1.99 0.85 -0.67 1.18 0.00 0.00 175.17 175.33