#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 -0.28 -4.34 0.00 0.00 -1.26 -5.08 117.00 106.04 1hf9 n LEU 2 Ca 0.00 -1.13 -0.46 0.00 0.00 0.00 0.00 56.01 54.42 1hf9 n LEU 2 Cb 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 43.42 43.96 1hf9 n LEU 2 CO 0.00 1.01 0.67 -0.54 0.00 0.00 0.00 177.39 178.53 1hf9 s LYS 3 N 0.02 3.98 0.00 1.96 3.01 -1.26 -4.64 119.74 122.81 1hf9 s LYS 3 Ca 0.01 -2.91 0.00 0.00 -1.01 0.00 0.00 55.97 52.06 1hf9 s LYS 3 Cb 0.06 -4.53 0.00 0.00 -1.01 0.00 0.00 37.83 32.36 1hf9 s LYS 3 CO -0.02 -1.28 0.00 1.17 0.51 0.00 0.00 175.35 175.73 1hf9 n LYS 4 N 3.27 0.64 0.28 1.68 4.81 -1.26 -4.72 118.16 122.86 1hf9 n LYS 4 Ca 0.20 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.79 1hf9 n LYS 4 Cb 0.42 -0.87 0.86 0.00 0.02 0.00 0.00 35.03 35.47 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1hf9 h HIS 5 N 0.00 0.00 -0.30 5.64 2.07 -2.02 -1.35 115.15 119.19 1hf9 h HIS 5 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1hf9 h HIS 5 Cb 0.74 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.70 1hf9 h HIS 5 CO 0.00 0.00 -0.05 1.12 -3.07 0.00 0.00 177.93 175.93 1hf9 h HIS 6 N 0.00 0.50 -0.86 6.12 2.07 -1.93 -2.51 115.15 118.54 1hf9 h HIS 6 Ca 0.01 -0.06 -0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1hf9 h HIS 6 Cb 0.05 -0.14 -0.04 0.00 2.57 0.00 0.00 27.41 29.85 1hf9 h HIS 6 CO 0.00 0.53 0.52 1.49 -3.07 0.00 0.00 177.93 177.41 1hf9 h GLU 7 N 0.45 1.17 0.32 5.12 4.81 -1.55 1.00 114.58 125.90 1hf9 h GLU 7 Ca 0.09 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1hf9 h GLU 7 Cb 0.38 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1hf9 h GLU 7 CO 0.02 0.81 -0.16 -0.91 -0.73 0.00 0.00 179.01 178.05 1hf9 h ASN 8 N 1.19 -0.37 0.00 1.04 4.21 -1.54 -2.50 115.58 117.61 1hf9 h ASN 8 Ca 0.31 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1hf9 h ASN 8 Cb -0.05 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1hf9 h ASN 8 CO -0.06 0.00 0.02 -0.08 -1.29 0.00 0.00 177.43 176.02 1hf9 h GLU 9 N -0.79 0.00 0.11 0.81 4.57 -1.31 -2.12 114.58 115.85 1hf9 h GLU 9 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1hf9 h GLU 9 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1hf9 h GLU 9 CO 0.07 0.00 -0.05 0.97 -1.18 0.00 0.00 179.01 178.82 1hf9 h ILE 10 N 0.00 1.09 0.00 2.32 2.10 -0.38 -1.96 117.51 120.69 1hf9 h ILE 10 Ca 0.00 -1.18 -0.03 0.00 1.08 0.00 0.00 64.86 64.73 1hf9 h ILE 10 Cb 0.04 1.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.55 1hf9 h ILE 10 CO 0.00 0.27 -0.14 0.28 -1.08 0.00 0.00 178.15 177.47 1hf9 h SER 11 N -0.73 0.00 -0.15 2.19 0.02 -1.02 -2.44 113.55 111.42 1hf9 h SER 11 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1hf9 h SER 11 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1hf9 h SER 11 CO 0.02 0.14 -0.47 -0.74 -1.14 0.00 0.00 176.83 174.65 1hf9 h HIS 12 N 0.00 0.76 -0.23 3.45 -0.00 -1.46 -2.81 115.15 114.86 1hf9 h HIS 12 Ca -0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 60.37 60.05 1hf9 h HIS 12 Cb 0.26 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1hf9 h HIS 12 CO 0.00 1.08 0.08 0.45 -0.00 0.00 0.00 177.93 179.54 1hf9 h HIS 13 N 0.23 0.32 0.47 5.26 -0.00 -0.91 0.34 115.15 120.86 1hf9 h HIS 13 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1hf9 h HIS 13 Cb 1.09 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1hf9 h HIS 13 CO 0.10 0.26 -0.23 0.00 -0.00 0.00 0.00 177.93 178.07 1hf9 h ALA 14 N 1.77 -0.64 0.00 2.45 0.00 -1.37 -0.45 119.26 121.02 1hf9 h ALA 14 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hf9 h ALA 14 Cb 0.09 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hf9 h ALA 14 CO -0.01 -0.72 0.00 0.87 0.00 0.00 0.00 179.25 179.39 1hf9 h LYS 15 N -0.91 0.00 0.09 0.00 1.57 -1.26 -1.70 116.57 114.36 1hf9 h LYS 15 Ca -0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 1hf9 h LYS 15 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1hf9 h LYS 15 CO 0.11 0.00 -1.35 1.49 -0.57 0.00 0.00 179.45 179.13 1hf9 h GLU 16 N 0.00 0.18 -0.05 3.15 4.57 -0.45 -1.78 114.58 120.19 1hf9 h GLU 16 Ca 0.00 -0.31 -0.21 0.00 -1.18 0.00 0.00 59.36 57.66 1hf9 h GLU 16 Cb 0.16 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1hf9 h GLU 16 CO 0.00 1.07 -0.84 -0.84 -1.18 0.00 0.00 179.01 177.22 1hf9 h ILE 17 N 0.05 1.36 0.01 2.32 -0.00 -0.17 -0.33 117.51 120.76 1hf9 h ILE 17 Ca -0.16 -2.24 -0.23 0.00 -0.00 0.00 0.00 64.86 62.23 1hf9 h ILE 17 Cb 1.95 2.23 0.02 0.00 -0.00 0.00 0.00 36.82 41.02 1hf9 h ILE 17 CO 0.16 0.68 -0.91 -0.33 -0.00 0.00 0.00 178.15 177.75 1hf9 h GLU 18 N 0.31 0.59 0.00 0.16 5.08 -1.57 -2.72 114.58 116.43 1hf9 h GLU 18 Ca -0.06 -0.66 -0.07 0.00 -1.00 0.00 0.00 59.36 57.57 1hf9 h GLU 18 Cb 1.45 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1hf9 h GLU 18 CO 0.15 1.26 -0.35 0.00 -1.00 0.00 0.00 179.01 179.07 1hf9 h ARG 19 N 0.20 0.00 -0.20 2.33 2.47 -1.37 -2.79 114.38 115.02 1hf9 h ARG 19 Ca -0.12 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.48 1hf9 h ARG 19 Cb 1.59 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1hf9 h ARG 19 CO 0.18 0.35 -0.34 -0.07 0.56 0.00 0.00 179.97 180.66 1hf9 h LEU 20 N 0.00 0.65 -0.09 3.04 -0.00 -1.04 -1.56 115.31 116.30 1hf9 h LEU 20 Ca -0.00 -0.53 0.01 0.00 -0.00 0.00 0.00 57.88 57.35 1hf9 h LEU 20 Cb 0.82 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1hf9 h LEU 20 CO 0.05 1.05 0.04 -0.61 -0.00 0.00 0.00 178.44 178.97 1hf9 h GLN 21 N 0.27 0.09 -0.34 1.13 4.15 -1.34 -1.38 115.11 117.69 1hf9 h GLN 21 Ca 0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1hf9 h GLN 21 Cb 0.92 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1hf9 h GLN 21 CO 0.08 0.06 0.04 -0.22 -1.93 0.00 0.00 178.83 176.85 1hf9 h LYS 22 N 0.09 0.51 -0.34 1.69 3.64 -1.52 -2.17 116.57 118.48 1hf9 h LYS 22 Ca 0.04 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1hf9 h LYS 22 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1hf9 h LYS 22 CO -0.03 0.51 -0.05 1.49 -2.27 0.00 0.00 179.45 179.10 1hf9 h GLU 23 N 0.50 0.56 -0.38 1.90 4.81 -0.68 -2.13 114.58 119.16 1hf9 h GLU 23 Ca 0.11 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1hf9 h GLU 23 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1hf9 h GLU 23 CO 0.00 0.62 -0.11 -0.84 -0.73 0.00 0.00 179.01 177.95 1hf9 h ILE 24 N 0.52 1.28 -0.85 2.32 -0.00 -0.63 -2.51 117.51 117.64 1hf9 h ILE 24 Ca 0.10 -1.21 0.01 0.00 -0.00 0.00 0.00 64.86 63.77 1hf9 h ILE 24 Cb 0.42 1.27 -0.04 0.00 -0.00 0.00 0.00 36.82 38.47 1hf9 h ILE 24 CO 0.02 0.40 0.56 -0.08 -0.00 0.00 0.00 178.15 179.05 1hf9 h GLU 25 N 0.55 1.11 -0.86 0.16 4.81 -1.19 -1.56 114.58 117.60 1hf9 h GLU 25 Ca 0.09 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1hf9 h GLU 25 Cb 0.64 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1hf9 h GLU 25 CO 0.04 0.73 0.56 0.00 -0.73 0.00 0.00 179.01 179.62 1hf9 h ARG 26 N 1.14 1.15 0.00 1.92 2.47 -1.23 -0.23 114.38 119.61 1hf9 h ARG 26 Ca 0.32 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 1hf9 h ARG 26 Cb -0.11 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 27.94 1hf9 h ARG 26 CO -0.07 0.77 -0.26 0.45 0.56 0.00 0.00 179.97 181.41 1hf9 h HIS 27 N 1.18 0.00 -0.02 3.04 3.86 -0.87 -2.09 115.15 120.25 1hf9 h HIS 27 Ca 0.32 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 1hf9 h HIS 27 Cb -0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1hf9 h HIS 27 CO 0.00 0.26 -0.65 0.87 0.86 0.00 0.00 177.93 179.28 1hf9 h LYS 28 N 0.00 0.07 -0.31 2.45 1.57 -0.27 -2.32 116.57 117.75 1hf9 h LYS 28 Ca -0.00 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1hf9 h LYS 28 Cb 0.52 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1hf9 h LYS 28 CO 0.03 0.69 -0.45 0.37 -0.57 0.00 0.00 179.45 179.53 1hf9 h GLN 29 N 0.05 0.86 -0.28 3.15 5.75 -0.69 -0.70 115.11 123.26 1hf9 h GLN 29 Ca -0.01 -0.50 -0.08 0.00 -0.15 0.00 0.00 58.65 57.91 1hf9 h GLN 29 Cb 1.15 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1hf9 h GLN 29 CO 0.09 1.14 -0.14 1.03 -2.65 0.00 0.00 178.83 178.30 1hf9 h SER 30 N 0.64 0.61 0.74 -0.69 0.87 -1.44 -1.53 113.55 112.74 1hf9 h SER 30 Ca 0.03 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 1hf9 h SER 30 Cb 1.05 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1hf9 h SER 30 CO 0.10 0.89 -0.30 -0.29 -0.53 0.00 0.00 176.83 176.70 1hf9 h ILE 31 N 0.32 0.79 0.06 2.23 6.09 -1.43 -1.73 117.51 123.85 1hf9 h ILE 31 Ca 0.06 -1.24 -0.24 0.00 -1.37 0.00 0.00 64.86 62.07 1hf9 h ILE 31 Cb 0.66 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.71 1hf9 h ILE 31 CO 0.04 0.29 -1.09 0.11 -3.07 0.00 0.00 178.15 174.44 1hf9 h LYS 32 N 0.00 0.17 0.02 2.19 1.57 -0.97 -2.17 116.57 117.37 1hf9 h LYS 32 Ca -0.00 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.30 1hf9 h LYS 32 Cb 0.75 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1hf9 h LYS 32 CO 0.04 1.10 -0.98 -0.22 -0.57 0.00 0.00 179.45 178.81 1hf9 h LYS 33 N 0.06 0.06 0.02 3.15 3.64 -1.10 -2.02 116.57 120.38 1hf9 h LYS 33 Ca -0.08 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.01 1hf9 h LYS 33 Cb 1.81 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.64 1hf9 h LYS 33 CO 0.17 0.99 -1.00 -0.07 -2.27 0.00 0.00 179.45 177.26 1hf9 h LEU 34 N 0.02 0.08 0.06 5.20 3.38 -1.38 -2.09 115.31 120.57 1hf9 h LEU 34 Ca -0.03 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 1hf9 h LEU 34 Cb 1.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1hf9 h LEU 34 CO 0.14 1.02 -1.18 0.11 0.09 0.00 0.00 178.44 178.62 1hf9 h LYS 35 N 0.02 0.31 -0.00 1.13 1.57 -1.43 -2.93 116.57 115.23 1hf9 h LYS 35 Ca -0.03 -0.47 -0.17 0.00 -1.87 0.00 0.00 60.65 58.11 1hf9 h LYS 35 Cb 1.73 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1hf9 h LYS 35 CO 0.14 1.20 -0.81 0.37 -0.57 0.00 0.00 179.45 179.77 1hf9 h GLN 36 N 0.11 0.06 0.00 3.15 5.75 -1.42 -3.10 115.11 119.66 1hf9 h GLN 36 Ca -0.12 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.22 1hf9 h GLN 36 Cb 1.88 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.44 1hf9 h GLN 36 CO 0.20 0.84 -0.43 1.03 -2.65 0.00 0.00 178.83 177.81 1hf9 h SER 37 N 0.04 0.00 0.19 -0.69 0.87 -1.43 -2.99 113.55 109.54 1hf9 h SER 37 Ca -0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1hf9 h SER 37 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1hf9 h SER 37 CO 0.11 0.43 -0.39 -0.08 -0.53 0.00 0.00 176.83 176.37 1hf9 h GLU 38 N 0.00 0.27 0.00 2.24 4.81 -1.43 -2.64 114.58 117.82 1hf9 h GLU 38 Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1hf9 h GLU 38 Cb 0.97 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1hf9 h GLU 38 CO 0.06 0.62 -0.12 0.22 -0.73 0.00 0.00 179.01 179.06 1hf9 h ASP 39 N 0.23 0.00 -4.09 1.04 1.82 -1.55 -3.49 116.42 110.38 1hf9 h ASP 39 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1hf9 h ASP 39 Cb 0.80 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1hf9 h ASP 39 CO 0.06 0.12 -0.59 -0.67 -1.61 0.00 0.00 179.24 176.55 1hf9 n ASP 40 N -3.95 -6.17 0.00 2.28 -0.08 -1.00 -5.16 116.55 102.48 1hf9 n ASP 40 Ca -0.02 0.81 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 1hf9 n ASP 40 Cb 0.21 -2.73 0.00 0.00 2.34 0.00 0.00 41.12 40.94 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65