#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 0.00 -4.97 0.00 4.32 -1.26 -5.13 117.00 109.96 1hf9 n LEU 2 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1hf9 n LEU 2 Cb 0.00 0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1hf9 n LEU 2 CO 0.00 -0.47 0.13 -0.54 -1.22 0.00 0.00 177.39 175.29 1hf9 s LYS 3 N -1.94 2.66 0.02 3.23 3.01 -1.26 -5.07 119.74 120.39 1hf9 s LYS 3 Ca 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 55.97 53.55 1hf9 s LYS 3 Cb 0.00 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 34.21 1hf9 s LYS 3 CO 0.00 -0.34 0.00 0.36 0.51 0.00 0.00 175.35 175.88 1hf9 n LYS 4 N -1.81 0.00 -0.26 1.68 2.85 -1.26 -4.65 118.16 114.71 1hf9 n LYS 4 Ca 0.07 0.00 0.26 0.00 -1.05 0.00 0.00 58.31 57.59 1hf9 n LYS 4 Cb 0.60 -0.44 0.62 0.00 -0.65 0.00 0.00 35.03 35.16 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1hf9 h HIS 5 N 0.00 0.30 0.64 5.58 2.07 -2.00 -1.07 115.15 120.67 1hf9 h HIS 5 Ca 0.00 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.50 1hf9 h HIS 5 Cb 0.75 -0.09 0.01 0.00 2.57 0.00 0.00 27.41 30.65 1hf9 h HIS 5 CO 0.00 0.05 -0.31 0.45 -3.07 0.00 0.00 177.93 175.05 1hf9 h HIS 6 N 0.20 -0.80 -0.44 6.12 3.86 -2.00 -2.24 115.15 119.85 1hf9 h HIS 6 Ca 0.50 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.82 1hf9 h HIS 6 Cb 1.62 0.26 -0.02 0.00 1.06 0.00 0.00 27.41 30.34 1hf9 h HIS 6 CO -0.00 -0.46 0.56 0.93 0.86 0.00 0.00 177.93 179.82 1hf9 h GLU 7 N -1.00 0.00 0.56 2.45 5.08 -1.47 0.97 114.58 121.17 1hf9 h GLU 7 Ca -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 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 0.14 0.00 -0.27 -0.91 -1.00 0.00 0.00 179.01 176.98 1hf9 h ASN 8 N 0.00 -0.64 0.46 1.42 4.21 -1.03 -0.09 115.58 119.92 1hf9 h ASN 8 Ca 0.21 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1hf9 h ASN 8 Cb 1.32 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 1hf9 h ASN 8 CO -0.00 -0.26 0.00 -0.62 -1.29 0.00 0.00 177.43 175.26 1hf9 n GLU 9 N -5.11 0.01 0.01 0.81 4.71 -0.61 -1.95 120.64 118.50 1hf9 n GLU 9 Ca -0.09 0.26 -0.06 0.00 -0.01 0.00 0.00 57.16 57.26 1hf9 n GLU 9 Cb 0.30 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 29.11 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 0.81 0.00 -3.67 2.04 -0.74 -2.67 117.51 113.29 1hf9 h ILE 10 Ca 0.00 -2.54 -0.22 0.00 1.00 0.00 0.00 64.86 63.11 1hf9 h ILE 10 Cb 0.23 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1hf9 h ILE 10 CO 0.00 0.46 -1.06 -1.28 0.00 0.00 0.00 178.15 176.27 1hf9 h SER 11 N 0.00 0.01 0.06 1.72 0.87 -0.33 -1.58 113.55 114.29 1hf9 h SER 11 Ca -0.22 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 1hf9 h SER 11 Cb 1.85 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.82 1hf9 h SER 11 CO 0.07 1.01 -0.51 -0.74 -0.53 0.00 0.00 176.83 176.13 1hf9 h HIS 12 N 0.00 0.39 0.00 2.24 -0.00 -1.58 -2.65 115.15 113.55 1hf9 h HIS 12 Ca -0.03 -0.26 -0.06 0.00 -0.00 0.00 0.00 60.37 60.02 1hf9 h HIS 12 Cb 1.79 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 29.17 1hf9 h HIS 12 CO 0.00 1.15 -0.28 0.45 -0.00 0.00 0.00 177.93 179.25 1hf9 h HIS 13 N -0.48 0.00 -0.17 5.26 -0.00 -1.58 -2.23 115.15 115.95 1hf9 h HIS 13 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.19 1hf9 h HIS 13 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.75 1hf9 h HIS 13 CO 0.20 0.28 -0.26 0.00 -0.00 0.00 0.00 177.93 178.16 1hf9 h ALA 14 N 1.72 0.26 0.00 2.45 0.00 -1.33 -1.90 119.26 120.47 1hf9 h ALA 14 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1hf9 h ALA 14 Cb 0.73 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1hf9 h ALA 14 CO 0.04 0.25 -0.34 -0.22 0.00 0.00 0.00 179.25 178.97 1hf9 h LYS 15 N 0.12 0.00 -0.18 0.00 3.64 -1.35 -2.22 116.57 116.58 1hf9 h LYS 15 Ca 0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1hf9 h LYS 15 Cb 0.83 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1hf9 h LYS 15 CO 0.06 0.34 -0.13 0.93 -2.27 0.00 0.00 179.45 178.38 1hf9 h GLU 16 N 0.00 0.40 -0.61 1.90 3.07 -1.26 -1.60 114.58 116.48 1hf9 h GLU 16 Ca -0.00 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 1hf9 h GLU 16 Cb 0.68 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1hf9 h GLU 16 CO 0.04 0.74 0.07 -0.84 -1.40 0.00 0.00 179.01 177.63 1hf9 h ILE 17 N 0.06 1.26 0.00 3.13 -0.00 -1.19 -2.22 117.51 118.55 1hf9 h ILE 17 Ca 0.03 -1.05 -0.04 0.00 -0.00 0.00 0.00 64.86 63.81 1hf9 h ILE 17 Cb 0.65 0.75 -0.01 0.00 -0.00 0.00 0.00 36.82 38.21 1hf9 h ILE 17 CO 0.04 0.38 -0.18 -0.08 -0.00 0.00 0.00 178.15 178.31 1hf9 h GLU 18 N 0.93 0.00 -0.06 0.16 4.81 -1.39 -1.78 114.58 117.25 1hf9 h GLU 18 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1hf9 h GLU 18 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1hf9 h GLU 18 CO 0.02 0.18 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.33 1hf9 h ARG 19 N 0.00 0.14 0.00 1.92 2.43 -0.68 -1.03 114.38 117.16 1hf9 h ARG 19 Ca -0.00 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1hf9 h ARG 19 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1hf9 h ARG 19 CO 0.02 0.59 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.70 1hf9 h LEU 20 N -0.31 0.00 -0.23 3.80 -0.00 -1.31 -2.68 115.31 114.58 1hf9 h LEU 20 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.70 1hf9 h LEU 20 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1hf9 h LEU 20 CO 0.01 0.30 -0.89 -0.61 -0.00 0.00 0.00 178.44 177.25 1hf9 h GLN 21 N 0.00 0.03 -0.27 1.13 4.15 -1.27 -2.70 115.11 116.18 1hf9 h GLN 21 Ca -0.00 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1hf9 h GLN 21 Cb 0.79 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1hf9 h GLN 21 CO 0.04 0.90 -0.36 -0.22 -1.93 0.00 0.00 178.83 177.26 1hf9 h LYS 22 N 0.02 0.72 -0.22 1.69 3.64 -0.91 -1.67 116.57 119.83 1hf9 h LYS 22 Ca -0.02 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1hf9 h LYS 22 Cb 1.57 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 1hf9 h LYS 22 CO 0.12 1.03 0.06 1.49 -2.27 0.00 0.00 179.45 179.89 1hf9 h GLU 23 N 0.45 0.35 0.00 1.90 4.57 -1.52 -2.35 114.58 117.99 1hf9 h GLU 23 Ca 0.03 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1hf9 h GLU 23 Cb 0.94 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1hf9 h GLU 23 CO 0.08 0.45 -0.15 0.97 -1.18 0.00 0.00 179.01 179.19 1hf9 h ILE 24 N 0.19 0.89 -0.17 2.32 -0.00 -1.49 -2.32 117.51 116.92 1hf9 h ILE 24 Ca 0.07 -0.54 -0.01 0.00 -0.00 0.00 0.00 64.86 64.38 1hf9 h ILE 24 Cb 0.25 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.37 1hf9 h ILE 24 CO -0.00 0.14 0.06 -0.08 -0.00 0.00 0.00 178.15 178.27 1hf9 h GLU 25 N 0.00 0.26 -0.72 2.19 4.81 -0.78 0.15 114.58 120.49 1hf9 h GLU 25 Ca -0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1hf9 h GLU 25 Cb 0.30 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1hf9 h GLU 25 CO 0.02 0.36 0.25 -0.09 -0.73 0.00 0.00 179.01 178.82 1hf9 h ARG 26 N 0.10 1.09 0.00 1.92 2.43 -1.08 -1.54 114.38 117.31 1hf9 h ARG 26 Ca 0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1hf9 h ARG 26 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1hf9 h ARG 26 CO -0.00 0.92 0.00 1.25 -1.51 0.00 0.00 179.97 180.63 1hf9 h HIS 27 N 1.04 0.00 0.04 2.20 2.76 -1.25 -2.71 115.15 117.23 1hf9 h HIS 27 Ca 0.23 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.18 1hf9 h HIS 27 Cb 0.26 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1hf9 h HIS 27 CO 0.02 0.00 -1.00 -0.22 -1.30 0.00 0.00 177.93 175.43 1hf9 h LYS 28 N 0.00 0.23 -0.25 5.26 3.64 0.28 -2.13 116.57 123.60 1hf9 h LYS 28 Ca 0.00 -0.29 -0.19 0.00 -1.27 0.00 0.00 60.65 58.89 1hf9 h LYS 28 Cb 0.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1hf9 h LYS 28 CO 0.00 1.06 -0.60 0.37 -2.27 0.00 0.00 179.45 178.00 1hf9 h GLN 29 N 0.10 0.82 -0.23 1.90 4.15 -1.10 -0.33 115.11 120.42 1hf9 h GLN 29 Ca -0.07 -0.55 -0.11 0.00 0.77 0.00 0.00 58.65 58.69 1hf9 h GLN 29 Cb 1.68 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.44 1hf9 h GLN 29 CO 0.16 1.18 -0.27 0.66 -1.93 0.00 0.00 178.83 178.63 1hf9 h SER 30 N 0.61 0.63 0.94 -0.69 4.64 -1.55 -1.66 113.55 116.48 1hf9 h SER 30 Ca -0.00 -0.49 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1hf9 h SER 30 Cb 1.21 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1hf9 h SER 30 CO 0.13 1.00 -0.27 -0.29 -0.87 0.00 0.00 176.83 176.52 1hf9 h ILE 31 N 0.28 0.65 0.08 0.95 6.09 -1.41 -2.41 117.51 121.73 1hf9 h ILE 31 Ca 0.03 -1.27 -0.25 0.00 -1.37 0.00 0.00 64.86 62.00 1hf9 h ILE 31 Cb 0.84 1.84 0.00 0.00 0.47 0.00 0.00 36.82 39.97 1hf9 h ILE 31 CO 0.06 0.27 -1.11 0.50 -3.07 0.00 0.00 178.15 174.81 1hf9 h LYS 32 N 0.00 0.30 -0.06 2.19 3.64 -0.95 -2.65 116.57 119.04 1hf9 h LYS 32 Ca -0.00 -0.43 -0.15 0.00 -1.27 0.00 0.00 60.65 58.80 1hf9 h LYS 32 Cb 0.82 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1hf9 h LYS 32 CO 0.04 1.15 -0.65 -0.22 -2.27 0.00 0.00 179.45 177.50 1hf9 h LYS 33 N 0.12 0.24 -0.21 1.90 3.64 -1.16 -1.13 116.57 119.98 1hf9 h LYS 33 Ca -0.11 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 58.99 1hf9 h LYS 33 Cb 1.80 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1hf9 h LYS 33 CO 0.18 0.80 -0.29 1.25 -2.27 0.00 0.00 179.45 179.13 1hf9 h LEU 34 N 0.17 0.61 -0.91 5.20 7.12 -1.47 -1.87 115.31 124.18 1hf9 h LEU 34 Ca -0.01 -0.51 -0.08 0.00 0.13 0.00 0.00 57.88 57.41 1hf9 h LEU 34 Cb 1.17 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.11 1hf9 h LEU 34 CO 0.10 1.00 -0.39 0.50 -0.13 0.00 0.00 178.44 179.52 1hf9 h LYS 35 N 0.24 0.00 0.00 1.25 3.64 -1.46 -2.91 116.57 117.33 1hf9 h LYS 35 Ca 0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1hf9 h LYS 35 Cb 0.86 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1hf9 h LYS 35 CO 0.07 0.39 -0.72 0.37 -2.27 0.00 0.00 179.45 177.29 1hf9 h GLN 36 N 0.00 0.00 0.00 1.90 4.15 -1.11 -3.11 115.11 116.94 1hf9 h GLN 36 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1hf9 h GLN 36 Cb 0.92 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 1hf9 h GLN 36 CO 0.05 0.72 -0.35 0.77 -1.93 0.00 0.00 178.83 178.09 1hf9 h SER 37 N 0.00 0.00 1.16 -0.69 0.02 -1.14 0.32 113.55 113.22 1hf9 h SER 37 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1hf9 h SER 37 Cb 1.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1hf9 h SER 37 CO 0.09 0.35 -0.51 -0.08 -1.14 0.00 0.00 176.83 175.54 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.22 -1.50 -3.26 114.58 117.49 1hf9 h GLU 38 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1hf9 h GLU 38 Cb 0.84 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1hf9 h GLU 38 CO 0.05 0.51 -0.46 -3.47 -2.18 0.00 0.00 179.01 173.45 1hf9 n ASP 39 N -3.37 1.64 -1.22 1.04 2.03 -1.07 -5.11 116.55 110.49 1hf9 n ASP 39 Ca 0.01 -3.30 0.16 0.00 0.52 0.00 0.00 54.79 52.18 1hf9 n ASP 39 Cb 0.66 -0.45 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 1hf9 n ASP 39 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hf9 n ASP 40 N -0.88 -7.32 0.00 1.67 8.00 0.11 -5.01 116.55 113.12 1hf9 n ASP 40 Ca 0.15 0.78 0.14 0.00 0.71 0.00 0.00 54.79 56.57 1hf9 n ASP 40 Cb 0.75 -3.89 0.84 0.00 -0.02 0.00 0.00 41.12 38.79 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91