#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 -1.59 0.00 7.94 -1.26 -5.16 117.00 116.93 1hf9 n LEU 2 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 1hf9 n LEU 2 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1hf9 n LEU 2 CO 0.00 -0.19 -0.50 0.29 -1.11 0.00 0.00 177.39 175.88 1hf9 n LYS 3 N -1.56 -4.16 -0.24 1.96 4.01 -1.26 -4.88 118.16 112.04 1hf9 n LYS 3 Ca 0.00 3.24 0.06 0.00 -0.51 0.00 0.00 58.31 61.10 1hf9 n LYS 3 Cb 0.00 -4.07 0.09 0.00 -0.51 0.00 0.00 35.03 30.54 1hf9 n LYS 3 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1hf9 n LYS 4 N -2.70 0.81 -0.07 1.97 2.85 -1.26 -4.74 118.16 115.01 1hf9 n LYS 4 Ca -0.00 -2.00 -0.20 0.00 -1.05 0.00 0.00 58.31 55.05 1hf9 n LYS 4 Cb 0.50 -1.13 -0.13 0.00 -0.65 0.00 0.00 35.03 33.63 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 -0.90 0.59 -0.23 5.58 8.25 -1.26 -4.01 115.22 123.24 1hf9 n HIS 5 Ca 0.10 0.13 -0.07 0.00 -0.26 0.00 0.00 57.72 57.62 1hf9 n HIS 5 Cb 0.66 -1.08 0.04 0.00 1.12 0.00 0.00 29.99 30.74 1hf9 n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hf9 h HIS 6 N -0.03 0.97 0.00 4.41 3.86 -1.92 -1.52 115.15 120.92 1hf9 h HIS 6 Ca -0.51 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 58.63 1hf9 h HIS 6 Cb 1.93 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 30.11 1hf9 h HIS 6 CO 0.05 0.76 -0.03 1.05 0.86 0.00 0.00 177.93 180.61 1hf9 h GLU 7 N 0.91 0.00 0.43 2.45 4.11 -1.86 0.22 114.58 120.83 1hf9 h GLU 7 Ca 0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 1hf9 h GLU 7 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1hf9 h GLU 7 CO -0.02 0.03 -0.21 -0.91 0.07 0.00 0.00 179.01 177.98 1hf9 h ASN 8 N 0.00 -0.49 0.51 3.06 2.35 -1.42 0.29 115.58 119.89 1hf9 h ASN 8 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1hf9 h ASN 8 Cb 0.10 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1hf9 h ASN 8 CO 0.00 -0.12 0.00 -0.62 -1.65 0.00 0.00 177.43 175.05 1hf9 n GLU 9 N -4.82 0.03 0.02 0.81 4.71 -1.07 -1.91 120.64 118.41 1hf9 n GLU 9 Ca -0.07 0.29 -0.02 0.00 -0.01 0.00 0.00 57.16 57.35 1hf9 n GLU 9 Cb 0.23 -1.56 -0.10 0.00 -1.01 0.00 0.00 31.44 29.00 1hf9 n GLU 9 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1hf9 n ILE 10 N -1.62 1.30 0.06 -3.67 5.41 0.75 -2.46 119.36 119.13 1hf9 n ILE 10 Ca 0.03 -0.72 -0.06 0.00 1.00 0.00 0.00 62.75 63.00 1hf9 n ILE 10 Cb 0.17 -0.82 -0.10 0.00 -0.71 0.00 0.00 39.64 38.18 1hf9 n ILE 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1hf9 h SER 11 N 0.00 0.00 0.03 4.38 0.02 -0.22 -1.35 113.55 116.41 1hf9 h SER 11 Ca -0.20 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1hf9 h SER 11 Cb 1.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.24 1hf9 h SER 11 CO 0.05 0.93 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.73 1hf9 h HIS 12 N 0.00 0.14 0.00 3.45 -0.00 -1.57 -2.65 115.15 114.52 1hf9 h HIS 12 Ca -0.04 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.17 1hf9 h HIS 12 Cb 1.74 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 29.13 1hf9 h HIS 12 CO 0.00 1.05 -0.30 0.45 -0.00 0.00 0.00 177.93 179.13 1hf9 h HIS 13 N -0.81 0.00 -0.21 5.26 -0.00 -1.60 -1.86 115.15 115.94 1hf9 h HIS 13 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 1hf9 h HIS 13 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 1hf9 h HIS 13 CO 0.25 0.30 -0.07 0.00 -0.00 0.00 0.00 177.93 178.41 1hf9 h ALA 14 N 1.70 0.29 0.00 2.45 0.00 -1.30 -1.51 119.26 120.89 1hf9 h ALA 14 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1hf9 h ALA 14 Cb 0.65 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hf9 h ALA 14 CO 0.04 0.09 -0.02 -0.22 0.00 0.00 0.00 179.25 179.14 1hf9 h LYS 15 N 0.12 0.00 0.15 0.00 3.64 -1.26 -2.05 116.57 117.17 1hf9 h LYS 15 Ca 0.05 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.15 1hf9 h LYS 15 Cb 0.54 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1hf9 h LYS 15 CO 0.02 0.02 -1.28 0.93 -2.27 0.00 0.00 179.45 176.87 1hf9 h GLU 16 N 0.00 0.31 0.09 1.90 5.08 -1.03 -0.84 114.58 120.08 1hf9 h GLU 16 Ca -0.00 -0.53 -0.25 0.00 -1.00 0.00 0.00 59.36 57.58 1hf9 h GLU 16 Cb 0.56 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1hf9 h GLU 16 CO 0.00 1.25 -1.15 0.97 -1.00 0.00 0.00 179.01 179.08 1hf9 h ILE 17 N 0.08 1.55 0.02 3.13 -0.00 -1.13 -1.85 117.51 119.32 1hf9 h ILE 17 Ca -0.15 -3.10 -0.22 0.00 -0.00 0.00 0.00 64.86 61.39 1hf9 h ILE 17 Cb 2.00 2.88 -0.02 0.00 -0.00 0.00 0.00 36.82 41.67 1hf9 h ILE 17 CO 0.21 0.90 -1.05 -0.33 -0.00 0.00 0.00 178.15 177.89 1hf9 h GLU 18 N 0.06 0.05 0.04 2.19 4.39 -1.47 -2.32 114.58 117.52 1hf9 h GLU 18 Ca -0.10 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.25 1hf9 h GLU 18 Cb 1.88 0.03 0.02 0.00 -0.10 0.00 0.00 28.75 30.58 1hf9 h GLU 18 CO 0.18 1.03 -1.10 -0.09 -1.16 0.00 0.00 179.01 177.87 1hf9 h ARG 19 N 0.01 0.61 -0.11 2.33 1.12 -1.21 -2.67 114.38 114.46 1hf9 h ARG 19 Ca -0.03 -0.71 -0.15 0.00 -1.11 0.00 0.00 59.98 57.98 1hf9 h ARG 19 Cb 1.81 0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 31.97 1hf9 h ARG 19 CO 0.14 1.30 -0.56 -0.07 -3.11 0.00 0.00 179.97 177.67 1hf9 h LEU 20 N 0.31 0.39 -0.33 3.80 3.38 -1.41 -2.74 115.31 118.72 1hf9 h LEU 20 Ca -0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1hf9 h LEU 20 Cb 1.76 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1hf9 h LEU 20 CO 0.21 0.87 0.12 1.56 0.09 0.00 0.00 178.44 181.29 1hf9 h GLN 21 N 0.27 0.50 -0.82 1.13 4.20 -1.43 -2.02 115.11 116.94 1hf9 h GLN 21 Ca 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1hf9 h GLN 21 Cb 1.07 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1hf9 h GLN 21 CO 0.09 0.52 0.45 1.57 -0.67 0.00 0.00 178.83 180.79 1hf9 h LYS 22 N 0.38 1.15 -0.73 1.46 2.10 -1.43 -2.17 116.57 117.34 1hf9 h LYS 22 Ca 0.11 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1hf9 h LYS 22 Cb 0.22 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1hf9 h LYS 22 CO -0.01 0.85 0.48 0.93 -2.00 0.00 0.00 179.45 179.71 1hf9 h GLU 23 N 1.15 0.95 -0.14 0.07 5.08 -1.25 -1.33 114.58 119.10 1hf9 h GLU 23 Ca 0.29 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1hf9 h GLU 23 Cb 0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1hf9 h GLU 23 CO -0.05 0.63 -0.09 -0.84 -1.00 0.00 0.00 179.01 177.66 1hf9 h ILE 24 N 0.97 1.15 -0.58 3.13 -0.00 -0.92 -2.29 117.51 118.98 1hf9 h ILE 24 Ca 0.27 -0.66 -0.01 0.00 -0.00 0.00 0.00 64.86 64.46 1hf9 h ILE 24 Cb -0.09 1.15 -0.03 0.00 -0.00 0.00 0.00 36.82 37.86 1hf9 h ILE 24 CO -0.07 0.21 0.32 -0.08 -0.00 0.00 0.00 178.15 178.52 1hf9 h GLU 25 N 0.21 0.80 0.02 0.16 4.81 -0.63 0.75 114.58 120.70 1hf9 h GLU 25 Ca 0.05 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1hf9 h GLU 25 Cb 0.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1hf9 h GLU 25 CO 0.02 0.61 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.77 1hf9 h ARG 26 N 0.78 -0.10 0.00 1.92 2.43 -1.02 -0.44 114.38 117.95 1hf9 h ARG 26 Ca 0.20 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1hf9 h ARG 26 Cb 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1hf9 h ARG 26 CO -0.03 -0.07 0.00 0.45 -1.51 0.00 0.00 179.97 178.81 1hf9 h HIS 27 N -0.11 0.00 0.03 2.20 3.86 -1.25 -1.89 115.15 117.99 1hf9 h HIS 27 Ca 0.02 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 1hf9 h HIS 27 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1hf9 h HIS 27 CO -0.12 0.00 -0.97 -0.22 0.86 0.00 0.00 177.93 177.48 1hf9 h LYS 28 N 0.00 0.16 -0.19 2.45 3.64 0.70 -2.46 116.57 120.86 1hf9 h LYS 28 Ca 0.00 -0.21 -0.21 0.00 -1.27 0.00 0.00 60.65 58.96 1hf9 h LYS 28 Cb 0.27 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1hf9 h LYS 28 CO 0.00 1.01 -0.71 0.37 -2.27 0.00 0.00 179.45 177.85 1hf9 h GLN 29 N 0.07 0.81 -0.39 1.90 4.15 -0.38 -0.76 115.11 120.51 1hf9 h GLN 29 Ca -0.05 -0.61 -0.15 0.00 0.77 0.00 0.00 58.65 58.60 1hf9 h GLN 29 Cb 1.65 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 1hf9 h GLN 29 CO 0.15 1.23 -0.36 0.77 -1.93 0.00 0.00 178.83 178.68 1hf9 h SER 30 N 0.57 0.99 0.97 -0.69 0.02 -1.55 -1.32 113.55 112.54 1hf9 h SER 30 Ca -0.03 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 1hf9 h SER 30 Cb 1.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1hf9 h SER 30 CO 0.15 1.24 -0.48 -0.29 -1.14 0.00 0.00 176.83 176.30 1hf9 h ILE 31 N 0.77 1.02 0.00 3.27 6.09 -1.45 -2.41 117.51 124.79 1hf9 h ILE 31 Ca 0.07 -1.90 -0.21 0.00 -1.37 0.00 0.00 64.86 61.45 1hf9 h ILE 31 Cb 0.95 2.14 -0.03 0.00 0.47 0.00 0.00 36.82 40.35 1hf9 h ILE 31 CO 0.09 0.47 -0.98 0.50 -3.07 0.00 0.00 178.15 175.17 1hf9 h LYS 32 N 0.00 0.00 0.04 2.19 3.64 -1.00 -2.36 116.57 119.09 1hf9 h LYS 32 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1hf9 h LYS 32 Cb 1.10 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1hf9 h LYS 32 CO 0.06 0.98 -1.06 -0.22 -2.27 0.00 0.00 179.45 176.94 1hf9 h LYS 33 N 0.00 0.46 -0.12 1.90 1.63 -1.17 -0.84 116.57 118.43 1hf9 h LYS 33 Ca -0.01 -0.55 -0.21 0.00 -0.85 0.00 0.00 60.65 59.03 1hf9 h LYS 33 Cb 1.75 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 1hf9 h LYS 33 CO 0.13 1.20 -0.76 1.25 -3.45 0.00 0.00 179.45 177.81 1hf9 h LEU 34 N 0.23 0.74 -0.27 5.20 7.12 -1.50 -1.80 115.31 125.03 1hf9 h LEU 34 Ca -0.11 -0.49 -0.14 0.00 0.13 0.00 0.00 57.88 57.27 1hf9 h LEU 34 Cb 1.72 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.61 1hf9 h LEU 34 CO 0.19 1.26 -0.66 0.50 -0.13 0.00 0.00 178.44 179.60 1hf9 h LYS 35 N 0.42 0.00 0.00 1.25 1.63 -1.48 -3.14 116.57 115.25 1hf9 h LYS 35 Ca -0.04 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 1hf9 h LYS 35 Cb 1.37 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 1hf9 h LYS 35 CO 0.15 0.66 -0.60 1.96 -3.45 0.00 0.00 179.45 178.16 1hf9 h GLN 36 N 0.00 0.00 -0.02 1.90 4.20 -1.11 -3.19 115.11 116.88 1hf9 h GLN 36 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1hf9 h GLN 36 Cb 1.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1hf9 h GLN 36 CO 0.09 0.60 -0.66 0.66 -0.67 0.00 0.00 178.83 178.85 1hf9 h SER 37 N 0.00 0.11 0.89 1.46 4.64 -1.28 1.20 113.55 120.58 1hf9 h SER 37 Ca -0.01 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 1hf9 h SER 37 Cb 1.38 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1hf9 h SER 37 CO 0.08 0.74 -0.42 -0.08 -0.87 0.00 0.00 176.83 176.28 1hf9 h GLU 38 N 0.07 0.00 -0.48 4.77 4.57 -1.54 -3.30 114.58 118.66 1hf9 h GLU 38 Ca -0.01 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.90 1hf9 h GLU 38 Cb 1.17 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.36 1hf9 h GLU 38 CO 0.09 0.42 -1.10 -3.47 -1.18 0.00 0.00 179.01 173.77 1hf9 n ASP 39 N -3.52 1.84 -4.76 1.04 -0.08 -1.14 -5.11 116.55 104.82 1hf9 n ASP 39 Ca -0.00 -2.19 -0.37 0.00 -1.51 0.00 0.00 54.79 50.72 1hf9 n ASP 39 Cb 0.55 -0.47 0.03 0.00 2.34 0.00 0.00 41.12 43.56 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 -3.76 5.42 0.00 1.67 2.15 0.41 -4.93 116.67 117.63 1hf9 s ASP 40 Ca 0.29 2.45 0.18 0.00 0.43 0.00 0.00 52.55 55.90 1hf9 s ASP 40 Cb 0.33 -2.61 0.15 0.00 -0.30 0.00 0.00 42.92 40.49 1hf9 s ASP 40 CO -0.03 -1.44 1.08 -0.67 -0.17 0.00 0.00 175.17 173.94