#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr n ASP 7 N 0.00 0.00 -3.60 1.20 8.00 -1.26 -4.44 116.55 116.45 1otr n ASP 7 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1otr n ASP 7 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1otr n ASP 7 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1otr n ASP 8 N 1.74 -4.77 0.27 -2.24 2.03 -1.26 -4.87 116.55 107.44 1otr n ASP 8 Ca 0.00 -0.61 0.15 0.00 0.52 0.00 0.00 54.79 54.85 1otr n ASP 8 Cb 0.00 -4.87 0.74 0.00 -0.72 0.00 0.00 41.12 36.28 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1otr h HIS 9 N -2.38 0.00 -1.00 -0.67 2.07 -1.90 -2.99 115.15 108.27 1otr h HIS 9 Ca -0.58 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.15 1otr h HIS 9 Cb 1.36 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.23 1otr h HIS 9 CO 0.49 0.09 0.61 1.05 -3.07 0.00 0.00 177.93 177.11 1otr h GLU 10 N 0.00 0.64 -0.51 5.12 4.11 -1.94 0.53 114.58 122.54 1otr h GLU 10 Ca -0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1otr h GLU 10 Cb 0.40 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1otr h GLU 10 CO 0.01 0.43 0.18 1.03 0.07 0.00 0.00 179.01 180.73 1otr h SER 11 N 0.66 0.72 -0.51 3.06 0.87 -1.92 -0.91 113.55 115.52 1otr h SER 11 Ca 0.59 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1otr h SER 11 Cb 1.06 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1otr h SER 11 CO -0.39 0.71 0.22 0.11 -0.53 0.00 0.00 176.83 176.96 1otr h LYS 12 N 0.68 0.80 -0.92 2.24 1.79 -0.54 -1.21 116.57 119.41 1otr h LYS 12 Ca 0.17 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1otr h LYS 12 Cb 0.24 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1otr h LYS 12 CO -0.01 0.65 0.56 1.25 -1.08 0.00 0.00 179.45 180.83 1otr h LEU 13 N 0.79 1.10 -0.72 2.94 5.85 0.71 -0.82 115.31 125.15 1otr h LEU 13 Ca 0.19 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1otr h LEU 13 Cb 0.15 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1otr h LEU 13 CO -0.02 0.83 0.47 0.28 -0.34 0.00 0.00 178.44 179.67 1otr h SER 14 N 1.26 0.79 -0.56 1.25 0.02 -0.02 0.04 113.55 116.33 1otr h SER 14 Ca 0.33 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.36 1otr h SER 14 Cb -0.07 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.21 1otr h SER 14 CO -0.06 0.56 0.17 0.40 -1.14 0.00 0.00 176.83 176.76 1otr h ILE 15 N 0.94 0.74 -0.70 3.27 1.08 -0.47 0.95 117.51 123.33 1otr h ILE 15 Ca 0.28 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1otr h ILE 15 Cb -0.06 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 1otr h ILE 15 CO -0.08 0.06 0.42 -0.07 -0.69 0.00 0.00 178.15 177.79 1otr h LEU 16 N 0.33 0.83 -0.07 1.44 3.38 -0.18 0.82 115.31 121.86 1otr h LEU 16 Ca 0.28 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1otr h LEU 16 Cb 0.36 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1otr h LEU 16 CO -0.32 0.64 -0.13 0.24 0.09 0.00 0.00 178.44 178.96 1otr h MET 17 N 0.96 -0.18 0.00 1.13 2.86 1.00 0.19 114.93 120.89 1otr h MET 17 Ca 0.25 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1otr h MET 17 Cb -0.04 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1otr h MET 17 CO -0.05 -0.12 -0.76 0.22 1.06 0.00 0.00 176.91 177.26 1otr h ASP 18 N -0.19 0.00 -0.47 1.22 3.58 -1.11 -2.73 116.42 116.72 1otr h ASP 18 Ca 0.07 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 1otr h ASP 18 Cb 0.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1otr h ASP 18 CO -0.18 0.61 0.01 -0.03 -2.88 0.00 0.00 179.24 176.78 1otr h MET 19 N 0.00 0.89 -2.03 0.28 4.05 0.11 -3.34 114.93 114.89 1otr h MET 19 Ca -0.04 -0.25 -0.56 0.00 -0.28 0.00 0.00 59.70 58.57 1otr h MET 19 Cb 1.50 -0.10 -0.40 0.00 -0.80 0.00 0.00 31.60 31.81 1otr h MET 19 CO 0.07 0.88 -1.03 1.19 0.23 0.00 0.00 176.91 178.25 1otr n PHE 20 N -4.20 0.28 -0.34 1.39 3.72 0.62 -4.97 117.46 113.96 1otr n PHE 20 Ca 0.03 -3.66 0.13 0.00 -0.05 0.00 0.00 57.45 53.89 1otr n PHE 20 Cb 0.31 -0.39 0.31 0.00 -0.94 0.00 0.00 39.48 38.78 1otr n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1otr h PRO 21 N 3.98 0.64 -0.47 -1.08 0.13 -1.61 -1.09 132.00 132.50 1otr h PRO 21 Ca 0.09 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1otr h PRO 21 Cb 0.85 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 1otr h PRO 21 CO 0.52 0.43 0.24 0.00 -0.23 0.00 0.00 178.00 178.95 1otr h ALA 22 N 1.65 0.60 -2.87 -0.56 0.00 -1.93 -3.43 119.26 112.72 1otr h ALA 22 Ca 0.57 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.85 1otr h ALA 22 Cb 0.93 -0.19 0.07 0.00 0.00 0.00 0.00 17.79 18.61 1otr h ALA 22 CO -0.41 0.15 0.66 0.42 0.00 0.00 0.00 179.25 180.06 1otr s ILE 23 N -5.76 2.67 0.49 0.00 1.01 -0.41 -4.97 121.20 114.23 1otr s ILE 23 Ca -0.13 0.67 -0.23 0.00 0.00 0.00 0.00 60.65 60.95 1otr s ILE 23 Cb 0.11 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1otr s ILE 23 CO 0.75 0.15 1.32 -0.55 0.00 0.00 0.00 174.94 176.61 1otr s SER 24 N -0.37 5.73 0.15 3.58 0.15 -1.26 -4.91 113.70 116.76 1otr s SER 24 Ca 0.50 2.67 -0.17 0.00 0.70 0.00 0.00 55.95 59.65 1otr s SER 24 Cb -0.40 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.28 1otr s SER 24 CO 0.53 -1.25 1.78 0.50 1.20 0.00 0.00 173.24 176.00 1otr h LYS 25 N 1.92 0.37 -0.69 5.44 3.64 -1.93 -2.17 116.57 123.15 1otr h LYS 25 Ca -0.50 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1otr h LYS 25 Cb 1.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1otr h LYS 25 CO 0.59 0.24 0.39 0.77 -2.27 0.00 0.00 179.45 179.18 1otr h SER 26 N 0.38 0.59 -0.57 4.20 0.02 -2.00 -1.55 113.55 114.62 1otr h SER 26 Ca 0.13 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1otr h SER 26 Cb 0.01 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1otr h SER 26 CO -0.07 0.38 0.35 0.50 -1.14 0.00 0.00 176.83 176.85 1otr h LYS 27 N 0.72 0.69 -0.73 3.45 3.64 -1.85 -1.56 116.57 120.93 1otr h LYS 27 Ca 0.31 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1otr h LYS 27 Cb 0.18 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1otr h LYS 27 CO -0.18 0.45 0.48 -0.07 -2.27 0.00 0.00 179.45 177.87 1otr h LEU 28 N 0.71 0.82 -0.71 5.20 3.38 -0.74 -2.04 115.31 121.93 1otr h LEU 28 Ca 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1otr h LEU 28 Cb 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1otr h LEU 28 CO -0.09 0.59 0.42 -0.61 0.09 0.00 0.00 178.44 178.85 1otr h GLN 29 N 0.97 0.97 0.24 1.13 4.15 -0.75 -1.65 115.11 120.18 1otr h GLN 29 Ca 0.27 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1otr h GLN 29 Cb -0.10 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.39 1otr h GLN 29 CO -0.06 0.70 -0.15 0.28 -1.93 0.00 0.00 178.83 177.67 1otr h VAL 30 N 0.97 0.69 -0.31 2.39 2.07 -0.78 -1.64 116.25 119.65 1otr h VAL 30 Ca 0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 1otr h VAL 30 Cb -0.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1otr h VAL 30 CO -0.05 0.00 0.10 0.45 0.02 0.00 0.00 177.57 178.09 1otr h HIS 31 N -0.37 0.17 -0.74 1.57 3.86 -1.24 -1.18 115.15 117.22 1otr h HIS 31 Ca -0.02 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1otr h HIS 31 Cb 0.31 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 1otr h HIS 31 CO -0.09 0.07 0.37 1.25 0.86 0.00 0.00 177.93 180.40 1otr h LEU 32 N 0.23 0.49 -0.94 2.43 5.85 -1.15 -1.27 115.31 120.94 1otr h LEU 32 Ca 0.14 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1otr h LEU 32 Cb 0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1otr h LEU 32 CO -0.15 0.27 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.90 1otr h LEU 33 N 0.62 0.48 0.33 2.25 3.38 -0.74 0.14 115.31 121.78 1otr h LEU 33 Ca 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1otr h LEU 33 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1otr h LEU 33 CO -0.28 0.72 -0.36 -0.33 0.09 0.00 0.00 178.44 178.28 1otr h GLU 34 N 0.42 -0.70 0.00 1.13 5.08 -0.01 -3.32 114.58 117.18 1otr h GLU 34 Ca 0.06 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1otr h GLU 34 Cb 0.66 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1otr h GLU 34 CO 0.05 -0.47 0.00 0.09 -1.00 0.00 0.00 179.01 177.68 1otr n ASN 35 N -5.46 0.00 0.00 1.42 4.13 -1.14 -4.91 115.26 109.30 1otr n ASN 35 Ca -0.09 0.90 0.00 0.00 1.68 0.00 0.00 54.58 57.07 1otr n ASN 35 Cb 0.37 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1otr n ASN 35 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1otr n ASN 36 N -1.85 0.00 -3.71 6.41 2.85 -1.16 -4.95 115.26 112.86 1otr n ASN 36 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1otr n ASN 36 Cb 0.00 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.08 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1otr n ASN 37 N 0.00 -5.50 -4.21 1.20 3.02 0.48 -4.99 115.26 105.27 1otr n ASN 37 Ca 0.00 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 53.61 1otr n ASN 37 Cb 0.00 -4.61 -0.17 0.00 -0.61 0.00 0.00 39.78 34.40 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1otr s ASP 38 N -3.39 2.80 0.11 6.41 1.01 -1.26 -4.88 116.67 117.47 1otr s ASP 38 Ca 0.57 -0.48 -0.12 0.00 0.71 0.00 0.00 52.55 53.23 1otr s ASP 38 Cb -0.27 -0.97 -0.13 0.00 1.01 0.00 0.00 42.92 42.57 1otr s ASP 38 CO 0.77 0.19 1.35 -0.07 0.21 0.00 0.00 175.17 177.61 1otr h LEU 39 N 6.37 0.97 -0.22 1.23 3.38 -1.94 -2.17 115.31 122.92 1otr h LEU 39 Ca -0.28 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.15 1otr h LEU 39 Cb 1.20 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1otr h LEU 39 CO 0.47 1.39 -0.10 -0.78 0.09 0.00 0.00 178.44 179.52 1otr h ASP 40 N 0.61 -0.32 0.15 -0.43 3.58 -1.97 0.24 116.42 118.28 1otr h ASP 40 Ca -0.02 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1otr h ASP 40 Cb 1.30 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1otr h ASP 40 CO 0.15 -0.13 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.24 1otr h LEU 41 N -0.06 -0.17 0.12 2.28 4.07 -1.98 -0.05 115.31 119.52 1otr h LEU 41 Ca 0.12 -0.34 0.02 0.00 0.08 0.00 0.00 57.88 57.75 1otr h LEU 41 Cb 0.24 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1otr h LEU 41 CO -0.27 0.41 -0.28 0.74 -1.08 0.00 0.00 178.44 177.96 1otr h THR 42 N -0.91 0.38 -0.42 0.22 2.02 -1.39 -2.11 112.91 110.71 1otr h THR 42 Ca -0.02 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 1otr h THR 42 Cb 0.50 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1otr h THR 42 CO 0.03 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 176.07 1otr h ILE 43 N -0.50 1.27 -0.48 3.11 2.04 -0.66 -0.87 117.51 121.43 1otr h ILE 43 Ca 0.03 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 64.59 1otr h ILE 43 Cb 0.53 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.72 1otr h ILE 43 CO -0.16 0.47 -0.16 1.23 0.00 0.00 0.00 178.15 179.53 1otr h GLY 44 N 0.91 0.26 1.92 5.37 0.00 -0.64 0.05 103.07 110.95 1otr h GLY 44 Ca 0.09 0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.43 1otr h GLY 44 CO 0.07 -0.20 -0.92 1.41 0.00 0.00 0.00 176.54 176.90 1otr h LEU 45 N -0.05 0.09 -0.55 3.11 4.07 -1.38 -3.31 115.31 117.30 1otr h LEU 45 Ca 0.23 -0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.15 1otr h LEU 45 Cb 0.40 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.07 1otr h LEU 45 CO -0.52 0.96 0.29 0.25 -1.08 0.00 0.00 178.44 178.34 1otr h LEU 46 N 0.03 0.43 -0.47 1.67 7.12 0.21 -2.59 115.31 121.70 1otr h LEU 46 Ca -0.03 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1otr h LEU 46 Cb 1.60 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 41.62 1otr h LEU 46 CO 0.13 0.29 0.14 -0.07 -0.13 0.00 0.00 178.44 178.80 1otr h LEU 47 N 0.56 0.11 -0.80 2.25 3.38 -1.13 -1.24 115.31 118.45 1otr h LEU 47 Ca 0.24 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.31 1otr h LEU 47 Cb 0.13 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1otr h LEU 47 CO -0.15 0.09 0.51 0.50 0.09 0.00 0.00 178.44 179.48 1otr h LYS 48 N 0.30 0.97 -0.38 1.13 3.64 -1.62 -2.05 116.57 118.56 1otr h LYS 48 Ca 0.23 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1otr h LYS 48 Cb 0.26 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1otr h LYS 48 CO -0.26 0.64 0.12 1.49 -2.27 0.00 0.00 179.45 179.18 1otr h GLU 49 N 1.00 0.59 -0.08 1.90 4.22 -1.00 -2.63 114.58 118.56 1otr h GLU 49 Ca 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.64 1otr h GLU 49 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1otr h GLU 49 CO -0.11 0.59 0.04 -0.97 -2.18 0.00 0.00 179.01 176.38 1otr h ASN 50 N 0.46 0.10 -0.97 1.04 -1.24 -0.87 -2.44 115.58 111.67 1otr h ASN 50 Ca 0.12 -0.00 0.23 0.00 0.71 0.00 0.00 56.30 57.36 1otr h ASN 50 Cb 0.25 -0.02 -0.12 0.00 0.73 0.00 0.00 38.32 39.15 1otr h ASN 50 CO -0.00 0.08 0.55 -0.78 -1.29 0.00 0.00 177.43 175.99 1otr h ASP 51 N 0.11 0.61 -2.58 1.15 1.82 -0.99 -3.42 116.42 113.13 1otr h ASP 51 Ca 0.03 0.13 0.10 0.00 -0.39 0.00 0.00 57.03 56.91 1otr h ASP 51 Cb 0.01 0.04 -0.26 0.00 0.68 0.00 0.00 39.33 39.80 1otr h ASP 51 CO -0.00 0.11 0.35 -0.62 -1.61 0.00 0.00 179.24 177.47 1otr s ASP 52 N -5.24 -0.55 0.04 2.28 2.15 -0.92 -5.05 116.67 109.39 1otr s ASP 52 Ca -0.11 0.88 -0.20 0.00 0.43 0.00 0.00 52.55 53.55 1otr s ASP 52 Cb 0.26 1.22 -0.14 0.00 -0.30 0.00 0.00 42.92 43.97 1otr s ASP 52 CO 0.79 -0.14 1.36 0.50 -0.17 0.00 0.00 175.17 177.51 1otr h LYS 53 N 6.14 0.37 0.00 4.34 1.63 -1.82 -3.45 116.57 123.78 1otr h LYS 53 Ca -0.28 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1otr h LYS 53 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1otr h LYS 53 CO 0.19 0.74 0.00 0.43 -3.45 0.00 0.00 179.45 177.36