#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 -1.81 6.41 5.75 -1.26 -5.00 116.55 120.64 1otr n ASP 7 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1otr n ASP 7 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1otr n ASP 7 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1otr n ASP 8 N -0.90 -0.36 0.22 -1.12 -0.08 -1.26 -4.99 116.55 108.06 1otr n ASP 8 Ca 0.00 -1.27 0.09 0.00 -1.51 0.00 0.00 54.79 52.10 1otr n ASP 8 Cb 0.00 0.21 0.44 0.00 2.34 0.00 0.00 41.12 44.11 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1otr h HIS 9 N 0.28 0.00 -0.81 -0.67 2.07 -1.94 -3.16 115.15 110.92 1otr h HIS 9 Ca -0.13 0.00 0.15 0.00 -2.85 0.00 0.00 60.37 57.54 1otr h HIS 9 Cb 1.07 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.96 1otr h HIS 9 CO -0.19 0.26 0.37 0.93 -3.07 0.00 0.00 177.93 176.23 1otr h GLU 10 N 0.00 0.50 -0.37 5.12 5.08 -1.98 0.42 114.58 123.36 1otr h GLU 10 Ca -0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1otr h GLU 10 Cb 0.76 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1otr h GLU 10 CO 0.03 0.33 0.20 0.66 -1.00 0.00 0.00 179.01 179.23 1otr h SER 11 N 0.52 0.30 -0.71 1.42 4.64 -1.98 0.77 113.55 118.51 1otr h SER 11 Ca 0.45 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1otr h SER 11 Cb 0.67 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1otr h SER 11 CO -0.39 0.22 0.39 0.11 -0.87 0.00 0.00 176.83 176.28 1otr h LYS 12 N 0.40 1.01 -0.98 4.77 1.79 -1.10 -1.30 116.57 121.15 1otr h LYS 12 Ca 0.15 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1otr h LYS 12 Cb 0.04 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.44 1otr h LYS 12 CO -0.09 0.75 0.65 1.25 -1.08 0.00 0.00 179.45 180.92 1otr h LEU 13 N 1.02 1.14 -0.32 2.94 5.85 0.11 -0.63 115.31 125.41 1otr h LEU 13 Ca 0.26 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1otr h LEU 13 Cb 0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1otr h LEU 13 CO -0.04 0.83 0.19 -1.28 -0.34 0.00 0.00 178.44 177.80 1otr h SER 14 N 1.34 0.38 -1.00 1.25 0.87 0.22 -0.54 113.55 116.08 1otr h SER 14 Ca 0.36 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1otr h SER 14 Cb -0.14 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.65 1otr h SER 14 CO -0.08 0.32 0.65 0.40 -0.53 0.00 0.00 176.83 177.59 1otr h ILE 15 N 0.41 1.12 -0.72 2.23 1.08 -0.71 -1.51 117.51 119.41 1otr h ILE 15 Ca 0.11 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1otr h ILE 15 Cb 0.01 -0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 33.53 1otr h ILE 15 CO -0.02 0.22 0.42 -0.07 -0.69 0.00 0.00 178.15 178.01 1otr h LEU 16 N 1.20 0.88 -0.04 1.44 3.38 -0.28 0.72 115.31 122.61 1otr h LEU 16 Ca 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1otr h LEU 16 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1otr h LEU 16 CO -0.16 0.70 0.03 0.24 0.09 0.00 0.00 178.44 179.34 1otr h MET 17 N 0.99 0.05 -0.03 1.13 2.86 -0.12 0.15 114.93 119.96 1otr h MET 17 Ca 0.26 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.73 1otr h MET 17 Cb -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1otr h MET 17 CO -0.05 0.04 -0.72 0.22 1.06 0.00 0.00 176.91 177.47 1otr h ASP 18 N 0.05 0.22 -0.46 1.22 3.58 -1.22 -2.47 116.42 117.33 1otr h ASP 18 Ca 0.01 -0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.22 1otr h ASP 18 Cb 0.00 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1otr h ASP 18 CO -0.00 0.87 -0.05 -0.03 -2.88 0.00 0.00 179.24 177.15 1otr h MET 19 N 0.12 0.90 -2.11 0.28 4.05 0.75 -3.33 114.93 115.60 1otr h MET 19 Ca -0.02 -0.29 -0.57 0.00 -0.28 0.00 0.00 59.70 58.54 1otr h MET 19 Cb 1.27 -0.08 -0.41 0.00 -0.80 0.00 0.00 31.60 31.59 1otr h MET 19 CO 0.11 0.93 -0.85 1.19 0.23 0.00 0.00 176.91 178.52 1otr n PHE 20 N -4.18 1.84 -0.32 1.39 3.72 0.51 -4.94 117.46 115.49 1otr n PHE 20 Ca 0.02 -3.88 0.11 0.00 -0.05 0.00 0.00 57.45 53.65 1otr n PHE 20 Cb 0.35 -0.46 0.33 0.00 -0.94 0.00 0.00 39.48 38.76 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 3.87 0.76 -0.56 -1.08 0.13 -1.56 -1.16 132.00 132.39 1otr h PRO 21 Ca 0.13 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1otr h PRO 21 Cb 0.76 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1otr h PRO 21 CO 0.66 0.50 0.22 0.00 -0.23 0.00 0.00 178.00 179.16 1otr h ALA 22 N 1.59 0.72 -2.73 -0.56 0.00 -1.92 -3.43 119.26 112.93 1otr h ALA 22 Ca 0.49 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 1otr h ALA 22 Cb 0.73 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.34 1otr h ALA 22 CO -0.26 0.33 0.67 0.42 0.00 0.00 0.00 179.25 180.41 1otr s ILE 23 N -5.55 3.00 0.45 0.00 1.01 -0.44 -4.97 121.20 114.69 1otr s ILE 23 Ca -0.13 0.86 -0.25 0.00 0.00 0.00 0.00 60.65 61.13 1otr s ILE 23 Cb 0.12 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 1otr s ILE 23 CO 0.79 0.15 1.39 -0.44 0.00 0.00 0.00 174.94 176.82 1otr s SER 24 N 0.16 5.95 0.26 3.58 0.01 -1.26 -4.90 113.70 117.49 1otr s SER 24 Ca 0.55 2.83 -0.03 0.00 1.31 0.00 0.00 55.95 60.61 1otr s SER 24 Cb -0.38 -2.65 0.39 0.00 0.21 0.00 0.00 66.02 63.59 1otr s SER 24 CO 0.42 -1.11 1.86 0.50 0.41 0.00 0.00 173.24 175.31 1otr h LYS 25 N 2.35 1.01 -0.36 12.44 3.64 -1.92 -2.27 116.57 131.46 1otr h LYS 25 Ca -0.50 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.88 1otr h LYS 25 Cb 1.26 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1otr h LYS 25 CO 0.61 0.67 0.03 0.77 -2.27 0.00 0.00 179.45 179.26 1otr h SER 26 N 1.04 -0.08 -0.83 4.20 0.02 -2.00 -1.18 113.55 114.71 1otr h SER 26 Ca 0.41 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.46 1otr h SER 26 Cb 0.23 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1otr h SER 26 CO -0.19 -0.01 0.55 0.50 -1.14 0.00 0.00 176.83 176.54 1otr h LYS 27 N 0.14 1.04 -0.54 3.45 3.64 -1.80 -1.72 116.57 120.78 1otr h LYS 27 Ca 0.17 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1otr h LYS 27 Cb 0.23 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1otr h LYS 27 CO -0.27 0.69 0.23 -0.07 -2.27 0.00 0.00 179.45 177.77 1otr h LEU 28 N 1.07 0.73 -0.50 5.20 3.38 -0.85 -1.99 115.31 122.35 1otr h LEU 28 Ca 0.32 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1otr h LEU 28 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1otr h LEU 28 CO -0.08 0.68 0.07 -0.61 0.09 0.00 0.00 178.44 178.58 1otr h GLN 29 N 0.73 0.83 0.93 1.13 4.15 -0.78 -1.74 115.11 120.37 1otr h GLN 29 Ca 0.18 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1otr h GLN 29 Cb 0.17 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.77 1otr h GLN 29 CO -0.02 0.84 -0.45 0.28 -1.93 0.00 0.00 178.83 177.55 1otr h VAL 30 N 0.71 0.08 -0.85 2.39 2.07 -1.14 -1.01 116.25 118.49 1otr h VAL 30 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1otr h VAL 30 Cb 0.42 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1otr h VAL 30 CO 0.01 0.00 0.55 1.12 0.02 0.00 0.00 177.57 179.27 1otr h HIS 31 N -1.26 1.03 -0.73 1.57 2.07 -1.43 -1.56 115.15 114.84 1otr h HIS 31 Ca -0.13 0.03 0.08 0.00 -2.85 0.00 0.00 60.37 57.49 1otr h HIS 31 Cb 0.97 -0.34 -0.06 0.00 2.57 0.00 0.00 27.41 30.54 1otr h HIS 31 CO -0.01 0.60 0.41 1.25 -3.07 0.00 0.00 177.93 177.10 1otr h LEU 32 N 1.07 0.58 -0.76 6.12 5.85 -1.22 -0.84 115.31 126.12 1otr h LEU 32 Ca 0.34 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1otr h LEU 32 Cb -0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1otr h LEU 32 CO -0.11 0.36 0.41 -0.07 -0.34 0.00 0.00 178.44 178.68 1otr h LEU 33 N 0.72 0.95 0.24 2.25 3.38 -0.24 -2.88 115.31 119.72 1otr h LEU 33 Ca 0.34 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1otr h LEU 33 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1otr h LEU 33 CO -0.22 0.78 -0.27 -0.33 0.09 0.00 0.00 178.44 178.49 1otr h GLU 34 N 1.05 -0.53 -1.52 1.13 5.08 -0.38 -1.92 114.58 117.48 1otr h GLU 34 Ca 0.27 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1otr h GLU 34 Cb 0.04 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1otr h GLU 34 CO -0.04 -0.35 0.16 0.09 -1.00 0.00 0.00 179.01 177.86 1otr n ASN 35 N -5.39 4.89 0.00 1.42 3.02 -0.71 -4.89 115.26 113.59 1otr n ASN 35 Ca -0.08 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1otr n ASN 35 Cb 0.30 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1otr n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otr n ASN 36 N 0.73 0.00 0.00 6.41 3.02 -0.72 -2.04 115.26 122.66 1otr n ASN 36 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1otr n ASN 36 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1otr n ASN 37 N 1.31 0.00 -4.68 6.41 0.23 -1.17 -4.30 115.26 113.06 1otr n ASN 37 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.67 1otr n ASN 37 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1otr s ASP 38 N 0.00 6.48 -0.03 0.53 -1.08 -0.87 -4.93 116.67 116.78 1otr s ASP 38 Ca 0.00 0.57 -0.21 0.00 -0.52 0.00 0.00 52.55 52.39 1otr s ASP 38 Cb 0.00 -2.24 -0.30 0.00 -1.46 0.00 0.00 42.92 38.91 1otr s ASP 38 CO 0.00 -0.07 0.95 -0.07 0.52 0.00 0.00 175.17 176.50 1otr h LEU 39 N 7.52 0.54 -0.44 -1.34 3.38 -1.95 -3.07 115.31 119.96 1otr h LEU 39 Ca -0.37 -0.91 0.09 0.00 0.09 0.00 0.00 57.88 56.78 1otr h LEU 39 Cb 1.16 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1otr h LEU 39 CO 0.73 1.41 -0.05 0.44 0.09 0.00 0.00 178.44 181.05 1otr h ASP 40 N -0.24 -0.30 0.42 -0.43 5.19 -1.97 0.34 116.42 119.43 1otr h ASP 40 Ca -0.15 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1otr h ASP 40 Cb 1.66 0.23 0.00 0.00 0.18 0.00 0.00 39.33 41.40 1otr h ASP 40 CO 0.16 -0.10 -0.20 0.25 -3.12 0.00 0.00 179.24 176.23 1otr h LEU 41 N 0.05 -0.48 0.24 1.55 5.85 -1.98 -0.90 115.31 119.64 1otr h LEU 41 Ca 0.21 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1otr h LEU 41 Cb 0.32 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1otr h LEU 41 CO -0.41 -0.25 -0.46 0.74 -0.34 0.00 0.00 178.44 177.72 1otr h THR 42 N -0.75 0.10 -0.76 1.05 2.02 -1.49 -2.00 112.91 111.08 1otr h THR 42 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1otr h THR 42 Cb 0.44 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 1otr h THR 42 CO 0.10 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.84 1otr h ILE 43 N -0.78 1.03 -0.67 3.11 2.04 -0.46 0.11 117.51 121.89 1otr h ILE 43 Ca -0.01 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.68 1otr h ILE 43 Cb 0.75 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1otr h ILE 43 CO -0.19 0.15 0.20 1.23 0.00 0.00 0.00 178.15 179.55 1otr h GLY 44 N 0.84 0.93 1.79 5.37 0.00 -0.73 0.20 103.07 111.46 1otr h GLY 44 Ca 0.33 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.40 1otr h GLY 44 CO -0.16 -0.10 -0.77 -2.00 0.00 0.00 0.00 176.54 173.51 1otr h LEU 45 N 0.35 0.25 -0.64 3.11 7.12 -0.72 -3.27 115.31 121.50 1otr h LEU 45 Ca 0.36 -0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.25 1otr h LEU 45 Cb 0.53 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 1otr h LEU 45 CO -0.40 0.92 0.34 -0.07 -0.13 0.00 0.00 178.44 179.10 1otr h LEU 46 N 0.13 0.48 -0.51 2.25 -0.00 0.12 0.12 115.31 117.90 1otr h LEU 46 Ca -0.03 0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.99 1otr h LEU 46 Cb 1.35 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 41.86 1otr h LEU 46 CO 0.12 0.30 -0.19 -0.07 -0.00 0.00 0.00 178.44 178.60 1otr h LEU 47 N 0.62 -0.67 -0.34 1.67 3.38 -1.37 -0.39 115.31 118.20 1otr h LEU 47 Ca 0.30 0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 1otr h LEU 47 Cb 0.22 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1otr h LEU 47 CO -0.20 -0.22 -0.84 0.11 0.09 0.00 0.00 178.44 177.38 1otr h LYS 48 N -0.07 0.09 -0.82 1.13 1.57 -1.66 -3.27 116.57 113.53 1otr h LYS 48 Ca 0.24 -0.10 0.18 0.00 -1.87 0.00 0.00 60.65 59.10 1otr h LYS 48 Cb 0.44 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 1otr h LYS 48 CO -0.56 0.87 0.33 1.49 -0.57 0.00 0.00 179.45 181.01 1otr h GLU 49 N 0.05 0.41 -0.56 3.15 4.22 0.95 0.06 114.58 122.85 1otr h GLU 49 Ca -0.02 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.48 1otr h GLU 49 Cb 1.46 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 1otr h GLU 49 CO 0.12 0.27 0.15 -0.97 -2.18 0.00 0.00 179.01 176.40 1otr h ASN 50 N 0.42 0.08 -3.19 1.04 -0.73 -1.46 -3.39 115.58 108.35 1otr h ASN 50 Ca 0.48 0.09 -0.54 0.00 1.87 0.00 0.00 56.30 58.20 1otr h ASN 50 Cb 0.82 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 1otr h ASN 50 CO -0.47 0.06 0.57 -0.62 -0.37 0.00 0.00 177.43 176.61 1otr s ASP 51 N -5.34 7.10 -0.30 1.15 2.15 0.01 -5.00 116.67 116.45 1otr s ASP 51 Ca -0.13 1.93 -0.16 0.00 0.43 0.00 0.00 52.55 54.62 1otr s ASP 51 Cb 0.17 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.40 1otr s ASP 51 CO 0.74 -0.48 1.16 -0.62 -0.17 0.00 0.00 175.17 175.80 1otr s ASP 52 N 1.16 -0.24 0.00 -0.34 2.15 -1.26 -4.95 116.67 113.19 1otr s ASP 52 Ca 0.57 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.92 1otr s ASP 52 Cb -0.27 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.48 1otr s ASP 52 CO 0.27 -0.06 0.00 1.17 -0.17 0.00 0.00 175.17 176.39 1otr n LYS 53 N 3.60 0.00 0.00 4.34 4.81 -1.26 -5.23 118.16 124.42 1otr n LYS 53 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1otr n LYS 53 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 1otr n LYS 53 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00