#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 -2.41 1.20 5.75 -1.26 -5.00 116.55 114.83 1otr n ASP 7 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1otr n ASP 7 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1otr n ASP 7 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1otr n ASP 8 N -0.30 -1.19 0.28 -1.12 5.68 -1.26 -4.96 116.55 113.68 1otr n ASP 8 Ca 0.00 -1.92 0.14 0.00 -0.50 0.00 0.00 54.79 52.50 1otr n ASP 8 Cb 0.00 0.64 0.84 0.00 -1.14 0.00 0.00 41.12 41.46 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1otr h HIS 9 N 0.99 0.00 -0.95 2.11 2.07 -1.96 -1.87 115.15 115.53 1otr h HIS 9 Ca -0.33 0.00 0.19 0.00 -2.85 0.00 0.00 60.37 57.38 1otr h HIS 9 Cb 1.23 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.12 1otr h HIS 9 CO -0.06 0.04 0.61 0.93 -3.07 0.00 0.00 177.93 176.37 1otr h GLU 10 N 0.00 0.58 0.06 5.12 5.08 -1.98 0.15 114.58 123.60 1otr h GLU 10 Ca -0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1otr h GLU 10 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1otr h GLU 10 CO 0.01 0.38 -0.09 0.77 -1.00 0.00 0.00 179.01 179.08 1otr h SER 11 N 0.60 -0.24 -0.78 1.42 0.02 -1.76 0.27 113.55 113.08 1otr h SER 11 Ca 0.51 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.50 1otr h SER 11 Cb 1.00 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1otr h SER 11 CO -0.26 -0.14 0.52 0.11 -1.14 0.00 0.00 176.83 175.92 1otr h LYS 12 N -0.18 0.99 -0.96 3.45 1.57 -1.12 -0.62 116.57 119.70 1otr h LYS 12 Ca 0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1otr h LYS 12 Cb 0.19 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1otr h LYS 12 CO -0.04 0.66 0.59 1.25 -0.57 0.00 0.00 179.45 181.34 1otr h LEU 13 N 1.02 1.14 -0.44 2.94 5.85 0.26 -1.49 115.31 124.59 1otr h LEU 13 Ca 0.29 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1otr h LEU 13 Cb -0.07 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1otr h LEU 13 CO -0.07 0.86 0.26 -1.28 -0.34 0.00 0.00 178.44 177.86 1otr h SER 14 N 1.32 0.54 -0.76 1.25 0.87 0.10 -1.46 113.55 115.41 1otr h SER 14 Ca 0.35 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1otr h SER 14 Cb -0.08 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 1otr h SER 14 CO -0.07 0.45 0.47 0.40 -0.53 0.00 0.00 176.83 177.55 1otr h ILE 15 N 0.58 1.06 -0.41 2.23 5.03 -0.71 -1.97 117.51 123.33 1otr h ILE 15 Ca 0.16 -0.30 -0.01 0.00 -0.12 0.00 0.00 64.86 64.58 1otr h ILE 15 Cb 0.02 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 33.89 1otr h ILE 15 CO -0.03 0.16 0.20 -0.07 -0.68 0.00 0.00 178.15 177.73 1otr h LEU 16 N 0.89 0.53 -0.05 1.44 3.38 -0.77 0.22 115.31 120.94 1otr h LEU 16 Ca 0.32 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1otr h LEU 16 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1otr h LEU 16 CO -0.14 0.50 0.01 0.24 0.09 0.00 0.00 178.44 179.14 1otr h MET 17 N 0.52 0.03 -0.53 1.13 2.86 -0.84 0.18 114.93 118.28 1otr h MET 17 Ca 0.14 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1otr h MET 17 Cb 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1otr h MET 17 CO -0.02 0.02 -0.09 0.22 1.06 0.00 0.00 176.91 178.10 1otr h ASP 18 N 0.03 1.00 -0.49 1.22 3.58 -1.29 -2.54 116.42 117.93 1otr h ASP 18 Ca 0.02 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.08 1otr h ASP 18 Cb 0.02 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1otr h ASP 18 CO -0.03 1.11 0.15 -0.03 -2.88 0.00 0.00 179.24 177.56 1otr h MET 19 N 0.87 0.83 -2.25 0.28 4.05 -0.31 -3.31 114.93 115.09 1otr h MET 19 Ca 0.14 -0.16 -0.59 0.00 -0.28 0.00 0.00 59.70 58.80 1otr h MET 19 Cb 0.65 -0.13 -0.41 0.00 -0.80 0.00 0.00 31.60 30.91 1otr h MET 19 CO 0.05 0.74 -0.70 1.19 0.23 0.00 0.00 176.91 178.41 1otr n PHE 20 N -4.28 2.71 -0.34 1.39 3.72 0.61 -4.94 117.46 116.32 1otr n PHE 20 Ca 0.04 -4.03 0.10 0.00 -0.05 0.00 0.00 57.45 53.51 1otr n PHE 20 Cb 0.22 -0.50 0.28 0.00 -0.94 0.00 0.00 39.48 38.53 1otr n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1otr h PRO 21 N 4.31 0.76 -0.23 -1.08 0.11 -1.55 -1.98 132.00 132.34 1otr h PRO 21 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1otr h PRO 21 Cb 0.72 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1otr h PRO 21 CO 0.74 0.50 0.10 0.00 -0.21 0.00 0.00 178.00 179.13 1otr h ALA 22 N 1.60 0.29 -2.63 -0.75 0.00 -1.92 -3.43 119.26 112.42 1otr h ALA 22 Ca 0.53 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.82 1otr h ALA 22 Cb 0.74 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1otr h ALA 22 CO -0.35 -0.13 0.63 0.42 0.00 0.00 0.00 179.25 179.81 1otr s ILE 23 N -5.65 3.42 0.34 0.00 1.01 -0.74 -4.98 121.20 114.60 1otr s ILE 23 Ca -0.13 1.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.37 1otr s ILE 23 Cb 0.08 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 1otr s ILE 23 CO 0.71 0.15 1.31 -0.94 0.00 0.00 0.00 174.94 176.17 1otr s SER 24 N 0.49 6.69 0.52 3.58 1.04 -1.26 -4.90 113.70 119.87 1otr s SER 24 Ca 0.57 2.69 0.19 0.00 0.48 0.00 0.00 55.95 59.88 1otr s SER 24 Cb -0.35 -2.65 1.31 0.00 0.10 0.00 0.00 66.02 64.44 1otr s SER 24 CO 0.35 -0.59 2.11 0.07 0.98 0.00 0.00 173.24 176.16 1otr h LYS 25 N 3.26 0.00 -0.35 4.02 2.10 -1.93 -2.34 116.57 121.32 1otr h LYS 25 Ca -0.49 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.22 1otr h LYS 25 Cb 1.23 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.51 1otr h LYS 25 CO 0.65 0.00 0.04 1.03 -2.00 0.00 0.00 179.45 179.17 1otr h SER 26 N 0.00 -0.06 -0.04 7.07 0.87 -1.99 0.17 113.55 119.57 1otr h SER 26 Ca 0.07 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1otr h SER 26 Cb 0.29 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1otr h SER 26 CO -0.00 0.01 0.02 0.50 -0.53 0.00 0.00 176.83 176.82 1otr h LYS 27 N 0.14 0.06 -0.87 2.24 3.64 -1.81 -1.67 116.57 118.30 1otr h LYS 27 Ca 0.17 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1otr h LYS 27 Cb 0.21 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1otr h LYS 27 CO -0.25 0.19 0.57 -0.07 -2.27 0.00 0.00 179.45 177.62 1otr h LEU 28 N -0.07 0.85 -0.49 5.20 3.38 -1.36 -1.47 115.31 121.35 1otr h LEU 28 Ca 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1otr h LEU 28 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1otr h LEU 28 CO -0.00 0.54 0.10 -0.61 0.09 0.00 0.00 178.44 178.56 1otr h GLN 29 N 0.97 0.79 -0.31 1.13 4.15 -0.39 -1.58 115.11 119.88 1otr h GLN 29 Ca 0.38 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.62 1otr h GLN 29 Cb 0.23 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1otr h GLN 29 CO -0.14 0.79 0.13 0.28 -1.93 0.00 0.00 178.83 177.96 1otr h VAL 30 N 0.67 0.96 -0.82 2.39 2.07 -0.34 -0.62 116.25 120.56 1otr h VAL 30 Ca 0.15 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1otr h VAL 30 Cb 0.37 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1otr h VAL 30 CO 0.01 0.05 0.37 0.45 0.02 0.00 0.00 177.57 178.47 1otr h HIS 31 N 0.29 1.21 -0.40 1.57 3.86 -1.24 -1.73 115.15 118.72 1otr h HIS 31 Ca 0.13 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1otr h HIS 31 Cb 0.07 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.15 1otr h HIS 31 CO -0.11 0.89 0.19 1.25 0.86 0.00 0.00 177.93 181.00 1otr h LEU 32 N 1.18 0.52 -0.14 2.43 5.85 -0.72 -0.29 115.31 124.14 1otr h LEU 32 Ca 0.28 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1otr h LEU 32 Cb 0.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1otr h LEU 32 CO -0.03 0.51 0.06 -0.07 -0.34 0.00 0.00 178.44 178.56 1otr h LEU 33 N 0.50 0.20 -0.04 2.25 3.38 -0.91 -2.33 115.31 118.35 1otr h LEU 33 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1otr h LEU 33 Cb 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1otr h LEU 33 CO -0.02 0.31 0.03 -0.33 0.09 0.00 0.00 178.44 178.52 1otr h GLU 34 N 0.07 0.06 -0.99 1.13 4.39 -1.23 -2.21 114.58 115.80 1otr h GLU 34 Ca 0.05 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1otr h GLU 34 Cb 0.17 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1otr h GLU 34 CO -0.00 0.08 0.12 0.09 -1.16 0.00 0.00 179.01 178.13 1otr n ASN 35 N -5.04 3.01 0.00 1.42 3.02 -0.13 -4.90 115.26 112.64 1otr n ASN 35 Ca -0.06 -2.30 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1otr n ASN 35 Cb 0.05 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 0.17 0.00 -0.90 6.41 5.03 -0.83 -1.67 115.26 123.47 1otr n ASN 36 Ca 0.11 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.55 1otr n ASN 36 Cb 0.70 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.46 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1otr n ASN 37 N 1.18 -0.17 -4.73 6.41 6.94 -1.10 -4.37 115.26 119.43 1otr n ASN 37 Ca 0.00 -0.55 -0.41 0.00 -0.02 0.00 0.00 54.58 53.60 1otr n ASN 37 Cb 0.00 0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1otr s ASP 38 N -0.15 7.44 -0.27 0.53 -1.08 -0.67 -4.98 116.67 117.49 1otr s ASP 38 Ca 0.00 1.72 -0.13 0.00 -0.52 0.00 0.00 52.55 53.63 1otr s ASP 38 Cb 0.02 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.79 1otr s ASP 38 CO -0.01 -0.07 -0.34 0.18 0.52 0.00 0.00 175.17 175.45 1otr n LEU 39 N 2.90 2.00 -0.04 -1.34 4.77 -1.26 -4.03 117.00 119.99 1otr n LEU 39 Ca 0.02 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.21 1otr n LEU 39 Cb 0.49 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1otr n LEU 39 CO 0.51 0.59 0.83 -2.24 -1.33 0.00 0.00 177.39 175.75 1otr h ASP 40 N -0.90 -0.19 0.59 -1.43 2.03 -1.97 0.18 116.42 114.72 1otr h ASP 40 Ca -0.68 0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 55.65 1otr h ASP 40 Cb 1.63 0.12 0.01 0.00 -0.83 0.00 0.00 39.33 40.26 1otr h ASP 40 CO -0.40 -0.07 -0.28 0.25 -1.03 0.00 0.00 179.24 177.71 1otr h LEU 41 N -0.01 -0.67 0.30 0.15 6.46 -1.98 0.18 115.31 119.74 1otr h LEU 41 Ca 0.09 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1otr h LEU 41 Cb 0.15 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1otr h LEU 41 CO -0.20 -0.36 -0.34 0.74 -0.62 0.00 0.00 178.44 177.66 1otr h THR 42 N -0.97 0.00 -0.93 1.05 2.02 -1.68 -2.02 112.91 110.37 1otr h THR 42 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 1otr h THR 42 Cb 0.66 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.99 1otr h THR 42 CO 0.13 0.00 0.59 0.40 0.37 0.00 0.00 175.52 177.02 1otr h ILE 43 N -0.66 0.83 -0.58 3.11 2.04 -0.74 -0.82 117.51 120.70 1otr h ILE 43 Ca -0.04 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.66 1otr h ILE 43 Cb 0.58 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 1otr h ILE 43 CO -0.06 0.14 0.15 1.23 0.00 0.00 0.00 178.15 179.61 1otr h GLY 44 N 0.76 0.76 1.37 5.37 0.00 -0.07 -0.31 103.07 110.94 1otr h GLY 44 Ca 0.47 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.59 1otr h GLY 44 CO -0.24 -0.07 -0.47 -2.00 0.00 0.00 0.00 176.54 173.76 1otr h LEU 45 N 0.30 0.73 -0.64 3.11 5.85 -0.50 -3.22 115.31 120.94 1otr h LEU 45 Ca 0.30 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1otr h LEU 45 Cb 0.41 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1otr h LEU 45 CO -0.35 1.09 0.41 -0.07 -0.34 0.00 0.00 178.44 179.17 1otr h LEU 46 N 0.54 0.68 -0.39 2.25 -0.00 -0.17 -2.87 115.31 115.35 1otr h LEU 46 Ca 0.03 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.98 1otr h LEU 46 Cb 1.02 -0.15 -0.07 0.00 -0.00 0.00 0.00 40.66 41.46 1otr h LEU 46 CO 0.10 0.48 -0.06 -0.07 -0.00 0.00 0.00 178.44 178.89 1otr h LEU 47 N 0.81 -0.28 -3.15 1.67 3.38 -1.12 -1.12 115.31 115.50 1otr h LEU 47 Ca 0.25 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1otr h LEU 47 Cb -0.01 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1otr h LEU 47 CO -0.09 -0.09 0.04 0.29 0.09 0.00 0.00 178.44 178.67 1otr n LYS 48 N -5.25 1.20 0.07 1.13 5.02 -1.08 -4.40 118.16 114.83 1otr n LYS 48 Ca 0.02 -0.32 -0.13 0.00 -2.02 0.00 0.00 58.31 55.87 1otr n LYS 48 Cb 0.21 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1otr h GLU 49 N 1.22 -0.16 -0.36 1.97 4.57 -1.26 -3.24 114.58 117.33 1otr h GLU 49 Ca 0.06 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1otr h GLU 49 Cb 1.02 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1otr h GLU 49 CO 0.13 0.15 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.20 1otr h ASN 50 N -0.49 0.63 -3.32 1.04 4.21 -1.85 -3.43 115.58 112.37 1otr h ASN 50 Ca -0.02 -0.32 -0.53 0.00 1.21 0.00 0.00 56.30 56.65 1otr h ASN 50 Cb 0.39 -0.17 0.04 0.00 -1.12 0.00 0.00 38.32 37.47 1otr h ASN 50 CO 0.03 0.79 0.73 -0.62 -1.29 0.00 0.00 177.43 177.07 1otr s ASP 51 N -6.15 6.75 0.33 5.81 2.15 -1.22 -4.95 116.67 119.38 1otr s ASP 51 Ca -0.13 2.54 -0.29 0.00 0.43 0.00 0.00 52.55 55.10 1otr s ASP 51 Cb 0.09 -2.61 -0.11 0.00 -0.30 0.00 0.00 42.92 39.99 1otr s ASP 51 CO 0.78 -0.64 1.51 -1.81 -0.17 0.00 0.00 175.17 174.84 1otr s ASP 52 N 0.46 6.42 0.47 -0.34 1.01 -1.26 -4.90 116.67 118.52 1otr s ASP 52 Ca 0.59 2.95 -0.25 0.00 0.71 0.00 0.00 52.55 56.56 1otr s ASP 52 Cb -0.40 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 40.81 1otr s ASP 52 CO 0.40 -0.85 1.41 2.29 0.21 0.00 0.00 175.17 178.63 1otr n LYS 53 N 1.37 2.13 0.00 8.23 -0.00 -1.26 -5.10 118.16 123.53 1otr n LYS 53 Ca 0.04 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1otr n LYS 53 Cb 0.39 -2.61 0.00 0.00 -0.00 0.00 0.00 35.03 32.81 1otr n LYS 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83