#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr s ASP 7 N 0.00 5.59 -0.16 1.20 -4.77 -1.26 -4.95 116.67 112.32 1otr s ASP 7 Ca 0.00 2.54 0.11 0.00 -3.30 0.00 0.00 52.55 51.89 1otr s ASP 7 Cb 0.00 -2.62 0.26 0.00 -1.09 0.00 0.00 42.92 39.47 1otr s ASP 7 CO 0.00 -1.34 1.24 -0.90 0.70 0.00 0.00 175.17 174.87 1otr n ASP 8 N -0.92 -0.64 0.17 2.11 5.75 -1.26 -4.91 116.55 116.85 1otr n ASP 8 Ca 0.10 -2.08 0.06 0.00 -0.01 0.00 0.00 54.79 52.85 1otr n ASP 8 Cb 0.47 0.28 0.09 0.00 -1.03 0.00 0.00 41.12 40.94 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1otr h HIS 9 N 0.79 0.00 -0.97 2.11 2.07 -1.98 -3.28 115.15 113.89 1otr h HIS 9 Ca -0.44 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.32 1otr h HIS 9 Cb 1.41 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.32 1otr h HIS 9 CO -0.02 0.35 0.64 0.93 -3.07 0.00 0.00 177.93 176.76 1otr h GLU 10 N 0.00 0.34 -0.10 5.12 5.08 -1.98 0.18 114.58 123.23 1otr h GLU 10 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1otr h GLU 10 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1otr h GLU 10 CO 0.05 0.22 0.04 1.03 -1.00 0.00 0.00 179.01 179.35 1otr h SER 11 N 0.35 0.06 -0.54 1.42 0.87 -1.99 0.37 113.55 114.09 1otr h SER 11 Ca 0.52 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.03 1otr h SER 11 Cb 1.40 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.32 1otr h SER 11 CO -0.19 0.05 0.15 0.11 -0.53 0.00 0.00 176.83 176.42 1otr h LYS 12 N 0.10 0.89 -0.83 2.24 1.57 -0.99 -2.16 116.57 117.39 1otr h LYS 12 Ca 0.04 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1otr h LYS 12 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1otr h LYS 12 CO -0.03 0.79 0.50 1.25 -0.57 0.00 0.00 179.45 181.39 1otr h LEU 13 N 0.86 0.99 -0.72 2.94 5.85 0.14 -1.38 115.31 123.99 1otr h LEU 13 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1otr h LEU 13 Cb 0.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1otr h LEU 13 CO -0.00 0.76 0.40 0.77 -0.34 0.00 0.00 178.44 180.03 1otr h SER 14 N 1.13 0.88 -0.90 1.25 4.64 0.27 -0.48 113.55 120.36 1otr h SER 14 Ca 0.30 -0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1otr h SER 14 Cb -0.05 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 61.74 1otr h SER 14 CO -0.06 0.72 0.54 0.40 -0.87 0.00 0.00 176.83 177.56 1otr h ILE 15 N 0.98 0.95 -0.65 0.95 1.08 -0.73 -0.62 117.51 119.47 1otr h ILE 15 Ca 0.25 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1otr h ILE 15 Cb 0.02 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.70 1otr h ILE 15 CO -0.04 0.17 0.30 -0.07 -0.69 0.00 0.00 178.15 177.82 1otr h LEU 16 N 0.91 0.85 -0.08 1.44 3.38 -0.15 0.66 115.31 122.32 1otr h LEU 16 Ca 0.42 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1otr h LEU 16 Cb 0.35 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1otr h LEU 16 CO -0.23 0.75 -0.17 0.24 0.09 0.00 0.00 178.44 179.12 1otr h MET 17 N 0.90 -0.23 0.00 1.13 2.86 0.38 0.29 114.93 120.26 1otr h MET 17 Ca 0.22 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1otr h MET 17 Cb 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1otr h MET 17 CO -0.03 -0.15 -0.53 -0.44 1.06 0.00 0.00 176.91 176.83 1otr h ASP 18 N -0.23 0.00 -0.67 1.22 5.19 -1.21 -3.03 116.42 117.69 1otr h ASP 18 Ca 0.08 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1otr h ASP 18 Cb 0.35 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 1otr h ASP 18 CO -0.22 0.53 0.22 -0.03 -3.12 0.00 0.00 179.24 176.61 1otr h MET 19 N 0.00 1.06 -3.93 3.56 4.05 0.17 -3.40 114.93 116.44 1otr h MET 19 Ca -0.01 -0.22 -0.55 0.00 -0.28 0.00 0.00 59.70 58.65 1otr h MET 19 Cb 0.97 -0.16 -0.39 0.00 -0.80 0.00 0.00 31.60 31.23 1otr h MET 19 CO 0.07 0.91 -0.78 -0.06 0.23 0.00 0.00 176.91 177.28 1otr s PHE 20 N -5.37 1.55 0.05 1.39 0.40 0.91 -5.02 117.98 111.90 1otr s PHE 20 Ca -0.11 -1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 54.94 1otr s PHE 20 Cb 0.15 -1.24 -0.21 0.00 0.51 0.00 0.00 43.02 42.24 1otr s PHE 20 CO 0.83 -0.64 1.20 -1.00 0.70 0.00 0.00 175.22 176.31 1otr h PRO 21 N 8.14 0.61 -0.26 0.24 0.13 -1.78 -3.33 132.00 135.74 1otr h PRO 21 Ca -0.19 -0.59 -0.04 0.00 -0.87 0.00 0.00 66.00 64.31 1otr h PRO 21 Cb 1.11 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1otr h PRO 21 CO 0.37 1.20 0.01 0.00 -0.23 0.00 0.00 178.00 179.35 1otr h ALA 22 N 0.42 0.36 -2.66 -0.56 0.00 -1.95 -3.44 119.26 111.43 1otr h ALA 22 Ca -0.08 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 1otr h ALA 22 Cb 1.43 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 19.17 1otr h ALA 22 CO 0.15 0.08 0.84 0.42 0.00 0.00 0.00 179.25 180.74 1otr s ILE 23 N -5.02 2.61 0.45 0.00 1.01 -1.25 -4.97 121.20 114.03 1otr s ILE 23 Ca -0.14 0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 1otr s ILE 23 Cb 0.08 -3.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.17 1otr s ILE 23 CO 0.75 0.05 1.12 -0.94 0.00 0.00 0.00 174.94 175.92 1otr s SER 24 N 0.84 6.30 0.29 3.58 1.04 -1.26 -4.90 113.70 119.58 1otr s SER 24 Ca 0.66 2.20 0.03 0.00 0.48 0.00 0.00 55.95 59.32 1otr s SER 24 Cb -0.43 -2.59 0.63 0.00 0.10 0.00 0.00 66.02 63.72 1otr s SER 24 CO 0.36 -0.82 1.80 0.50 0.98 0.00 0.00 173.24 176.06 1otr h LYS 25 N 2.06 0.81 -0.31 4.02 3.64 -1.93 -1.40 116.57 123.45 1otr h LYS 25 Ca -0.49 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1otr h LYS 25 Cb 1.24 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1otr h LYS 25 CO 0.60 0.53 0.16 0.66 -2.27 0.00 0.00 179.45 179.14 1otr h SER 26 N 0.83 0.24 -0.17 4.20 4.64 -1.99 -1.10 113.55 120.20 1otr h SER 26 Ca 0.53 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.87 1otr h SER 26 Cb 0.69 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1otr h SER 26 CO -0.33 0.18 0.07 0.50 -0.87 0.00 0.00 176.83 176.38 1otr h LYS 27 N 0.33 0.16 -0.94 4.77 3.64 -1.65 -1.42 116.57 121.46 1otr h LYS 27 Ca 0.13 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1otr h LYS 27 Cb 0.04 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1otr h LYS 27 CO -0.08 0.10 0.61 -0.07 -2.27 0.00 0.00 179.45 177.74 1otr h LEU 28 N 0.16 0.99 -0.73 5.20 3.38 -1.18 -1.43 115.31 121.69 1otr h LEU 28 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1otr h LEU 28 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1otr h LEU 28 CO -0.06 0.66 0.33 -0.61 0.09 0.00 0.00 178.44 178.85 1otr h GLN 29 N 1.13 1.07 -0.03 1.13 4.15 -0.64 -1.83 115.11 120.10 1otr h GLN 29 Ca 0.39 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1otr h GLN 29 Cb 0.09 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 1otr h GLN 29 CO -0.13 0.85 0.02 0.28 -1.93 0.00 0.00 178.83 177.92 1otr h VAL 30 N 1.04 1.01 -0.50 2.39 2.07 -0.24 -1.49 116.25 120.53 1otr h VAL 30 Ca 0.25 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.75 1otr h VAL 30 Cb 0.15 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1otr h VAL 30 CO -0.03 0.01 0.32 0.45 0.02 0.00 0.00 177.57 178.35 1otr h HIS 31 N 0.04 0.61 -0.99 1.57 3.86 -1.21 0.17 115.15 119.19 1otr h HIS 31 Ca 0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1otr h HIS 31 Cb 0.00 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 1otr h HIS 31 CO -0.07 0.37 0.65 1.25 0.86 0.00 0.00 177.93 180.99 1otr h LEU 32 N 0.65 1.08 -0.26 2.43 5.85 -1.14 -2.54 115.31 121.37 1otr h LEU 32 Ca 0.19 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 1otr h LEU 32 Cb -0.05 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.74 1otr h LEU 32 CO -0.06 0.74 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.17 1otr h LEU 33 N 1.25 0.93 0.10 2.25 3.38 -0.71 -2.71 115.31 119.80 1otr h LEU 33 Ca 0.39 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1otr h LEU 33 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1otr h LEU 33 CO -0.12 1.30 -0.36 -0.33 0.09 0.00 0.00 178.44 179.02 1otr h GLU 34 N 0.60 -0.51 0.53 1.13 5.08 -0.55 -3.25 114.58 117.61 1otr h GLU 34 Ca 0.01 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1otr h GLU 34 Cb 1.15 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.52 1otr h GLU 34 CO 0.12 -0.34 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.63 1otr h ASN 35 N -0.53 -0.60 0.00 1.42 2.35 -1.66 -3.49 115.58 113.07 1otr h ASN 35 Ca -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1otr h ASN 35 Cb 0.53 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1otr h ASN 35 CO -0.18 -0.38 0.00 -3.20 -1.65 0.00 0.00 177.43 172.01 1otr n ASN 36 N -4.17 0.00 0.00 5.81 5.15 -1.03 -4.98 115.26 116.04 1otr n ASN 36 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1otr n ASN 36 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1otr n ASN 37 N 0.00 0.00 -4.84 1.20 0.23 -1.15 -4.53 115.26 106.17 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 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 6.77 -0.21 0.53 2.15 -1.26 -5.02 116.67 119.62 1otr s ASP 38 Ca 0.00 0.92 -0.20 0.00 0.43 0.00 0.00 52.55 53.70 1otr s ASP 38 Cb 0.00 -2.23 -0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1otr s ASP 38 CO 0.00 0.33 0.11 0.18 -0.17 0.00 0.00 175.17 175.62 1otr n LEU 39 N 1.81 1.87 -0.36 -1.34 4.77 -1.26 -3.33 117.00 119.16 1otr n LEU 39 Ca -0.14 0.42 -0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1otr n LEU 39 Cb 0.53 -0.94 0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1otr n LEU 39 CO 0.37 0.27 1.27 -2.24 -1.33 0.00 0.00 177.39 175.73 1otr h ASP 40 N -1.00 1.11 0.39 -1.43 2.03 -1.97 0.72 116.42 116.27 1otr h ASP 40 Ca -0.38 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 55.87 1otr h ASP 40 Cb 1.30 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 1otr h ASP 40 CO -0.23 0.81 -0.19 0.25 -1.03 0.00 0.00 179.24 178.86 1otr h LEU 41 N 1.31 -0.45 0.07 0.15 5.85 -1.99 -0.12 115.31 120.14 1otr h LEU 41 Ca 0.35 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1otr h LEU 41 Cb -0.14 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1otr h LEU 41 CO -0.07 -0.01 -0.20 0.74 -0.34 0.00 0.00 178.44 178.56 1otr h THR 42 N -1.05 0.54 -0.81 1.05 2.02 -1.55 -1.92 112.91 111.20 1otr h THR 42 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1otr h THR 42 Cb 0.51 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1otr h THR 42 CO 0.09 0.00 0.40 0.40 0.37 0.00 0.00 175.52 176.78 1otr h ILE 43 N -0.36 1.25 -0.85 3.11 2.04 -0.98 -1.99 117.51 119.73 1otr h ILE 43 Ca 0.04 -0.67 0.14 0.00 1.00 0.00 0.00 64.86 65.37 1otr h ILE 43 Cb 0.40 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1otr h ILE 43 CO -0.14 0.29 0.44 1.23 0.00 0.00 0.00 178.15 179.97 1otr h GLY 44 N 1.13 1.37 0.81 5.37 0.00 -0.53 0.25 103.07 111.48 1otr h GLY 44 Ca 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1otr h GLY 44 CO -0.04 -0.02 -0.01 1.41 0.00 0.00 0.00 176.54 177.88 1otr h LEU 45 N 0.64 0.33 -0.39 3.11 3.38 -0.84 -2.99 115.31 118.55 1otr h LEU 45 Ca 0.46 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1otr h LEU 45 Cb 0.63 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1otr h LEU 45 CO -0.35 0.57 0.23 -0.07 0.09 0.00 0.00 178.44 178.90 1otr h LEU 46 N 0.09 0.48 -0.91 1.67 3.38 -0.51 -2.64 115.31 116.86 1otr h LEU 46 Ca 0.05 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1otr h LEU 46 Cb 0.40 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1otr h LEU 46 CO 0.01 0.41 0.55 -0.07 0.09 0.00 0.00 178.44 179.43 1otr h LEU 47 N 0.51 0.80 -3.06 1.67 3.38 -0.57 -0.50 115.31 117.54 1otr h LEU 47 Ca 0.14 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1otr h LEU 47 Cb 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1otr h LEU 47 CO -0.02 0.45 0.09 1.17 0.09 0.00 0.00 178.44 180.21 1otr n LYS 48 N -4.68 1.17 -0.01 1.13 4.81 -1.00 -4.33 118.16 115.26 1otr n LYS 48 Ca 0.16 -0.34 -0.13 0.00 -0.87 0.00 0.00 58.31 57.13 1otr n LYS 48 Cb 0.31 -1.13 -0.10 0.00 0.02 0.00 0.00 35.03 34.12 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1otr h GLU 49 N 1.06 -0.04 -3.86 1.64 4.81 -1.14 -3.36 114.58 113.70 1otr h GLU 49 Ca 0.06 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.63 1otr h GLU 49 Cb 0.99 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1otr h GLU 49 CO 0.16 0.52 3.07 -1.71 -0.73 0.00 0.00 179.01 180.32 1otr n ASN 50 N -4.83 4.63 0.00 1.04 5.15 -1.26 -3.42 115.26 116.57 1otr n ASN 50 Ca -0.09 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 1otr n ASN 50 Cb 0.29 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 1otr n ASN 50 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1otr n ASP 51 N 5.74 0.00 -0.29 1.20 -0.08 -1.26 -4.95 116.55 116.91 1otr n ASP 51 Ca 0.56 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.80 1otr n ASP 51 Cb 0.34 0.18 0.07 0.00 2.34 0.00 0.00 41.12 44.05 1otr n ASP 51 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1otr h ASP 52 N 0.00 0.91 -3.94 1.67 5.19 -1.72 -3.42 116.42 115.10 1otr h ASP 52 Ca 0.00 -0.03 -0.54 0.00 -0.62 0.00 0.00 57.03 55.84 1otr h ASP 52 Cb 0.00 -0.23 0.11 0.00 0.18 0.00 0.00 39.33 39.40 1otr h ASP 52 CO 0.00 0.67 0.75 1.17 -3.12 0.00 0.00 179.24 178.72 1otr n LYS 53 N -4.52 2.54 0.00 3.56 4.81 -1.26 -5.22 118.16 118.07 1otr n LYS 53 Ca 0.08 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1otr n LYS 53 Cb 0.02 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.41 1otr n LYS 53 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02