#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 1.84 -3.71 6.41 5.75 -1.26 -5.03 116.55 120.56 1otr n ASP 7 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.55 1otr n ASP 7 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.00 -2.67 0.21 -1.12 -0.08 -1.26 -4.87 116.55 106.76 1otr n ASP 8 Ca 0.00 -0.76 0.09 0.00 -1.51 0.00 0.00 54.79 52.61 1otr n ASP 8 Cb 0.00 -4.25 0.39 0.00 2.34 0.00 0.00 41.12 39.60 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 -2.01 0.00 -1.00 -0.67 2.07 -2.01 -3.20 115.15 108.33 1otr h HIS 9 Ca -0.60 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.13 1otr h HIS 9 Cb 1.36 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.24 1otr h HIS 9 CO 0.49 0.25 0.62 1.05 -3.07 0.00 0.00 177.93 177.26 1otr h GLU 10 N 0.00 0.63 -0.26 5.12 4.11 -1.98 0.21 114.58 122.41 1otr h GLU 10 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.41 1otr h GLU 10 Cb 0.84 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1otr h GLU 10 CO 0.03 0.42 0.11 1.03 0.07 0.00 0.00 179.01 180.67 1otr h SER 11 N 0.65 0.15 -0.79 3.06 0.87 -1.95 0.21 113.55 115.74 1otr h SER 11 Ca 0.58 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 61.13 1otr h SER 11 Cb 1.07 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1otr h SER 11 CO -0.37 0.12 0.40 0.11 -0.53 0.00 0.00 176.83 176.56 1otr h LYS 12 N 0.24 1.14 -0.94 2.24 1.57 -0.98 -1.40 116.57 118.45 1otr h LYS 12 Ca 0.11 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1otr h LYS 12 Cb 0.05 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1otr h LYS 12 CO -0.09 0.87 0.62 1.25 -0.57 0.00 0.00 179.45 181.53 1otr h LEU 13 N 1.14 1.04 -0.53 2.94 5.85 0.40 -1.07 115.31 125.08 1otr h LEU 13 Ca 0.28 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 13 Cb 0.10 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1otr h LEU 13 CO -0.04 0.73 0.33 -1.28 -0.34 0.00 0.00 178.44 177.84 1otr h SER 14 N 1.22 0.63 -0.95 1.25 0.87 0.43 -0.35 113.55 116.64 1otr h SER 14 Ca 0.36 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.96 1otr h SER 14 Cb -0.04 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.69 1otr h SER 14 CO -0.10 0.49 0.60 0.40 -0.53 0.00 0.00 176.83 177.68 1otr h ILE 15 N 0.71 1.00 -0.79 2.23 1.08 -0.58 -0.18 117.51 120.98 1otr h ILE 15 Ca 0.19 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1otr h ILE 15 Cb -0.03 -0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 33.56 1otr h ILE 15 CO -0.04 0.19 0.43 -0.07 -0.69 0.00 0.00 178.15 177.97 1otr h LEU 16 N 1.03 1.00 0.03 1.44 3.38 -0.18 0.68 115.31 122.69 1otr h LEU 16 Ca 0.44 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1otr h LEU 16 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1otr h LEU 16 CO -0.21 0.82 -0.23 0.24 0.09 0.00 0.00 178.44 179.14 1otr h MET 17 N 1.10 -0.37 -0.01 1.13 2.86 0.57 -1.30 114.93 118.91 1otr h MET 17 Ca 0.28 0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.78 1otr h MET 17 Cb 0.04 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1otr h MET 17 CO -0.04 -0.25 -0.75 0.22 1.06 0.00 0.00 176.91 177.15 1otr h ASP 18 N -0.39 0.12 -0.91 1.22 1.82 -1.23 -3.20 116.42 113.85 1otr h ASP 18 Ca 0.05 -0.08 0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1otr h ASP 18 Cb 0.45 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.36 1otr h ASP 18 CO -0.19 0.82 0.59 -0.03 -1.61 0.00 0.00 179.24 178.82 1otr h MET 19 N 0.06 0.95 -3.93 0.28 4.05 0.91 -3.38 114.93 113.87 1otr h MET 19 Ca -0.02 -0.06 -0.56 0.00 -0.28 0.00 0.00 59.70 58.79 1otr h MET 19 Cb 1.31 -0.21 -0.39 0.00 -0.80 0.00 0.00 31.60 31.51 1otr h MET 19 CO 0.11 0.63 -0.78 -0.06 0.23 0.00 0.00 176.91 177.04 1otr s PHE 20 N -5.88 1.63 -1.13 1.39 0.08 -0.54 -5.04 117.98 108.50 1otr s PHE 20 Ca -0.11 -1.23 -0.08 0.00 0.12 0.00 0.00 56.93 55.63 1otr s PHE 20 Cb 0.20 -1.27 -0.08 0.00 -0.57 0.00 0.00 43.02 41.30 1otr s PHE 20 CO 0.80 -0.67 2.99 -0.35 -0.10 0.00 0.00 175.22 177.88 1otr n PRO 21 N 4.88 3.42 0.00 0.24 -0.04 -1.26 -3.80 135.00 138.44 1otr n PRO 21 Ca -0.10 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1otr n PRO 21 Cb 0.46 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1otr n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1otr n ALA 22 N 2.79 0.00 -2.30 0.55 0.00 -1.26 -5.12 120.51 115.17 1otr n ALA 22 Ca 0.66 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 1otr n ALA 22 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1otr n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1otr s ILE 23 N -1.68 3.95 0.66 0.00 1.09 -1.25 -5.02 121.20 118.95 1otr s ILE 23 Ca 0.00 1.49 -0.15 0.00 -1.10 0.00 0.00 60.65 60.89 1otr s ILE 23 Cb 0.00 -3.95 -0.00 0.00 -1.06 0.00 0.00 42.46 37.44 1otr s ILE 23 CO 0.00 0.17 1.12 -0.44 -0.10 0.00 0.00 174.94 175.69 1otr s SER 24 N 0.66 5.05 0.29 3.58 0.01 -1.26 -4.87 113.70 117.17 1otr s SER 24 Ca 0.56 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.89 1otr s SER 24 Cb -0.30 -2.56 0.53 0.00 0.21 0.00 0.00 66.02 63.91 1otr s SER 24 CO 0.32 -1.67 1.86 0.11 0.41 0.00 0.00 173.24 174.27 1otr h LYS 25 N 0.11 1.00 -0.13 12.44 1.57 -1.98 -2.33 116.57 127.26 1otr h LYS 25 Ca -0.47 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1otr h LYS 25 Cb 1.25 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1otr h LYS 25 CO 0.54 0.66 0.00 0.77 -0.57 0.00 0.00 179.45 180.85 1otr h SER 26 N 1.03 -0.04 0.03 0.86 0.02 -1.99 -0.35 113.55 113.11 1otr h SER 26 Ca 0.46 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1otr h SER 26 Cb 0.37 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1otr h SER 26 CO -0.22 -0.00 -0.02 0.50 -1.14 0.00 0.00 176.83 175.96 1otr h LYS 27 N 0.05 -0.04 -0.96 3.45 3.64 -1.81 -1.86 116.57 119.04 1otr h LYS 27 Ca 0.06 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1otr h LYS 27 Cb 0.07 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1otr h LYS 27 CO -0.10 0.00 0.61 -0.07 -2.27 0.00 0.00 179.45 177.62 1otr h LEU 28 N -0.08 0.95 -0.49 5.20 3.38 -1.30 -1.32 115.31 121.66 1otr h LEU 28 Ca -0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1otr h LEU 28 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1otr h LEU 28 CO 0.01 0.59 0.30 -0.61 0.09 0.00 0.00 178.44 178.82 1otr h GLN 29 N 1.08 0.57 -0.59 1.13 4.15 -0.71 -1.59 115.11 119.16 1otr h GLN 29 Ca 0.42 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.84 1otr h GLN 29 Cb 0.22 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 1otr h GLN 29 CO -0.19 0.38 0.35 0.28 -1.93 0.00 0.00 178.83 177.72 1otr h VAL 30 N 0.59 1.04 -0.39 2.39 2.07 -0.44 -0.86 116.25 120.64 1otr h VAL 30 Ca 0.19 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1otr h VAL 30 Cb 0.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1otr h VAL 30 CO -0.08 0.12 0.25 0.45 0.02 0.00 0.00 177.57 178.33 1otr h HIS 31 N 0.68 0.47 -0.53 1.57 3.86 -0.79 -1.52 115.15 118.90 1otr h HIS 31 Ca 0.24 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1otr h HIS 31 Cb 0.05 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1otr h HIS 31 CO -0.06 0.29 0.21 1.25 0.86 0.00 0.00 177.93 180.48 1otr h LEU 32 N 0.51 0.72 -0.52 2.43 5.85 -0.92 -0.64 115.31 122.74 1otr h LEU 32 Ca 0.15 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1otr h LEU 32 Cb -0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1otr h LEU 32 CO -0.05 0.69 0.29 -0.07 -0.34 0.00 0.00 178.44 178.97 1otr h LEU 33 N 0.71 0.45 -0.33 2.25 3.38 -0.89 -2.50 115.31 118.38 1otr h LEU 33 Ca 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1otr h LEU 33 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1otr h LEU 33 CO -0.02 0.32 0.09 -0.33 0.09 0.00 0.00 178.44 178.59 1otr h GLU 34 N 0.57 0.52 -1.02 1.13 4.39 -1.05 -2.52 114.58 116.61 1otr h GLU 34 Ca 0.22 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1otr h GLU 34 Cb 0.07 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1otr h GLU 34 CO -0.12 0.58 0.00 0.09 -1.16 0.00 0.00 179.01 178.40 1otr n ASN 35 N -4.64 2.68 0.00 1.42 3.02 -0.27 -4.88 115.26 112.58 1otr n ASN 35 Ca -0.02 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1otr n ASN 35 Cb 0.19 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.46 0.00 0.00 6.41 4.13 -0.95 -3.30 115.26 122.01 1otr n ASN 36 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1otr n ASN 36 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1otr n ASN 36 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1otr n ASN 37 N 0.89 0.00 -3.68 6.41 2.85 -1.23 -4.58 115.26 115.92 1otr n ASN 37 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 1otr n ASN 37 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1otr s ASP 38 N 0.00 -0.59 0.06 1.20 2.15 -1.21 -5.05 116.67 113.23 1otr s ASP 38 Ca 0.00 1.07 -0.15 0.00 0.43 0.00 0.00 52.55 53.91 1otr s ASP 38 Cb 0.00 1.06 -0.29 0.00 -0.30 0.00 0.00 42.92 43.40 1otr s ASP 38 CO 0.00 -0.21 1.11 -0.07 -0.17 0.00 0.00 175.17 175.83 1otr h LEU 39 N 7.30 0.88 -0.57 -1.34 3.38 -1.97 -2.94 115.31 120.05 1otr h LEU 39 Ca -0.31 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 56.93 1otr h LEU 39 Cb 1.18 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1otr h LEU 39 CO 0.23 1.61 0.23 -0.78 0.09 0.00 0.00 178.44 179.82 1otr h ASP 40 N 0.29 0.26 0.52 -0.43 3.58 -1.97 0.27 116.42 118.95 1otr h ASP 40 Ca -0.18 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1otr h ASP 40 Cb 1.91 0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.99 1otr h ASP 40 CO 0.24 0.17 -0.25 0.25 -2.88 0.00 0.00 179.24 176.76 1otr h LEU 41 N 0.43 -0.59 0.14 2.28 5.85 -1.97 0.03 115.31 121.48 1otr h LEU 41 Ca 0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1otr h LEU 41 Cb 0.30 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1otr h LEU 41 CO -0.26 -0.24 -0.37 0.74 -0.34 0.00 0.00 178.44 177.96 1otr h THR 42 N -1.07 0.00 -0.96 1.05 2.02 -1.45 -1.90 112.91 110.61 1otr h THR 42 Ca -0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1otr h THR 42 Cb 0.54 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.88 1otr h THR 42 CO 0.12 0.00 0.61 0.40 0.37 0.00 0.00 175.52 177.02 1otr h ILE 43 N -0.57 0.97 -0.73 3.11 2.04 -0.60 -1.21 117.51 120.52 1otr h ILE 43 Ca -0.01 -0.34 0.15 0.00 1.00 0.00 0.00 64.86 65.66 1otr h ILE 43 Cb 0.56 -0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1otr h ILE 43 CO -0.17 0.18 0.24 1.23 0.00 0.00 0.00 178.15 179.62 1otr h GLY 44 N 0.98 1.06 1.13 5.37 0.00 -0.24 0.52 103.07 111.89 1otr h GLY 44 Ca 0.45 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 1otr h GLY 44 CO -0.21 -0.14 -0.40 -2.00 0.00 0.00 0.00 176.54 173.79 1otr h LEU 45 N 0.36 1.00 -0.22 3.11 6.46 -0.51 -3.23 115.31 122.26 1otr h LEU 45 Ca 0.41 -0.47 0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1otr h LEU 45 Cb 0.65 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1otr h LEU 45 CO -0.44 1.27 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.56 1otr h LEU 46 N 0.75 -0.12 -0.34 2.25 -0.00 -0.15 -2.77 115.31 114.93 1otr h LEU 46 Ca 0.06 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.05 1otr h LEU 46 Cb 1.00 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.70 1otr h LEU 46 CO 0.10 -0.03 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.40 1otr h LEU 47 N 0.05 -0.22 -3.46 1.67 3.38 -1.11 -0.98 115.31 114.64 1otr h LEU 47 Ca 0.11 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1otr h LEU 47 Cb 0.14 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1otr h LEU 47 CO -0.19 -0.07 0.03 0.29 0.09 0.00 0.00 178.44 178.59 1otr n LYS 48 N -5.22 1.52 -0.13 1.13 5.02 -1.05 -4.49 118.16 114.94 1otr n LYS 48 Ca 0.01 -0.76 0.11 0.00 -2.02 0.00 0.00 58.31 55.65 1otr n LYS 48 Cb 0.18 -1.46 0.45 0.00 -0.02 0.00 0.00 35.03 34.19 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 1.73 0.50 -0.12 1.97 4.57 -1.10 -3.31 114.58 118.82 1otr h GLU 49 Ca 0.14 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.06 1otr h GLU 49 Cb 1.08 -0.11 -0.18 0.00 -0.16 0.00 0.00 28.75 29.37 1otr h GLU 49 CO 0.29 0.33 -0.45 0.27 -1.18 0.00 0.00 179.01 178.27 1otr n ASN 50 N -4.48 -1.40 -4.73 1.04 6.94 -1.26 -5.10 115.26 106.27 1otr n ASN 50 Ca 0.11 -2.44 -0.42 0.00 -0.02 0.00 0.00 54.58 51.81 1otr n ASN 50 Cb 0.36 0.77 -0.01 0.00 -2.36 0.00 0.00 39.78 38.54 1otr n ASN 50 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1otr n ASP 51 N -0.68 3.38 -4.70 0.53 2.03 -1.25 -4.89 116.55 110.98 1otr n ASP 51 Ca -0.04 1.20 -0.44 0.00 0.52 0.00 0.00 54.79 56.03 1otr n ASP 51 Cb 0.85 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.67 1otr n ASP 51 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1otr n ASP 52 N 1.09 3.46 -4.75 1.67 8.00 -1.26 -4.91 116.55 119.85 1otr n ASP 52 Ca 0.05 1.10 -0.41 0.00 0.71 0.00 0.00 54.79 56.24 1otr n ASP 52 Cb 0.37 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 39.94 1otr n ASP 52 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1otr s LYS 53 N 0.43 4.25 0.00 -1.24 2.20 -1.26 -5.26 119.74 118.87 1otr s LYS 53 Ca 0.73 2.34 0.03 0.00 -0.36 0.00 0.00 55.97 58.71 1otr s LYS 53 Cb -0.58 -3.08 0.17 0.00 -1.51 0.00 0.00 37.83 32.83 1otr s LYS 53 CO 0.41 -0.40 0.65 -1.13 -0.36 0.00 0.00 175.35 174.52