#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 -2.67 1.20 2.03 -1.26 -4.98 116.55 110.87 1otr n ASP 7 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1otr n ASP 7 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1otr n ASP 8 N -1.40 -0.05 0.17 1.67 8.00 -1.26 -4.91 116.55 118.77 1otr n ASP 8 Ca 0.00 -2.12 0.05 0.00 0.71 0.00 0.00 54.79 53.43 1otr n ASP 8 Cb 0.00 0.14 0.18 0.00 -0.02 0.00 0.00 41.12 41.42 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1otr h HIS 9 N 1.68 0.00 -0.97 1.24 2.07 -1.98 -3.26 115.15 113.94 1otr h HIS 9 Ca -0.31 0.00 0.18 0.00 -2.85 0.00 0.00 60.37 57.39 1otr h HIS 9 Cb 1.30 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.18 1otr h HIS 9 CO 0.18 0.38 0.56 0.93 -3.07 0.00 0.00 177.93 176.92 1otr h GLU 10 N 0.00 0.69 -0.39 5.12 3.07 -1.98 0.26 114.58 121.35 1otr h GLU 10 Ca -0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1otr h GLU 10 Cb 1.14 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 1otr h GLU 10 CO 0.05 0.46 0.24 0.77 -1.40 0.00 0.00 179.01 179.13 1otr h SER 11 N 0.71 0.40 -0.75 1.42 0.02 -1.98 0.14 113.55 113.51 1otr h SER 11 Ca 0.56 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.47 1otr h SER 11 Cb 0.86 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1otr h SER 11 CO -0.39 0.29 0.33 0.11 -1.14 0.00 0.00 176.83 176.04 1otr h LYS 12 N 0.49 1.10 -0.89 3.45 1.57 -1.02 -1.75 116.57 119.53 1otr h LYS 12 Ca 0.15 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1otr h LYS 12 Cb -0.02 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1otr h LYS 12 CO -0.06 0.88 0.59 1.25 -0.57 0.00 0.00 179.45 181.54 1otr h LEU 13 N 1.07 1.01 -0.51 2.94 5.85 0.17 -1.00 115.31 124.84 1otr h LEU 13 Ca 0.25 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1otr h LEU 13 Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1otr h LEU 13 CO -0.03 0.72 0.32 -1.28 -0.34 0.00 0.00 178.44 177.83 1otr h SER 14 N 1.18 0.60 -0.93 1.25 0.87 0.06 -0.46 113.55 116.13 1otr h SER 14 Ca 0.33 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.94 1otr h SER 14 Cb -0.10 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.63 1otr h SER 14 CO -0.08 0.47 0.58 0.40 -0.53 0.00 0.00 176.83 177.66 1otr h ILE 15 N 0.68 0.98 -0.48 2.23 1.08 -0.41 -1.26 117.51 120.33 1otr h ILE 15 Ca 0.18 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1otr h ILE 15 Cb -0.03 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 33.60 1otr h ILE 15 CO -0.04 0.18 0.22 -0.07 -0.69 0.00 0.00 178.15 177.76 1otr h LEU 16 N 0.98 0.64 -0.27 1.44 3.38 -0.13 0.85 115.31 122.21 1otr h LEU 16 Ca 0.43 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1otr h LEU 16 Cb 0.32 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1otr h LEU 16 CO -0.22 0.60 -0.06 0.24 0.09 0.00 0.00 178.44 179.09 1otr h MET 17 N 0.64 0.00 -0.02 1.13 2.86 0.03 0.14 114.93 119.71 1otr h MET 17 Ca 0.16 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 1otr h MET 17 Cb 0.14 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1otr h MET 17 CO -0.02 0.00 -0.73 -0.44 1.06 0.00 0.00 176.91 176.79 1otr h ASP 18 N 0.00 0.14 -0.71 1.22 5.19 -1.22 -3.19 116.42 117.86 1otr h ASP 18 Ca 0.13 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1otr h ASP 18 Cb 0.19 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1otr h ASP 18 CO -0.27 0.82 0.32 -0.03 -3.12 0.00 0.00 179.24 176.96 1otr h MET 19 N 0.08 1.05 -3.84 3.56 4.05 0.17 -3.38 114.93 116.63 1otr h MET 19 Ca -0.02 -0.16 -0.61 0.00 -0.28 0.00 0.00 59.70 58.63 1otr h MET 19 Cb 1.29 -0.19 -0.40 0.00 -0.80 0.00 0.00 31.60 31.50 1otr h MET 19 CO 0.10 0.83 -0.74 -0.06 0.23 0.00 0.00 176.91 177.28 1otr s PHE 20 N -5.54 2.44 -0.04 1.39 0.08 0.41 -5.01 117.98 111.71 1otr s PHE 20 Ca -0.11 -2.27 -0.06 0.00 0.12 0.00 0.00 56.93 54.61 1otr s PHE 20 Cb 0.16 -2.16 -0.24 0.00 -0.57 0.00 0.00 43.02 40.21 1otr s PHE 20 CO 0.82 -0.88 3.36 -0.35 -0.10 0.00 0.00 175.22 178.06 1otr n PRO 21 N 4.45 1.87 0.00 0.24 -0.04 -1.25 -3.44 135.00 136.83 1otr n PRO 21 Ca 0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1otr n PRO 21 Cb 0.41 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 2.57 0.00 -1.79 0.55 0.00 -1.26 -5.12 120.51 115.46 1otr n ALA 22 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1otr n ALA 22 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.12 2.19 0.40 0.00 1.01 -1.22 -4.94 121.20 117.52 1otr s ILE 23 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 1otr s ILE 23 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 1otr s ILE 23 CO 0.00 0.02 1.29 -0.94 0.00 0.00 0.00 174.94 175.30 1otr s SER 24 N 0.95 6.33 0.41 3.58 1.04 -1.26 -4.88 113.70 119.87 1otr s SER 24 Ca 0.70 2.63 0.15 0.00 0.48 0.00 0.00 55.95 59.90 1otr s SER 24 Cb -0.48 -2.64 1.01 0.00 0.10 0.00 0.00 66.02 64.01 1otr s SER 24 CO 0.37 -0.83 1.88 0.50 0.98 0.00 0.00 173.24 176.13 1otr h LYS 25 N 2.68 0.47 -0.17 4.02 3.64 -1.98 -1.36 116.57 123.86 1otr h LYS 25 Ca -0.49 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1otr h LYS 25 Cb 1.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1otr h LYS 25 CO 0.63 0.31 -0.01 0.77 -2.27 0.00 0.00 179.45 178.87 1otr h SER 26 N 0.48 -0.10 -0.47 4.20 0.02 -2.00 -1.13 113.55 114.56 1otr h SER 26 Ca 0.43 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.40 1otr h SER 26 Cb 0.94 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1otr h SER 26 CO -0.16 -0.03 0.20 0.50 -1.14 0.00 0.00 176.83 176.20 1otr h LYS 27 N 0.03 0.69 -0.63 3.45 3.64 -1.64 -1.72 116.57 120.39 1otr h LYS 27 Ca 0.08 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1otr h LYS 27 Cb 0.10 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1otr h LYS 27 CO -0.15 0.61 0.35 -0.07 -2.27 0.00 0.00 179.45 177.92 1otr h LEU 28 N 0.61 0.52 -0.44 5.20 3.38 -1.12 -1.29 115.31 122.17 1otr h LEU 28 Ca 0.16 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1otr h LEU 28 Cb 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1otr h LEU 28 CO -0.02 0.34 0.05 -0.61 0.09 0.00 0.00 178.44 178.29 1otr h GLN 29 N 0.65 0.75 0.65 1.13 4.15 -1.01 -1.72 115.11 119.71 1otr h GLN 29 Ca 0.28 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1otr h GLN 29 Cb 0.16 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1otr h GLN 29 CO -0.17 0.79 -0.31 0.28 -1.93 0.00 0.00 178.83 177.49 1otr h VAL 30 N 0.60 0.35 -0.65 2.39 2.07 -0.82 -1.17 116.25 119.03 1otr h VAL 30 Ca 0.13 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1otr h VAL 30 Cb 0.42 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1otr h VAL 30 CO 0.01 0.01 0.37 1.12 0.02 0.00 0.00 177.57 179.10 1otr h HIS 31 N -0.90 0.89 -0.34 1.57 2.07 -1.31 -2.20 115.15 114.92 1otr h HIS 31 Ca -0.09 -0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.45 1otr h HIS 31 Cb 0.68 -0.29 -0.04 0.00 2.57 0.00 0.00 27.41 30.33 1otr h HIS 31 CO -0.02 0.63 0.12 1.25 -3.07 0.00 0.00 177.93 176.83 1otr h LEU 32 N 0.89 0.13 -0.13 6.12 5.85 -1.26 0.11 115.31 127.03 1otr h LEU 32 Ca 0.23 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1otr h LEU 32 Cb 0.02 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1otr h LEU 32 CO -0.04 0.11 0.07 -0.07 -0.34 0.00 0.00 178.44 178.17 1otr h LEU 33 N 0.27 0.16 -0.36 2.25 3.38 -0.98 0.45 115.31 120.47 1otr h LEU 33 Ca 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1otr h LEU 33 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1otr h LEU 33 CO -0.16 0.18 0.15 -0.33 0.09 0.00 0.00 178.44 178.37 1otr h GLU 34 N 0.11 0.54 -1.44 1.13 4.39 -1.18 -2.96 114.58 115.19 1otr h GLU 34 Ca 0.04 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1otr h GLU 34 Cb 0.06 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1otr h GLU 34 CO -0.01 0.52 0.00 0.09 -1.16 0.00 0.00 179.01 178.46 1otr n ASN 35 N -4.68 3.42 -4.16 1.42 3.02 0.00 -4.77 115.26 109.51 1otr n ASN 35 Ca -0.01 -1.95 -0.34 0.00 -0.03 0.00 0.00 54.58 52.25 1otr n ASN 35 Cb 0.14 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.92 -2.92 -3.66 6.41 3.02 -1.12 -0.48 115.26 117.44 1otr n ASN 36 Ca 0.00 -1.00 -0.27 0.00 -0.03 0.00 0.00 54.58 53.29 1otr n ASN 36 Cb 0.44 -2.88 0.04 0.00 -0.61 0.00 0.00 39.78 36.77 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otr n ASN 37 N -2.72 -5.37 -4.73 6.41 3.02 0.16 -4.96 115.26 107.06 1otr n ASN 37 Ca 0.01 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 1otr n ASN 37 Cb 0.53 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1otr s ASP 38 N -3.17 6.63 -0.22 6.41 2.15 0.37 -4.98 116.67 123.85 1otr s ASP 38 Ca 0.58 0.74 -0.08 0.00 0.43 0.00 0.00 52.55 54.22 1otr s ASP 38 Cb -0.28 -2.25 -0.18 0.00 -0.30 0.00 0.00 42.92 39.91 1otr s ASP 38 CO 0.71 0.06 -0.04 0.18 -0.17 0.00 0.00 175.17 175.91 1otr n LEU 39 N 3.46 2.48 0.04 -1.34 4.77 -1.26 -3.74 117.00 121.42 1otr n LEU 39 Ca -0.09 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1otr n LEU 39 Cb 0.52 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1otr n LEU 39 CO 0.42 0.73 0.82 -0.78 -1.33 0.00 0.00 177.39 177.24 1otr h ASP 40 N -0.37 -0.22 0.23 -1.43 3.58 -1.98 0.43 116.42 116.67 1otr h ASP 40 Ca -0.54 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1otr h ASP 40 Cb 1.78 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1otr h ASP 40 CO -0.14 -0.11 -0.11 0.25 -2.88 0.00 0.00 179.24 176.25 1otr h LEU 41 N -0.12 -0.26 0.16 2.28 5.85 -1.98 -0.94 115.31 120.29 1otr h LEU 41 Ca 0.04 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1otr h LEU 41 Cb 0.17 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1otr h LEU 41 CO -0.09 0.21 -0.34 0.74 -0.34 0.00 0.00 178.44 178.62 1otr h THR 42 N -0.83 0.28 -0.87 1.05 2.02 -1.64 -2.01 112.91 110.91 1otr h THR 42 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1otr h THR 42 Cb 0.51 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1otr h THR 42 CO 0.05 0.00 0.55 0.40 0.37 0.00 0.00 175.52 176.89 1otr h ILE 43 N -0.60 1.23 -0.64 3.11 2.04 -1.03 -1.74 117.51 119.90 1otr h ILE 43 Ca 0.02 -0.47 0.13 0.00 1.00 0.00 0.00 64.86 65.54 1otr h ILE 43 Cb 0.61 -0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 1otr h ILE 43 CO -0.17 0.23 0.09 1.23 0.00 0.00 0.00 178.15 179.54 1otr h GLY 44 N 1.18 0.79 1.26 5.37 0.00 -0.62 0.16 103.07 111.20 1otr h GLY 44 Ca 0.31 0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 1otr h GLY 44 CO -0.06 -0.16 -0.41 -2.00 0.00 0.00 0.00 176.54 173.90 1otr h LEU 45 N 0.21 0.86 -1.39 3.11 5.85 -1.00 -3.07 115.31 119.88 1otr h LEU 45 Ca 0.34 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1otr h LEU 45 Cb 0.54 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1otr h LEU 45 CO -0.47 1.16 0.17 -0.07 -0.34 0.00 0.00 178.44 178.89 1otr h LEU 46 N 0.65 0.53 -0.09 2.25 3.38 -0.20 -2.68 115.31 119.15 1otr h LEU 46 Ca 0.05 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1otr h LEU 46 Cb 0.98 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1otr h LEU 46 CO 0.09 0.48 -0.08 -0.07 0.09 0.00 0.00 178.44 178.95 1otr h LEU 47 N 0.59 -0.24 -0.99 1.67 3.38 -0.67 -2.56 115.31 116.49 1otr h LEU 47 Ca 0.15 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1otr h LEU 47 Cb 0.11 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1otr h LEU 47 CO -0.02 -0.11 -0.14 0.07 0.09 0.00 0.00 178.44 178.34 1otr h LYS 48 N -0.09 0.57 -0.89 1.13 2.10 -1.59 -3.04 116.57 114.76 1otr h LYS 48 Ca 0.06 -0.18 0.21 0.00 -2.00 0.00 0.00 60.65 58.75 1otr h LYS 48 Cb 0.18 -0.05 -0.12 0.00 -0.90 0.00 0.00 32.23 31.34 1otr h LYS 48 CO -0.15 0.69 0.40 0.93 -2.00 0.00 0.00 179.45 179.33 1otr h GLU 49 N 0.52 0.43 -2.00 0.07 4.39 -1.12 -0.68 114.58 116.18 1otr h GLU 49 Ca 0.09 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1otr h GLU 49 Cb 0.55 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1otr h GLU 49 CO 0.03 0.28 -0.22 -1.71 -1.16 0.00 0.00 179.01 176.23 1otr n ASN 50 N -5.01 5.25 -0.00 1.42 2.85 -1.15 -4.38 115.26 114.24 1otr n ASN 50 Ca 0.21 -2.44 -0.12 0.00 -0.11 0.00 0.00 54.58 52.12 1otr n ASN 50 Cb 0.62 -1.29 -0.10 0.00 1.24 0.00 0.00 39.78 40.26 1otr n ASN 50 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1otr h ASP 51 N 2.18 -0.06 -2.25 1.20 1.82 -1.33 -3.48 116.42 114.49 1otr h ASP 51 Ca 0.11 -0.55 0.18 0.00 -0.39 0.00 0.00 57.03 56.37 1otr h ASP 51 Cb 1.29 0.02 -0.32 0.00 0.68 0.00 0.00 39.33 41.00 1otr h ASP 51 CO 0.13 0.56 0.74 -0.62 -1.61 0.00 0.00 179.24 178.44 1otr s ASP 52 N -5.73 -0.14 0.03 2.28 2.15 -1.26 -5.06 116.67 108.93 1otr s ASP 52 Ca -0.15 0.25 -0.24 0.00 0.43 0.00 0.00 52.55 52.83 1otr s ASP 52 Cb 0.00 0.66 -0.17 0.00 -0.30 0.00 0.00 42.92 43.11 1otr s ASP 52 CO 0.61 -0.04 1.47 0.11 -0.17 0.00 0.00 175.17 177.15 1otr h LYS 53 N 4.34 0.04 0.00 4.34 1.57 -1.93 -3.53 116.57 121.40 1otr h LYS 53 Ca -0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1otr h LYS 53 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1otr h LYS 53 CO 0.20 0.31 0.00 0.45 -0.57 0.00 0.00 179.45 179.84