#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdl s ASN 2 N 0.00 5.03 0.47 4.39 -0.87 -1.26 -4.92 114.94 117.78 1hdl s ASN 2 Ca 0.00 1.92 0.27 0.00 -1.57 0.00 0.00 52.86 53.48 1hdl s ASN 2 Cb 0.00 -2.54 0.99 0.00 -0.02 0.00 0.00 41.25 39.68 1hdl s ASN 2 CO 0.00 -1.68 1.85 -0.33 -2.57 0.00 0.00 177.10 174.37 1hdl h GLU 3 N -0.26 0.00 -0.05 -0.60 5.08 -2.08 -2.93 114.58 113.75 1hdl h GLU 3 Ca -0.46 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 1hdl h GLU 3 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1hdl h GLU 3 CO 0.54 0.15 -0.60 -0.44 -1.00 0.00 0.00 179.01 177.65 1hdl h ASP 4 N 0.00 0.19 0.00 1.42 3.32 -2.03 -3.46 116.42 115.86 1hdl h ASP 4 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1hdl h ASP 4 Cb 0.71 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1hdl h ASP 4 CO 0.02 0.74 0.00 1.67 -1.72 0.00 0.00 179.24 179.95 1hdl n GLN 5 N -3.86 0.00 0.18 3.56 7.27 -1.11 -3.76 117.38 119.66 1hdl n GLN 5 Ca -0.02 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.17 1hdl n GLN 5 Cb 0.61 0.00 0.66 0.00 2.41 0.00 0.00 30.24 33.92 1hdl n GLN 5 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1hdl h GLU 6 N 0.00 0.00 -4.91 3.69 4.39 -1.92 -3.48 114.58 112.35 1hdl h GLU 6 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hdl h GLU 6 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1hdl h GLU 6 CO 0.00 0.00 -1.07 -0.12 -1.16 0.00 0.00 179.01 176.66 1hdl n MET 7 N -4.49 -4.16 0.00 2.33 0.00 -1.25 -4.76 117.12 104.80 1hdl n MET 7 Ca 0.01 3.09 0.11 0.00 -0.00 0.00 0.00 57.70 60.91 1hdl n MET 7 Cb 0.25 -4.14 0.66 0.00 0.00 0.00 0.00 33.22 29.99 1hdl n MET 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1hdl h HIS 9 N 0.00 0.67 -0.86 0.00 -0.00 -1.98 1.31 115.15 114.30 1hdl h HIS 9 Ca 0.00 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 1hdl h HIS 9 Cb 0.00 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.22 1hdl h HIS 9 CO 0.00 -0.38 0.52 0.93 -0.00 0.00 0.00 177.93 179.00 1hdl h GLU 10 N 0.10 0.88 -0.00 5.26 4.39 -1.92 -1.96 114.58 121.32 1hdl h GLU 10 Ca 0.76 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.40 1hdl h GLU 10 Cb 1.85 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1hdl h GLU 10 CO -0.75 0.58 -0.81 1.19 -1.16 0.00 0.00 179.01 178.06 1hdl n PHE 11 N -4.67 0.00 -0.31 4.33 3.01 0.30 -4.26 117.46 115.86 1hdl n PHE 11 Ca 0.13 0.00 0.35 0.00 1.01 0.00 0.00 57.45 58.94 1hdl n PHE 11 Cb 0.23 -0.06 0.72 0.00 -0.01 0.00 0.00 39.48 40.35 1hdl n PHE 11 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1hdl h GLN 12 N 0.23 0.00 0.00 -1.08 5.75 0.20 2.13 115.11 122.35 1hdl h GLN 12 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1hdl h GLN 12 Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1hdl h GLN 12 CO 0.00 0.00 -0.23 0.00 -2.65 0.00 0.00 178.83 175.95 1hdl h ALA 13 N 1.22 1.00 -0.31 3.38 0.00 -1.74 -2.67 119.26 120.12 1hdl h ALA 13 Ca 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1hdl h ALA 13 Cb 2.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1hdl h ALA 13 CO -0.01 0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.73 1hdl n PHE 14 N -3.37 1.01 -3.40 0.00 3.72 0.72 -4.84 117.46 111.30 1hdl n PHE 14 Ca 0.00 -0.36 -0.39 0.00 -0.05 0.00 0.00 57.45 56.65 1hdl n PHE 14 Cb 0.45 -0.27 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1hdl n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hdl s MET 15 N -1.86 4.00 -0.87 -1.08 0.23 -1.01 -2.53 119.30 116.18 1hdl s MET 15 Ca 0.28 0.01 -0.15 0.00 -1.03 0.00 0.00 55.69 54.80 1hdl s MET 15 Cb 0.21 -3.66 0.19 0.00 -1.53 0.00 0.00 34.83 30.04 1hdl s MET 15 CO 0.10 -0.28 0.90 0.21 -2.03 0.00 0.00 175.02 173.92 1hdl s LYS 16 N 2.05 3.62 -0.93 3.16 2.20 0.34 -4.51 119.74 125.68 1hdl s LYS 16 Ca 0.14 -2.26 -0.01 0.00 -0.36 0.00 0.00 55.97 53.49 1hdl s LYS 16 Cb -0.16 -4.60 -0.01 0.00 -1.51 0.00 0.00 37.83 31.55 1hdl s LYS 16 CO 0.10 -1.45 0.78 -1.71 -0.36 0.00 0.00 175.35 172.71 1hdl n ASN 17 N 4.79 -2.95 0.00 1.43 2.85 -1.26 -2.16 115.26 117.96 1hdl n ASN 17 Ca 0.18 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 1hdl n ASN 17 Cb 0.47 -4.20 0.00 0.00 1.24 0.00 0.00 39.78 37.29 1hdl n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hdl n GLY 18 N -1.15 1.26 3.24 8.20 0.00 -1.26 -4.97 105.19 110.50 1hdl n GLY 18 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1hdl n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hdl s LYS 19 N -0.03 2.52 -0.36 1.61 2.36 -0.92 -5.05 119.74 119.87 1hdl s LYS 19 Ca 0.00 -1.59 -0.27 0.00 -2.55 0.00 0.00 55.97 51.55 1hdl s LYS 19 Cb 0.00 -3.82 0.02 0.00 -1.05 0.00 0.00 37.83 32.98 1hdl s LYS 19 CO 0.00 -1.05 1.01 -1.17 1.55 0.00 0.00 175.35 175.69 1hdl s LEU 20 N 1.38 3.93 -0.95 5.43 1.98 -1.26 0.13 118.68 129.32 1hdl s LEU 20 Ca 0.04 0.78 -0.14 0.00 -2.89 0.00 0.00 54.13 51.92 1hdl s LEU 20 Cb -0.24 -3.40 0.22 0.00 0.66 0.00 0.00 46.19 43.42 1hdl s LEU 20 CO 0.01 -0.90 0.97 0.72 -1.89 0.00 0.00 176.35 175.26 1hdl s PHE 21 N 3.63 3.77 0.23 5.38 -0.12 -1.05 -4.89 117.98 124.92 1hdl s PHE 21 Ca 0.42 -2.08 -0.07 0.00 -0.05 0.00 0.00 56.93 55.15 1hdl s PHE 21 Cb -0.12 -3.94 0.39 0.00 -0.63 0.00 0.00 43.02 38.72 1hdl s PHE 21 CO 0.18 -1.10 1.70 0.00 -0.05 0.00 0.00 175.22 175.96 1hdl s PRO 23 N -6.07 1.49 -0.55 0.00 0.02 -1.26 -4.75 135.00 123.88 1hdl s PRO 23 Ca -0.13 -0.41 0.05 0.00 0.02 0.00 0.00 61.00 60.53 1hdl s PRO 23 Cb 0.20 -5.00 0.19 0.00 0.02 0.00 0.00 34.50 29.91 1hdl s PRO 23 CO 0.75 -5.04 0.47 0.94 -0.33 0.00 0.00 177.00 173.79 1hdl n GLN 24 N 8.31 1.16 -3.50 5.54 7.27 -1.25 -4.88 117.38 130.03 1hdl n GLN 24 Ca 0.43 -3.87 -0.20 0.00 0.07 0.00 0.00 57.00 53.43 1hdl n GLN 24 Cb 0.46 -1.92 0.06 0.00 2.41 0.00 0.00 30.24 31.25 1hdl n GLN 24 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1hdl n ASP 25 N 2.08 -3.66 0.08 1.69 2.03 -1.26 -4.79 116.55 112.72 1hdl n ASP 25 Ca 0.25 -0.77 0.05 0.00 0.52 0.00 0.00 54.79 54.83 1hdl n ASP 25 Cb 0.43 -4.54 0.25 0.00 -0.72 0.00 0.00 41.12 36.55 1hdl n ASP 25 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hdl n LYS 26 N -3.92 0.06 -0.29 -0.67 5.02 -1.26 -2.83 118.16 114.28 1hdl n LYS 26 Ca -0.20 0.52 0.32 0.00 -2.02 0.00 0.00 58.31 56.94 1hdl n LYS 26 Cb 0.65 -1.79 0.52 0.00 -0.02 0.00 0.00 35.03 34.38 1hdl n LYS 26 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1hdl h LYS 27 N 0.00 0.00 -1.51 1.97 1.79 -1.97 0.11 116.57 116.96 1hdl h LYS 27 Ca 0.00 0.00 0.44 0.00 -2.18 0.00 0.00 60.65 58.91 1hdl h LYS 27 Cb 0.18 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 1hdl h LYS 27 CO 0.00 0.00 1.26 0.74 -1.08 0.00 0.00 179.45 180.37 1hdl h PHE 28 N 0.00 0.00 -1.02 -1.35 0.04 -1.83 0.14 116.94 112.92 1hdl h PHE 28 Ca 0.56 0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.62 1hdl h PHE 28 Cb 3.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 41.11 1hdl h PHE 28 CO 0.00 0.00 1.13 0.35 -0.60 0.00 0.00 178.31 179.19 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 -0.91 1.01 116.94 119.53 1hdl h PHE 29 Ca 0.72 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.67 1hdl h PHE 29 Cb 3.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 41.74 1hdl h PHE 29 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 178.31 177.33 1hdl n GLN 30 N -3.36 0.02 -4.07 1.11 6.02 0.48 -4.31 117.38 113.27 1hdl n GLN 30 Ca 0.23 0.36 -0.13 0.00 -0.01 0.00 0.00 57.00 57.44 1hdl n GLN 30 Cb 1.44 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 31.08 1hdl n GLN 30 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1hdl s SER 31 N -2.89 0.67 0.14 1.08 0.01 0.35 -5.01 113.70 108.06 1hdl s SER 31 Ca 0.03 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1hdl s SER 31 Cb 0.04 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1hdl s SER 31 CO 0.10 -0.13 1.57 0.25 0.41 0.00 0.00 173.24 175.44 1hdl h LEU 32 N 5.02 -1.54 -1.41 2.44 6.46 -1.82 1.42 115.31 125.88 1hdl h LEU 32 Ca -0.33 0.22 0.21 0.00 -0.12 0.00 0.00 57.88 57.87 1hdl h LEU 32 Cb 1.20 0.65 -0.08 0.00 -0.73 0.00 0.00 40.66 41.71 1hdl h LEU 32 CO 0.44 -0.39 0.62 0.44 -0.62 0.00 0.00 178.44 178.93 1hdl h ASP 33 N -0.37 0.47 -0.12 1.25 3.32 -1.96 0.37 116.42 119.39 1hdl h ASP 33 Ca 0.11 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1hdl h ASP 33 Cb 0.60 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1hdl h ASP 33 CO -0.56 0.17 -0.54 1.23 -1.72 0.00 0.00 179.24 177.82 1hdl h GLY 34 N 0.46 0.63 1.42 2.75 0.00 0.09 -3.01 103.07 105.41 1hdl h GLY 34 Ca 0.51 -0.88 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1hdl h GLY 34 CO -0.23 0.79 0.34 -2.22 0.00 0.00 0.00 176.54 175.22 1hdl h ILE 35 N 0.20 1.07 0.87 2.60 1.08 0.53 -2.84 117.51 121.02 1hdl h ILE 35 Ca -0.03 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1hdl h ILE 35 Cb 1.18 0.41 0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1hdl h ILE 35 CO 0.11 0.11 -0.42 0.24 -0.69 0.00 0.00 178.15 177.50 1hdl h MET 36 N 0.61 -1.13 -0.76 2.37 2.86 -0.42 -2.51 114.93 115.94 1hdl h MET 36 Ca 0.20 0.08 0.12 0.00 -2.06 0.00 0.00 59.70 58.04 1hdl h MET 36 Cb 0.06 0.26 -0.13 0.00 0.06 0.00 0.00 31.60 31.84 1hdl h MET 36 CO -0.05 -0.75 -0.36 0.35 1.06 0.00 0.00 176.91 177.16 1hdl h PHE 37 N -1.27 -1.01 -1.00 -0.22 3.04 -1.38 1.01 116.94 116.11 1hdl h PHE 37 Ca -0.12 0.09 0.21 0.00 3.98 0.00 0.00 57.97 62.13 1hdl h PHE 37 Cb 0.90 0.55 -0.10 0.00 2.56 0.00 0.00 35.95 39.86 1hdl h PHE 37 CO -0.00 -0.39 0.62 0.82 -2.02 0.00 0.00 178.31 177.33 1hdl h ILE 38 N -0.10 0.65 -0.73 1.41 2.04 -1.45 1.50 117.51 120.84 1hdl h ILE 38 Ca 0.28 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1hdl h ILE 38 Cb 0.57 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1hdl h ILE 38 CO -0.81 0.12 0.33 0.78 0.00 0.00 0.00 178.15 178.57 1hdl h ASN 39 N 0.66 0.96 1.13 1.72 2.35 0.15 -2.24 115.58 120.31 1hdl h ASN 39 Ca 0.58 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1hdl h ASN 39 Cb 1.06 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1hdl h ASN 39 CO -0.37 0.83 -0.70 0.11 -1.65 0.00 0.00 177.43 175.64 1hdl h LYS 40 N 1.04 0.00 0.14 0.81 1.57 0.76 -3.26 116.57 117.63 1hdl h LYS 40 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1hdl h LYS 40 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1hdl h LYS 40 CO -0.03 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.74 1hdl h ALA 42 N -1.63 1.39 0.00 0.00 0.00 -1.74 -1.13 119.26 116.14 1hdl h ALA 42 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hdl h ALA 42 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hdl h ALA 42 CO 0.00 0.30 -0.01 1.15 0.00 0.00 0.00 179.25 180.69 1hdl h THR 43 N 0.00 0.00 0.00 0.00 2.02 -1.54 -3.21 112.91 110.18 1hdl h THR 43 Ca -0.00 -0.89 -0.24 0.00 0.77 0.00 0.00 66.41 66.05 1hdl h THR 43 Cb 0.49 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 1hdl h THR 43 CO 0.03 0.00 -1.40 0.00 0.37 0.00 0.00 175.52 174.52 1hdl h LYS 45 N -1.00 0.00 0.00 0.00 2.10 -1.37 0.53 116.57 116.83 1hdl h LYS 45 Ca -0.36 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.21 1hdl h LYS 45 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1hdl h LYS 45 CO -0.22 0.00 -0.38 0.00 -2.00 0.00 0.00 179.45 176.85 1hdl h MET 46 N 0.00 0.00 -0.12 0.07 -0.00 -1.71 -3.01 114.93 110.17 1hdl h MET 46 Ca 0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.75 1hdl h MET 46 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.63 1hdl h MET 46 CO -0.00 0.38 -0.55 0.82 -0.00 0.00 0.00 176.91 177.55 1hdl h ILE 47 N 0.00 1.35 -0.32 -0.10 1.08 -0.05 -3.13 117.51 116.34 1hdl h ILE 47 Ca -0.00 -1.85 -0.11 0.00 -0.39 0.00 0.00 64.86 62.51 1hdl h ILE 47 Cb 0.99 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 1hdl h ILE 47 CO 0.05 0.56 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.75 1hdl h LEU 48 N 0.27 0.77 -1.47 1.44 3.38 -1.45 -2.69 115.31 115.56 1hdl h LEU 48 Ca 0.00 -0.44 0.21 0.00 0.09 0.00 0.00 57.88 57.74 1hdl h LEU 48 Cb 1.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1hdl h LEU 48 CO 0.09 1.05 0.86 -0.33 0.09 0.00 0.00 178.44 180.21 1hdl h GLU 49 N 0.50 0.00 0.00 1.13 5.08 -1.47 1.62 114.58 121.44 1hdl h GLU 49 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1hdl h GLU 49 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1hdl h GLU 49 CO 0.06 0.00 -0.45 0.87 -1.00 0.00 0.00 179.01 178.50 1hdl h LYS 50 N 0.00 0.00 0.00 2.33 1.79 -1.58 -2.92 116.57 116.20 1hdl h LYS 50 Ca 0.35 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.70 1hdl h LYS 50 Cb 2.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.70 1hdl h LYS 50 CO -0.00 0.45 -0.56 1.49 -1.08 0.00 0.00 179.45 179.75 1hdl h GLU 51 N 0.00 0.00 0.00 3.15 4.81 0.23 -3.06 114.58 119.71 1hdl h GLU 51 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1hdl h GLU 51 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1hdl h GLU 51 CO 0.06 0.56 -0.35 0.00 -0.73 0.00 0.00 179.01 178.55 1hdl h ALA 52 N 1.44 0.80 0.00 2.92 0.00 -1.44 -3.19 119.26 119.79 1hdl h ALA 52 Ca -0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1hdl h ALA 52 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1hdl h ALA 52 CO 0.07 0.43 -0.73 -0.22 0.00 0.00 0.00 179.25 178.80 1hdl h LYS 53 N 0.00 0.00 0.00 0.00 3.64 -1.43 -3.11 116.57 115.67 1hdl h LYS 53 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1hdl h LYS 53 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1hdl h LYS 53 CO 0.04 0.73 -0.28 0.77 -2.27 0.00 0.00 179.45 178.45 1hdl h SER 54 N 0.00 0.00 0.00 4.20 0.02 -1.54 -3.52 113.55 112.71 1hdl h SER 54 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1hdl h SER 54 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1hdl h SER 54 CO 0.10 0.28 0.00 1.67 -1.14 0.00 0.00 176.83 177.73