#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 6.66 0.37 -5.58 0.02 -1.26 -4.97 114.94 110.18 1hdl s ASN 2 Ca 0.00 0.80 0.26 0.00 -1.02 0.00 0.00 52.86 52.91 1hdl s ASN 2 Cb 0.00 -2.18 0.78 0.00 0.02 0.00 0.00 41.25 39.87 1hdl s ASN 2 CO 0.00 0.23 1.75 -0.33 0.02 0.00 0.00 177.10 178.76 1hdl h GLU 3 N 4.03 0.00 -2.97 -0.60 5.08 -2.03 -3.46 114.58 114.62 1hdl h GLU 3 Ca -0.50 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 1hdl h GLU 3 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1hdl h GLU 3 CO 0.65 0.00 -0.14 -0.25 -1.00 0.00 0.00 179.01 178.26 1hdl n ASP 4 N -2.72 -2.11 0.00 1.42 8.00 -1.26 -4.62 116.55 115.27 1hdl n ASP 4 Ca 0.04 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1hdl n ASP 4 Cb 0.41 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 1hdl n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hdl n GLN 5 N -2.02 4.26 -1.00 -1.24 6.02 -1.26 -4.75 117.38 117.40 1hdl n GLN 5 Ca -0.07 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.93 1hdl n GLN 5 Cb 0.38 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.05 1hdl n GLN 5 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1hdl n GLU 6 N -0.99 0.00 -0.33 -1.09 0.28 -1.26 -4.81 120.64 112.43 1hdl n GLU 6 Ca 0.00 -1.35 0.17 0.00 -0.16 0.00 0.00 57.16 55.81 1hdl n GLU 6 Cb 0.00 -0.11 0.33 0.00 1.43 0.00 0.00 31.44 33.09 1hdl n GLU 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1hdl h MET 7 N 0.44 0.03 -5.78 3.44 2.86 -1.93 -3.35 114.93 110.65 1hdl h MET 7 Ca -0.17 -0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.88 1hdl h MET 7 Cb 1.59 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.16 1hdl h MET 7 CO 0.01 0.02 0.16 0.00 1.06 0.00 0.00 176.91 178.16 1hdl n HIS 9 N 4.85 0.00 -0.15 0.00 -0.00 -1.26 -4.02 115.22 114.64 1hdl n HIS 9 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 1hdl n HIS 9 Cb 0.50 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 1hdl n HIS 9 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1hdl h GLU 10 N 0.00 0.76 0.00 -1.40 4.57 -1.94 -3.08 114.58 113.48 1hdl h GLU 10 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1hdl h GLU 10 Cb 0.39 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1hdl h GLU 10 CO 0.00 0.84 -0.88 1.19 -1.18 0.00 0.00 179.01 178.98 1hdl n PHE 11 N -4.40 0.40 -0.09 0.92 3.01 -1.26 -4.09 117.46 111.94 1hdl n PHE 11 Ca -0.00 0.12 0.26 0.00 1.01 0.00 0.00 57.45 58.83 1hdl n PHE 11 Cb 0.30 -0.54 0.60 0.00 -0.01 0.00 0.00 39.48 39.83 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 0.00 0.00 0.00 -1.08 4.15 -1.67 1.81 115.11 118.31 1hdl h GLN 12 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1hdl h GLN 12 Cb 0.75 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 1hdl h GLN 12 CO 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 178.83 176.86 1hdl h ALA 13 N 1.02 0.97 -0.24 3.38 0.00 -1.73 -3.15 119.26 119.51 1hdl h ALA 13 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1hdl h ALA 13 Cb 2.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1hdl h ALA 13 CO -0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.48 1hdl n PHE 14 N -3.11 0.79 -2.90 0.00 3.72 0.61 -4.89 117.46 111.68 1hdl n PHE 14 Ca 0.04 -0.28 -0.37 0.00 -0.05 0.00 0.00 57.45 56.79 1hdl n PHE 14 Cb 0.54 -0.23 -0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1hdl n PHE 14 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1hdl s MET 15 N -1.70 4.47 -0.44 -1.08 -1.94 -1.19 -2.41 119.30 115.01 1hdl s MET 15 Ca 0.22 1.17 0.02 0.00 -1.71 0.00 0.00 55.69 55.39 1hdl s MET 15 Cb 0.16 -2.84 0.13 0.00 2.01 0.00 0.00 34.83 34.29 1hdl s MET 15 CO 0.07 0.33 0.23 0.21 -0.01 0.00 0.00 175.02 175.85 1hdl s LYS 16 N -2.00 1.39 -1.27 2.03 2.20 0.72 -4.83 119.74 117.98 1hdl s LYS 16 Ca 0.47 -2.06 -0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1hdl s LYS 16 Cb -0.18 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1hdl s LYS 16 CO 0.23 -1.13 0.81 0.09 -0.36 0.00 0.00 175.35 174.98 1hdl n ASN 17 N 3.57 -1.50 0.00 1.43 3.02 -1.26 -0.97 115.26 119.56 1hdl n ASN 17 Ca 0.07 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1hdl n ASN 17 Cb 0.35 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 1hdl n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hdl n GLY 18 N -1.42 0.51 3.01 7.41 0.00 -1.26 -5.00 105.19 108.44 1hdl n GLY 18 Ca -0.29 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.12 1.82 -0.31 1.61 2.36 -0.14 -5.09 119.74 119.88 1hdl s LYS 19 Ca 0.00 -1.40 -0.23 0.00 -2.55 0.00 0.00 55.97 51.79 1hdl s LYS 19 Cb 0.00 -2.86 0.00 0.00 -1.05 0.00 0.00 37.83 33.92 1hdl s LYS 19 CO 0.00 -0.70 0.79 -1.17 1.55 0.00 0.00 175.35 175.82 1hdl s LEU 20 N 1.14 4.09 -1.01 5.43 2.96 -1.26 0.26 118.68 130.28 1hdl s LEU 20 Ca -0.02 0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 54.40 1hdl s LEU 20 Cb -0.19 -3.08 0.21 0.00 0.50 0.00 0.00 46.19 43.63 1hdl s LEU 20 CO -0.07 -0.62 1.08 0.72 -1.32 0.00 0.00 176.35 176.14 1hdl s PHE 21 N 2.97 3.71 0.21 5.38 -0.12 -1.01 -4.88 117.98 124.24 1hdl s PHE 21 Ca 0.32 -2.09 -0.09 0.00 -0.05 0.00 0.00 56.93 55.02 1hdl s PHE 21 Cb -0.14 -4.03 0.31 0.00 -0.63 0.00 0.00 43.02 38.53 1hdl s PHE 21 CO 0.13 -1.17 1.71 0.00 -0.05 0.00 0.00 175.22 175.84 1hdl s PRO 23 N -6.10 1.49 0.00 0.00 0.02 -1.26 -4.58 135.00 124.57 1hdl s PRO 23 Ca -0.13 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 60.59 1hdl s PRO 23 Cb 0.18 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.73 1hdl s PRO 23 CO 0.74 -4.99 0.00 0.94 -0.33 0.00 0.00 177.00 173.36 1hdl n GLN 24 N 8.37 0.00 -3.09 5.54 7.27 -1.25 -5.00 117.38 129.22 1hdl n GLN 24 Ca 0.43 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.31 1hdl n GLN 24 Cb 0.46 -0.01 -0.03 0.00 2.41 0.00 0.00 30.24 33.07 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 -1.24 -0.30 0.14 1.69 2.03 -1.26 -4.94 116.55 112.66 1hdl n ASP 25 Ca 0.00 -2.96 0.08 0.00 0.52 0.00 0.00 54.79 52.43 1hdl n ASP 25 Cb 0.00 -0.05 0.42 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.02 0.10 -0.29 -0.67 5.02 -1.26 -2.65 118.16 119.44 1hdl n LYS 26 Ca 0.19 0.58 0.33 0.00 -2.02 0.00 0.00 58.31 57.39 1hdl n LYS 26 Cb 0.60 -1.96 0.56 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.00 1.97 1.57 -1.98 0.81 116.57 118.94 1hdl h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hdl h LYS 27 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1hdl h LYS 27 CO 0.00 0.00 0.19 0.74 -0.57 0.00 0.00 179.45 179.81 1hdl h PHE 28 N 0.00 0.00 -1.18 -1.35 0.04 -1.85 -2.63 116.94 109.97 1hdl h PHE 28 Ca 0.56 0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.67 1hdl h PHE 28 Cb 2.89 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.99 1hdl h PHE 28 CO 0.00 0.00 1.16 0.35 -0.60 0.00 0.00 178.31 179.22 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 0.45 1.42 116.94 121.30 1hdl h PHE 29 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1hdl h PHE 29 Cb 0.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1hdl h PHE 29 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.29 1hdl n GLN 30 N -3.49 0.15 -4.17 1.11 10.64 -0.99 -4.16 117.38 116.47 1hdl n GLN 30 Ca 0.26 0.18 -0.15 0.00 -1.83 0.00 0.00 57.00 55.46 1hdl n GLN 30 Cb 1.53 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 29.29 1hdl n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1hdl s SER 31 N -2.54 1.51 0.16 2.61 1.04 0.49 -5.02 113.70 111.95 1hdl s SER 31 Ca 0.10 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.59 1hdl s SER 31 Cb 0.07 -0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.26 1hdl s SER 31 CO 0.15 -0.21 1.66 0.25 0.98 0.00 0.00 173.24 176.07 1hdl h LEU 32 N 3.75 -0.42 -1.28 2.42 6.46 -1.83 0.46 115.31 124.87 1hdl h LEU 32 Ca -0.38 0.12 0.15 0.00 -0.12 0.00 0.00 57.88 57.65 1hdl h LEU 32 Cb 1.19 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 41.31 1hdl h LEU 32 CO 0.50 -0.15 0.58 0.44 -0.62 0.00 0.00 178.44 179.18 1hdl h ASP 33 N -0.04 0.66 -0.00 1.25 3.32 -1.95 0.38 116.42 120.04 1hdl h ASP 33 Ca 0.18 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1hdl h ASP 33 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1hdl h ASP 33 CO -0.40 0.33 -0.00 1.23 -1.72 0.00 0.00 179.24 178.68 1hdl h GLY 34 N 0.69 0.00 0.89 2.75 0.00 -0.74 0.10 103.07 106.77 1hdl h GLY 34 Ca 0.46 -0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.91 1hdl h GLY 34 CO -0.21 0.00 0.43 -2.22 0.00 0.00 0.00 176.54 174.54 1hdl h ILE 35 N -0.54 0.82 0.05 2.60 1.08 0.12 0.11 117.51 121.76 1hdl h ILE 35 Ca 0.00 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1hdl h ILE 35 Cb 0.54 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1hdl h ILE 35 CO 0.00 0.06 -0.03 0.24 -0.69 0.00 0.00 178.15 177.73 1hdl h MET 36 N 0.31 -0.07 -0.71 2.37 2.86 -0.10 -2.99 114.93 116.60 1hdl h MET 36 Ca 0.30 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.09 1hdl h MET 36 Cb 0.76 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.30 1hdl h MET 36 CO -0.07 -0.05 -0.14 0.35 1.06 0.00 0.00 176.91 178.06 1hdl h PHE 37 N -0.60 -0.31 -0.99 -0.22 3.04 -0.65 0.97 116.94 118.17 1hdl h PHE 37 Ca -0.01 0.06 0.20 0.00 3.98 0.00 0.00 57.97 62.20 1hdl h PHE 37 Cb 0.05 0.25 -0.10 0.00 2.56 0.00 0.00 35.95 38.72 1hdl h PHE 37 CO 0.01 -0.29 0.62 0.82 -2.02 0.00 0.00 178.31 177.44 1hdl h ILE 38 N 0.02 0.69 -0.16 1.41 2.04 -0.91 0.86 117.51 121.46 1hdl h ILE 38 Ca 0.35 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.85 1hdl h ILE 38 Cb 0.56 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1hdl h ILE 38 CO -0.72 0.12 -0.48 0.78 0.00 0.00 0.00 178.15 177.86 1hdl h ASN 39 N 0.67 0.45 1.79 1.72 2.35 0.10 -2.89 115.58 119.78 1hdl h ASN 39 Ca 0.56 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1hdl h ASN 39 Cb 1.00 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 1hdl h ASN 39 CO -0.33 0.86 -0.21 0.11 -1.65 0.00 0.00 177.43 176.22 1hdl h LYS 40 N 0.34 0.00 -0.07 0.81 1.57 0.13 -3.27 116.57 116.07 1hdl h LYS 40 Ca 0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1hdl h LYS 40 Cb 0.97 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1hdl h LYS 40 CO 0.08 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 178.68 1hdl h ALA 42 N -0.83 1.31 0.60 0.00 0.00 -1.72 -2.30 119.26 116.32 1hdl h ALA 42 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1hdl h ALA 42 Cb 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hdl h ALA 42 CO -0.23 0.47 -0.29 1.15 0.00 0.00 0.00 179.25 180.35 1hdl h THR 43 N 0.23 0.20 -0.70 0.00 2.02 -1.33 -2.74 112.91 110.58 1hdl h THR 43 Ca 0.04 -0.36 0.11 0.00 0.77 0.00 0.00 66.41 66.97 1hdl h THR 43 Cb 0.58 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1hdl h THR 43 CO 0.04 0.03 0.47 0.00 0.37 0.00 0.00 175.52 176.43 1hdl h LYS 45 N 0.50 -0.15 -0.03 0.00 3.64 -1.29 -1.45 116.57 117.80 1hdl h LYS 45 Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1hdl h LYS 45 Cb 0.62 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1hdl h LYS 45 CO -0.11 -0.10 0.05 0.00 -2.27 0.00 0.00 179.45 177.02 1hdl h MET 46 N -0.15 0.00 -0.62 1.90 -0.00 -1.08 -1.29 114.93 113.69 1hdl h MET 46 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.72 1hdl h MET 46 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.74 1hdl h MET 46 CO -0.05 0.00 0.41 0.82 -0.00 0.00 0.00 176.91 178.09 1hdl h ILE 47 N 0.00 1.16 0.09 -0.10 1.08 -1.10 -2.31 117.51 116.33 1hdl h ILE 47 Ca 0.01 -0.29 -0.29 0.00 -0.39 0.00 0.00 64.86 63.90 1hdl h ILE 47 Cb 0.11 0.24 0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1hdl h ILE 47 CO -0.00 0.16 -1.19 -0.07 -0.69 0.00 0.00 178.15 176.35 1hdl h LEU 48 N 0.85 0.87 -2.35 1.44 -0.00 -1.27 -3.17 115.31 111.68 1hdl h LEU 48 Ca 0.23 -0.78 0.03 0.00 -0.00 0.00 0.00 57.88 57.36 1hdl h LEU 48 Cb -0.10 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.29 1hdl h LEU 48 CO -0.05 1.58 0.10 -0.33 -0.00 0.00 0.00 178.44 179.74 1hdl h GLU 49 N 0.30 0.00 -0.14 1.13 5.08 -1.35 -1.13 114.58 118.47 1hdl h GLU 49 Ca -0.17 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 1hdl h GLU 49 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1hdl h GLU 49 CO 0.23 0.00 -0.70 0.87 -1.00 0.00 0.00 179.01 178.41 1hdl h LYS 50 N 0.00 0.61 0.00 2.33 1.79 -1.40 -2.77 116.57 117.13 1hdl h LYS 50 Ca 0.04 -0.47 -0.06 0.00 -2.18 0.00 0.00 60.65 57.99 1hdl h LYS 50 Cb 0.25 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1hdl h LYS 50 CO -0.00 1.09 -0.26 1.49 -1.08 0.00 0.00 179.45 180.69 1hdl h GLU 51 N 0.43 0.00 0.00 3.15 4.81 -1.27 -2.14 114.58 119.56 1hdl h GLU 51 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1hdl h GLU 51 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1hdl h GLU 51 CO 0.13 0.26 -0.25 0.00 -0.73 0.00 0.00 179.01 178.42 1hdl h ALA 52 N 1.74 0.84 -6.95 2.92 0.00 -1.42 -3.47 119.26 112.92 1hdl h ALA 52 Ca -0.00 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.09 1hdl h ALA 52 Cb 0.47 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.01 1hdl h ALA 52 CO 0.03 0.32 -0.93 1.63 0.00 0.00 0.00 179.25 180.30 1hdl n LYS 53 N -3.16 -1.64 0.24 0.00 5.02 -0.81 -4.78 118.16 113.04 1hdl n LYS 53 Ca 0.03 0.20 0.16 0.00 -2.02 0.00 0.00 58.31 56.67 1hdl n LYS 53 Cb 0.63 -4.14 0.55 0.00 -0.02 0.00 0.00 35.03 32.06 1hdl n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1hdl h SER 54 N -1.61 0.00 0.00 4.39 4.64 -1.88 -3.52 113.55 115.56 1hdl h SER 54 Ca -0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1hdl h SER 54 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1hdl h SER 54 CO 0.73 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.69