#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 6.74 0.00 4.39 -0.87 -1.26 -4.92 114.94 119.02 1hdl s ASN 2 Ca 0.00 1.75 0.18 0.00 -1.57 0.00 0.00 52.86 53.23 1hdl s ASN 2 Cb 0.00 -2.54 0.94 0.00 -0.02 0.00 0.00 41.25 39.62 1hdl s ASN 2 CO 0.00 -0.50 1.54 -0.62 -2.57 0.00 0.00 177.10 174.95 1hdl n GLU 3 N -0.79 0.29 0.00 -0.60 1.02 -1.26 -2.59 120.64 116.71 1hdl n GLU 3 Ca 0.08 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1hdl n GLU 3 Cb 0.54 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 31.16 1hdl n GLU 3 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1hdl n ASP 4 N -1.25 0.00 0.00 1.62 8.00 -1.26 -2.03 116.55 121.62 1hdl n ASP 4 Ca 0.09 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1hdl n ASP 4 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.91 3.39 -2.83 -1.24 1.13 -1.07 -4.84 117.38 111.01 1hdl n GLN 5 Ca 0.18 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 1hdl n GLN 5 Cb 0.08 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1hdl n GLN 5 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1hdl n GLU 6 N -1.84 1.47 -0.33 -1.09 1.02 -1.23 -4.93 120.64 113.72 1hdl n GLU 6 Ca 0.00 -3.54 0.30 0.00 -0.02 0.00 0.00 57.16 53.90 1hdl n GLU 6 Cb 0.44 -1.57 0.56 0.00 -0.02 0.00 0.00 31.44 30.85 1hdl n GLU 6 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1hdl h MET 7 N 2.95 0.10 -5.18 3.49 2.86 -1.71 -3.26 114.93 114.18 1hdl h MET 7 Ca 0.02 -0.01 -0.66 0.00 -2.06 0.00 0.00 59.70 56.99 1hdl h MET 7 Cb 1.04 -0.02 -0.17 0.00 0.06 0.00 0.00 31.60 32.51 1hdl h MET 7 CO 0.56 0.07 0.25 0.00 1.06 0.00 0.00 176.91 178.85 1hdl n HIS 9 N 6.74 0.00 0.03 0.00 -0.00 -1.23 -4.07 115.22 116.68 1hdl n HIS 9 Ca -0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.49 1hdl n HIS 9 Cb 0.45 -0.92 -0.14 0.00 -0.00 0.00 0.00 29.99 29.38 1hdl n HIS 9 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1hdl h GLU 10 N -0.80 0.24 0.00 -0.41 5.08 -1.93 -3.34 114.58 113.42 1hdl h GLU 10 Ca -0.64 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.25 1hdl h GLU 10 Cb 1.60 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1hdl h GLU 10 CO -0.36 1.09 -0.27 0.74 -1.00 0.00 0.00 179.01 179.22 1hdl h PHE 11 N 0.07 0.00 -0.82 4.33 0.04 -1.95 -3.06 116.94 115.55 1hdl h PHE 11 Ca -0.34 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.63 1hdl h PHE 11 Cb 2.04 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 40.06 1hdl h PHE 11 CO 0.07 0.27 0.17 0.37 -0.60 0.00 0.00 178.31 178.58 1hdl h GLN 12 N 0.00 0.19 0.00 1.51 4.15 -1.71 2.24 115.11 121.49 1hdl h GLN 12 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1hdl h GLN 12 Cb 0.68 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1hdl h GLN 12 CO 0.04 0.13 0.05 0.00 -1.93 0.00 0.00 178.83 177.11 1hdl h ALA 13 N 1.73 1.05 -0.26 3.38 0.00 -1.76 0.14 119.26 123.54 1hdl h ALA 13 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1hdl h ALA 13 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1hdl h ALA 13 CO -0.63 -0.05 0.00 1.19 0.00 0.00 0.00 179.25 179.76 1hdl n PHE 14 N -2.86 0.45 -3.51 0.00 3.72 0.75 -4.80 117.46 111.21 1hdl n PHE 14 Ca -0.03 -0.20 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 1hdl n PHE 14 Cb 0.11 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.64 3.77 -0.96 -1.08 0.23 0.47 -1.82 119.30 118.27 1hdl s MET 15 Ca 0.19 -0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 54.36 1hdl s MET 15 Cb 0.11 -3.72 0.23 0.00 -1.53 0.00 0.00 34.83 29.92 1hdl s MET 15 CO 0.11 -0.33 0.95 0.21 -2.03 0.00 0.00 175.02 173.93 1hdl s LYS 16 N 1.84 3.85 -1.18 3.16 2.47 0.52 -4.60 119.74 125.81 1hdl s LYS 16 Ca 0.09 -2.71 -0.01 0.00 -1.56 0.00 0.00 55.97 51.77 1hdl s LYS 16 Cb -0.16 -4.54 -0.01 0.00 -1.46 0.00 0.00 37.83 31.66 1hdl s LYS 16 CO 0.11 -1.32 0.96 0.09 0.16 0.00 0.00 175.35 175.34 1hdl n ASN 17 N 3.73 -2.94 0.00 1.43 3.02 -1.26 -2.19 115.26 117.05 1hdl n ASN 17 Ca 0.19 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1hdl n ASN 17 Cb 0.44 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 -1.19 1.19 3.48 7.41 0.00 -1.26 -5.02 105.19 109.80 1hdl n GLY 18 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.58 3.14 -0.53 1.61 2.36 -0.93 -5.03 119.74 119.78 1hdl s LYS 19 Ca 0.00 -0.87 -0.18 0.00 -2.55 0.00 0.00 55.97 52.37 1hdl s LYS 19 Cb 0.00 -3.93 0.08 0.00 -1.05 0.00 0.00 37.83 32.93 1hdl s LYS 19 CO 0.00 -0.67 0.60 -1.17 1.55 0.00 0.00 175.35 175.66 1hdl s LEU 20 N 1.75 5.26 -1.28 5.43 0.20 -1.26 0.19 118.68 128.98 1hdl s LEU 20 Ca 0.06 -1.18 -0.07 0.00 0.69 0.00 0.00 54.13 53.63 1hdl s LEU 20 Cb -0.18 -2.35 0.16 0.00 -0.43 0.00 0.00 46.19 43.39 1hdl s LEU 20 CO 0.11 -0.92 2.08 2.22 -0.29 0.00 0.00 176.35 179.55 1hdl n PHE 21 N 6.01 2.72 -0.21 5.38 1.16 -0.76 -4.78 117.46 127.00 1hdl n PHE 21 Ca -0.09 -2.78 0.01 0.00 -1.87 0.00 0.00 57.45 52.73 1hdl n PHE 21 Cb 0.44 -1.83 0.12 0.00 -1.61 0.00 0.00 39.48 36.60 1hdl n PHE 21 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hdl s PRO 23 N -6.11 1.77 0.00 0.00 0.02 -1.26 -4.56 135.00 124.86 1hdl s PRO 23 Ca -0.13 -0.32 0.00 0.00 0.02 0.00 0.00 61.00 60.57 1hdl s PRO 23 Cb 0.18 -5.00 0.00 0.00 0.02 0.00 0.00 34.50 29.71 1hdl s PRO 23 CO 0.74 -4.59 0.00 0.94 -0.33 0.00 0.00 177.00 173.76 1hdl n GLN 24 N 8.48 0.00 -3.38 5.54 7.27 -1.25 -4.99 117.38 129.04 1hdl n GLN 24 Ca 0.43 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.24 1hdl n GLN 24 Cb 0.46 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.03 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 -0.61 2.52 0.00 1.69 -0.08 -1.26 -4.90 116.55 113.91 1hdl n ASP 25 Ca 0.00 -3.17 0.04 0.00 -1.51 0.00 0.00 54.79 50.14 1hdl n ASP 25 Cb 0.00 -0.66 0.18 0.00 2.34 0.00 0.00 41.12 42.98 1hdl n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1hdl n LYS 26 N 1.14 0.07 -0.37 -0.67 5.02 -1.26 -3.29 118.16 118.81 1hdl n LYS 26 Ca 0.27 0.26 0.37 0.00 -2.02 0.00 0.00 58.31 57.19 1hdl n LYS 26 Cb 0.44 -1.50 0.62 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.99 0.99 116.57 119.11 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1hdl h LYS 27 CO 0.00 0.00 0.31 0.74 -0.57 0.00 0.00 179.45 179.93 1hdl h PHE 28 N 0.00 0.00 -0.55 -1.35 0.04 -1.90 -1.46 116.94 111.73 1hdl h PHE 28 Ca 0.63 0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.55 1hdl h PHE 28 Cb 3.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 41.14 1hdl h PHE 28 CO 0.00 0.00 0.77 0.35 -0.60 0.00 0.00 178.31 178.83 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 0.82 1.00 116.94 121.25 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 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 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 -3.30 0.22 -4.35 1.11 6.02 -0.55 -4.28 117.38 112.25 1hdl n GLN 30 Ca 0.11 0.14 -0.18 0.00 -0.01 0.00 0.00 57.00 57.07 1hdl n GLN 30 Cb 0.96 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.62 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 -2.50 2.01 0.04 1.08 0.01 0.35 -5.02 113.70 109.67 1hdl s SER 31 Ca 0.14 -1.20 -0.25 0.00 1.31 0.00 0.00 55.95 55.95 1hdl s SER 31 Cb 0.09 -0.03 -0.17 0.00 0.21 0.00 0.00 66.02 66.12 1hdl s SER 31 CO 0.20 -0.47 1.49 0.25 0.41 0.00 0.00 173.24 175.12 1hdl h LEU 32 N 2.45 -0.07 -1.05 2.44 6.46 -1.84 0.33 115.31 124.03 1hdl h LEU 32 Ca -0.39 -0.21 0.11 0.00 -0.12 0.00 0.00 57.88 57.28 1hdl h LEU 32 Cb 1.22 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 1hdl h LEU 32 CO 0.65 0.17 0.63 0.44 -0.62 0.00 0.00 178.44 179.71 1hdl h ASP 33 N -0.31 0.92 -0.05 1.25 3.32 -1.96 0.35 116.42 119.93 1hdl h ASP 33 Ca -0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1hdl h ASP 33 Cb 0.27 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1hdl h ASP 33 CO 0.01 0.51 -0.04 1.23 -1.72 0.00 0.00 179.24 179.24 1hdl h GLY 34 N 1.00 0.13 0.74 2.75 0.00 -1.56 0.49 103.07 106.62 1hdl h GLY 34 Ca 0.47 -0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.80 1hdl h GLY 34 CO -0.24 0.12 0.51 -2.22 0.00 0.00 0.00 176.54 174.71 1hdl h ILE 35 N -0.29 0.86 0.15 2.60 1.08 0.85 0.20 117.51 122.94 1hdl h ILE 35 Ca 0.01 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1hdl h ILE 35 Cb 0.51 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1hdl h ILE 35 CO 0.01 0.10 -0.07 0.24 -0.69 0.00 0.00 178.15 177.74 1hdl h MET 36 N 0.56 -0.19 -0.68 2.37 2.86 -0.06 -2.45 114.93 117.34 1hdl h MET 36 Ca 0.37 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.16 1hdl h MET 36 Cb 0.67 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.24 1hdl h MET 36 CO -0.14 -0.13 -0.19 0.35 1.06 0.00 0.00 176.91 177.86 1hdl h PHE 37 N -0.54 -0.44 -1.00 -0.22 3.04 -0.74 0.98 116.94 118.02 1hdl h PHE 37 Ca -0.02 0.06 0.19 0.00 3.98 0.00 0.00 57.97 62.18 1hdl h PHE 37 Cb 0.15 0.30 -0.10 0.00 2.56 0.00 0.00 35.95 38.86 1hdl h PHE 37 CO 0.04 -0.31 0.61 0.82 -2.02 0.00 0.00 178.31 177.45 1hdl h ILE 38 N -0.02 0.71 -0.33 1.41 2.04 -0.71 1.39 117.51 122.01 1hdl h ILE 38 Ca 0.32 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 1hdl h ILE 38 Cb 0.51 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1hdl h ILE 38 CO -0.71 0.13 -0.21 0.78 0.00 0.00 0.00 178.15 178.14 1hdl h ASN 39 N 0.74 0.62 1.19 1.72 2.35 0.14 -2.22 115.58 120.12 1hdl h ASN 39 Ca 0.57 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1hdl h ASN 39 Cb 0.92 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1hdl h ASN 39 CO -0.35 0.83 -0.26 1.17 -1.65 0.00 0.00 177.43 177.16 1hdl n LYS 40 N -4.13 0.26 0.00 0.81 4.81 0.14 -3.72 118.16 116.33 1hdl n LYS 40 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1hdl n LYS 40 Cb 0.40 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1hdl n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hdl h ALA 42 N -2.00 3.07 0.00 0.00 0.00 -1.72 -0.09 119.26 118.51 1hdl h ALA 42 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hdl h ALA 42 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hdl h ALA 42 CO 0.00 -1.40 -0.00 1.15 0.00 0.00 0.00 179.25 178.99 1hdl h THR 43 N 0.02 1.15 -0.48 0.00 2.02 -1.61 -3.25 112.91 110.76 1hdl h THR 43 Ca 0.56 -1.87 0.14 0.00 0.77 0.00 0.00 66.41 66.01 1hdl h THR 43 Cb 2.20 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 70.77 1hdl h THR 43 CO -0.02 0.39 0.50 0.00 0.37 0.00 0.00 175.52 176.76 1hdl h LYS 45 N 0.00 0.17 0.00 0.00 3.64 -1.12 -2.74 116.57 116.52 1hdl h LYS 45 Ca 0.23 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1hdl h LYS 45 Cb 1.22 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1hdl h LYS 45 CO -0.00 0.51 -0.05 0.00 -2.27 0.00 0.00 179.45 177.64 1hdl h MET 46 N -0.17 0.00 -0.81 1.90 -0.00 -1.08 -2.12 114.93 112.65 1hdl h MET 46 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1hdl h MET 46 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.01 1hdl h MET 46 CO 0.01 0.05 0.53 0.82 -0.00 0.00 0.00 176.91 178.32 1hdl h ILE 47 N 0.00 1.21 -0.09 -0.10 1.08 -1.15 -2.34 117.51 116.12 1hdl h ILE 47 Ca -0.00 -0.41 -0.24 0.00 -0.39 0.00 0.00 64.86 63.82 1hdl h ILE 47 Cb 0.22 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1hdl h ILE 47 CO 0.01 0.21 -0.89 -0.07 -0.69 0.00 0.00 178.15 176.72 1hdl h LEU 48 N 1.10 0.94 -2.20 1.44 -0.00 -1.42 -3.07 115.31 112.09 1hdl h LEU 48 Ca 0.30 -0.67 0.06 0.00 -0.00 0.00 0.00 57.88 57.56 1hdl h LEU 48 Cb -0.11 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.26 1hdl h LEU 48 CO -0.06 1.47 0.22 -0.33 -0.00 0.00 0.00 178.44 179.74 1hdl h GLU 49 N 0.48 0.00 -0.26 1.13 5.08 -1.36 -0.09 114.58 119.57 1hdl h GLU 49 Ca -0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1hdl h GLU 49 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1hdl h GLU 49 CO 0.18 0.00 -0.23 0.87 -1.00 0.00 0.00 179.01 178.83 1hdl h LYS 50 N 0.00 0.48 0.00 2.33 1.79 -1.36 -2.41 116.57 117.40 1hdl h LYS 50 Ca 0.09 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1hdl h LYS 50 Cb 0.53 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1hdl h LYS 50 CO -0.00 0.68 -0.11 0.93 -1.08 0.00 0.00 179.45 179.87 1hdl h GLU 51 N 0.43 0.00 0.00 3.15 5.08 -1.12 -1.91 114.58 120.20 1hdl h GLU 51 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1hdl h GLU 51 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1hdl h GLU 51 CO 0.05 0.11 -0.16 0.00 -1.00 0.00 0.00 179.01 178.01 1hdl h ALA 52 N 1.89 1.01 0.00 3.43 0.00 -1.47 -2.82 119.26 121.30 1hdl h ALA 52 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1hdl h ALA 52 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1hdl h ALA 52 CO 0.01 0.19 -0.47 0.87 0.00 0.00 0.00 179.25 179.86 1hdl h LYS 53 N 0.00 0.00 0.00 0.00 1.57 -1.41 -3.19 116.57 113.54 1hdl h LYS 53 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1hdl h LYS 53 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1hdl h LYS 53 CO 0.02 0.39 -0.05 0.77 -0.57 0.00 0.00 179.45 180.01 1hdl h SER 54 N 0.00 0.00 0.00 0.86 0.02 -1.51 -3.53 113.55 109.39 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 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1hdl h SER 54 CO 0.05 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.80