#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 3.34 0.56 4.39 0.01 -1.26 -5.00 114.94 116.98 1hdl s ASN 2 Ca 0.00 -0.50 0.26 0.00 -0.71 0.00 0.00 52.86 51.91 1hdl s ASN 2 Cb 0.00 -0.41 1.61 0.00 0.41 0.00 0.00 41.25 42.86 1hdl s ASN 2 CO 0.00 0.28 2.19 -0.33 -1.51 0.00 0.00 177.10 177.73 1hdl h GLU 3 N 4.92 0.00 0.00 -0.60 5.08 -2.00 0.50 114.58 122.48 1hdl h GLU 3 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1hdl h GLU 3 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1hdl h GLU 3 CO 0.46 0.03 0.00 -0.25 -1.00 0.00 0.00 179.01 178.25 1hdl n ASP 4 N -3.97 0.00 0.04 1.42 8.00 -1.26 -0.93 116.55 119.86 1hdl n ASP 4 Ca -0.03 -0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1hdl n ASP 4 Cb 0.12 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1hdl n ASP 4 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1hdl h GLN 5 N 0.00 0.34 -0.01 -1.24 4.15 -1.30 -3.33 115.11 113.72 1hdl h GLN 5 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.84 1hdl h GLN 5 Cb 0.16 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1hdl h GLN 5 CO 0.00 1.28 -0.49 0.39 -1.93 0.00 0.00 178.83 178.08 1hdl n GLU 6 N -3.54 0.51 -3.53 1.69 -0.58 -1.11 -4.99 120.64 109.09 1hdl n GLU 6 Ca -0.28 -0.35 -0.21 0.00 -0.42 0.00 0.00 57.16 55.90 1hdl n GLU 6 Cb 1.06 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 30.46 1hdl n GLU 6 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1hdl n MET 7 N -0.94 -1.35 -3.31 3.49 2.81 -0.10 -4.81 117.12 112.89 1hdl n MET 7 Ca 0.08 0.82 -0.07 0.00 -1.81 0.00 0.00 57.70 56.73 1hdl n MET 7 Cb 0.36 -4.16 -0.07 0.00 -0.71 0.00 0.00 33.22 28.64 1hdl n MET 7 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hdl n HIS 9 N 5.37 -0.07 -0.09 0.00 8.25 -1.26 -4.62 115.22 122.81 1hdl n HIS 9 Ca -0.03 0.01 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1hdl n HIS 9 Cb 0.50 0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.76 1hdl n HIS 9 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1hdl h GLU 10 N 0.00 0.47 -0.30 -0.41 4.39 -2.00 -3.12 114.58 113.60 1hdl h GLU 10 Ca 0.00 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1hdl h GLU 10 Cb 0.59 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1hdl h GLU 10 CO 0.00 0.66 0.19 0.74 -1.16 0.00 0.00 179.01 179.44 1hdl h PHE 11 N 0.23 0.36 -1.04 4.33 0.04 -1.97 -1.87 116.94 117.02 1hdl h PHE 11 Ca 0.07 0.01 0.27 0.00 2.80 0.00 0.00 57.97 61.12 1hdl h PHE 11 Cb 0.47 -0.12 -0.11 0.00 2.20 0.00 0.00 35.95 38.39 1hdl h PHE 11 CO 0.04 0.22 0.64 0.37 -0.60 0.00 0.00 178.31 178.98 1hdl h GLN 12 N 0.39 0.44 0.00 1.51 4.15 -1.80 2.16 115.11 121.96 1hdl h GLN 12 Ca 0.11 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1hdl h GLN 12 Cb -0.02 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1hdl h GLN 12 CO -0.04 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1hdl h ALA 13 N 1.67 1.00 -0.17 3.38 0.00 -1.29 -2.32 119.26 121.54 1hdl h ALA 13 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1hdl h ALA 13 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1hdl h ALA 13 CO -0.39 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.05 1hdl n PHE 14 N -2.37 0.40 -2.79 0.00 3.72 0.73 -4.70 117.46 112.45 1hdl n PHE 14 Ca 0.02 -0.16 -0.43 0.00 -0.05 0.00 0.00 57.45 56.83 1hdl n PHE 14 Cb 0.23 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.60 3.64 -0.65 -1.08 -1.94 -0.87 -1.05 119.30 115.74 1hdl s MET 15 Ca 0.13 -1.59 -0.28 0.00 -1.71 0.00 0.00 55.69 52.24 1hdl s MET 15 Cb 0.09 -5.10 0.03 0.00 2.01 0.00 0.00 34.83 31.86 1hdl s MET 15 CO 0.06 -1.94 1.24 0.21 -0.01 0.00 0.00 175.02 174.58 1hdl s LYS 16 N 3.46 3.36 -1.11 2.03 2.20 0.22 -4.04 119.74 125.87 1hdl s LYS 16 Ca 0.39 0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.90 1hdl s LYS 16 Cb -0.03 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 1hdl s LYS 16 CO -0.09 -1.90 0.85 -1.71 -0.36 0.00 0.00 175.35 172.15 1hdl n ASN 17 N 8.88 -5.61 -1.48 1.43 2.85 -1.26 -0.98 115.26 119.08 1hdl n ASN 17 Ca 0.06 -0.85 -0.18 0.00 -0.11 0.00 0.00 54.58 53.50 1hdl n ASN 17 Cb 0.49 -4.33 -0.07 0.00 1.24 0.00 0.00 39.78 37.11 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 -1.45 1.41 2.84 8.20 0.00 -1.26 -4.94 105.19 110.00 1hdl n GLY 18 Ca -0.10 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.75 1.27 -0.43 1.61 2.36 -0.16 -5.08 119.74 115.57 1hdl s LYS 19 Ca 0.00 -1.77 -0.28 0.00 -2.55 0.00 0.00 55.97 51.36 1hdl s LYS 19 Cb 0.00 -2.63 0.00 0.00 -1.05 0.00 0.00 37.83 34.15 1hdl s LYS 19 CO 0.00 -1.03 1.51 -1.17 1.55 0.00 0.00 175.35 176.20 1hdl s LEU 20 N 0.81 3.53 -1.16 5.43 2.96 -1.25 0.69 118.68 129.69 1hdl s LEU 20 Ca 0.13 0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 54.77 1hdl s LEU 20 Cb -0.21 -3.42 0.25 0.00 0.50 0.00 0.00 46.19 43.31 1hdl s LEU 20 CO -0.10 -1.57 1.39 2.22 -1.32 0.00 0.00 176.35 176.97 1hdl n PHE 21 N 9.39 4.18 -0.09 5.38 1.16 -0.21 -4.84 117.46 132.43 1hdl n PHE 21 Ca 0.17 -3.31 -0.07 0.00 -1.87 0.00 0.00 57.45 52.36 1hdl n PHE 21 Cb 0.48 -1.75 0.00 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 -6.16 1.59 0.00 0.00 0.02 -1.26 -4.49 135.00 124.70 1hdl s PRO 23 Ca -0.13 -0.27 0.00 0.00 0.02 0.00 0.00 61.00 60.62 1hdl s PRO 23 Cb 0.11 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.66 1hdl s PRO 23 CO 0.71 -4.83 0.00 0.94 -0.33 0.00 0.00 177.00 173.49 1hdl n GLN 24 N 8.43 0.00 -3.45 5.54 7.27 -1.26 -5.00 117.38 128.91 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 -0.09 0.00 2.41 0.00 0.00 30.24 33.02 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 -1.19 1.73 0.00 1.69 -0.08 -1.26 -4.91 116.55 112.53 1hdl n ASP 25 Ca 0.00 -2.97 0.05 0.00 -1.51 0.00 0.00 54.79 50.36 1hdl n ASP 25 Cb 0.00 -0.66 0.25 0.00 2.34 0.00 0.00 41.12 43.05 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 1.64 0.15 -0.28 -0.67 5.02 -1.26 -3.41 118.16 119.36 1hdl n LYS 26 Ca 0.25 0.18 0.33 0.00 -2.02 0.00 0.00 58.31 57.05 1hdl n LYS 26 Cb 0.45 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.94 0.74 116.57 118.91 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1hdl h LYS 27 CO 0.00 0.00 0.32 0.74 -0.57 0.00 0.00 179.45 179.94 1hdl h PHE 28 N 0.00 0.00 0.00 -1.35 0.04 -1.78 -0.50 116.94 113.35 1hdl h PHE 28 Ca 0.54 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.31 1hdl h PHE 28 Cb 2.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.94 1hdl h PHE 28 CO 0.00 0.00 0.19 0.35 -0.60 0.00 0.00 178.31 178.25 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 0.42 0.40 116.94 120.26 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 0.65 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.16 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 -2.66 0.09 -4.15 1.11 6.02 -0.20 -4.44 117.38 113.15 1hdl n GLN 30 Ca -0.02 0.49 -0.14 0.00 -0.01 0.00 0.00 57.00 57.32 1hdl n GLN 30 Cb 0.23 -1.73 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 1hdl n GLN 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1hdl s SER 31 N -3.61 1.34 0.43 1.08 0.15 -0.30 -4.98 113.70 107.82 1hdl s SER 31 Ca 0.01 -0.76 0.10 0.00 0.70 0.00 0.00 55.95 56.00 1hdl s SER 31 Cb 0.06 0.01 0.93 0.00 -1.71 0.00 0.00 66.02 65.31 1hdl s SER 31 CO 0.19 -0.25 2.03 0.25 1.20 0.00 0.00 173.24 176.67 1hdl h LEU 32 N 3.77 0.29 0.22 3.45 6.46 -1.84 1.17 115.31 128.83 1hdl h LEU 32 Ca -0.37 -0.02 -0.34 0.00 -0.12 0.00 0.00 57.88 57.02 1hdl h LEU 32 Cb 1.19 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1hdl h LEU 32 CO 0.50 0.28 -1.62 0.44 -0.62 0.00 0.00 178.44 177.42 1hdl h ASP 33 N 0.32 0.73 0.39 1.25 3.32 -1.96 -1.64 116.42 118.84 1hdl h ASP 33 Ca 0.08 -0.93 -0.16 0.00 0.02 0.00 0.00 57.03 56.04 1hdl h ASP 33 Cb 0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1hdl h ASP 33 CO -0.01 1.75 -0.69 1.23 -1.72 0.00 0.00 179.24 179.81 1hdl h GLY 34 N 0.40 0.29 1.03 2.75 0.00 -1.53 -3.16 103.07 102.85 1hdl h GLY 34 Ca -0.30 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.44 1hdl h GLY 34 CO 0.22 0.35 -0.71 1.19 0.00 0.00 0.00 176.54 177.60 1hdl h ILE 35 N 0.18 1.32 -1.00 2.60 2.10 0.57 -3.19 117.51 120.10 1hdl h ILE 35 Ca -0.02 -1.98 0.39 0.00 1.08 0.00 0.00 64.86 64.33 1hdl h ILE 35 Cb 1.23 2.19 -0.18 0.00 -1.09 0.00 0.00 36.82 38.98 1hdl h ILE 35 CO 0.11 0.61 0.48 0.24 -1.08 0.00 0.00 178.15 178.50 1hdl h MET 36 N 0.30 0.04 -0.92 2.19 2.86 -1.25 1.46 114.93 119.61 1hdl h MET 36 Ca -0.06 -0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.77 1hdl h MET 36 Cb 1.36 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.90 1hdl h MET 36 CO 0.14 0.03 0.49 0.27 1.06 0.00 0.00 176.91 178.90 1hdl h PHE 37 N 0.04 0.84 -0.58 -0.22 -0.00 -1.63 0.31 116.94 115.70 1hdl h PHE 37 Ca 0.80 0.04 0.09 0.00 -0.00 0.00 0.00 57.97 58.90 1hdl h PHE 37 Cb 2.04 -0.23 -0.07 0.00 -0.00 0.00 0.00 35.95 37.69 1hdl h PHE 37 CO -0.07 0.12 0.19 0.82 -0.00 0.00 0.00 178.31 179.36 1hdl h ILE 38 N 0.59 0.75 -0.42 0.88 2.04 0.19 2.20 117.51 123.75 1hdl h ILE 38 Ca 0.54 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 66.31 1hdl h ILE 38 Cb 0.91 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1hdl h ILE 38 CO -0.43 0.07 0.28 0.78 0.00 0.00 0.00 178.15 178.84 1hdl h ASN 39 N 0.36 0.40 0.71 1.72 2.35 -0.42 -1.90 115.58 118.79 1hdl h ASN 39 Ca 0.29 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.89 1hdl h ASN 39 Cb 0.37 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1hdl h ASN 39 CO -0.31 0.28 -1.40 0.29 -1.65 0.00 0.00 177.43 174.64 1hdl n LYS 40 N -4.48 0.62 0.00 0.81 5.02 0.43 -3.85 118.16 116.71 1hdl n LYS 40 Ca 0.04 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1hdl n LYS 40 Cb 0.13 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1hdl n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hdl h ALA 42 N -1.77 1.74 0.87 0.00 0.00 -1.78 -2.28 119.26 116.04 1hdl h ALA 42 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1hdl h ALA 42 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1hdl h ALA 42 CO 0.00 -0.05 -0.42 1.15 0.00 0.00 0.00 179.25 179.94 1hdl h THR 43 N 0.76 0.04 -0.94 0.00 2.02 -1.54 -2.78 112.91 110.47 1hdl h THR 43 Ca 0.52 -0.12 0.28 0.00 0.77 0.00 0.00 66.41 67.86 1hdl h THR 43 Cb 0.80 0.05 -0.15 0.00 -1.74 0.00 0.00 68.15 67.10 1hdl h THR 43 CO -0.29 0.00 0.35 0.00 0.37 0.00 0.00 175.52 175.95 1hdl h LYS 45 N 0.20 0.45 0.00 0.00 3.64 -1.15 0.19 116.57 119.90 1hdl h LYS 45 Ca 0.64 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.95 1hdl h LYS 45 Cb 1.42 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1hdl h LYS 45 CO -0.68 0.30 -0.21 0.00 -2.27 0.00 0.00 179.45 176.58 1hdl h MET 46 N 0.47 0.00 -0.92 1.90 -0.00 0.22 -3.02 114.93 113.57 1hdl h MET 46 Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.07 1hdl h MET 46 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.09 1hdl h MET 46 CO -0.36 0.21 0.53 0.82 -0.00 0.00 0.00 176.91 178.11 1hdl h ILE 47 N 0.00 1.26 -0.57 -0.10 1.08 0.31 -2.07 117.51 117.43 1hdl h ILE 47 Ca -0.00 -0.61 -0.11 0.00 -0.39 0.00 0.00 64.86 63.75 1hdl h ILE 47 Cb 0.81 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1hdl h ILE 47 CO 0.03 0.28 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.62 1hdl h LEU 48 N 1.28 1.05 -2.58 1.44 -0.00 -1.37 -2.25 115.31 112.89 1hdl h LEU 48 Ca 0.33 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1hdl h LEU 48 Cb -0.01 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 40.36 1hdl h LEU 48 CO -0.06 1.15 -0.01 -0.33 -0.00 0.00 0.00 178.44 179.19 1hdl h GLU 49 N 0.94 0.00 -0.62 1.13 5.08 -1.40 -1.75 114.58 117.97 1hdl h GLU 49 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1hdl h GLU 49 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1hdl h GLU 49 CO 0.05 0.01 0.01 0.87 -1.00 0.00 0.00 179.01 178.94 1hdl h LYS 50 N 0.00 1.08 -0.34 2.33 1.57 -0.90 -2.44 116.57 117.87 1hdl h LYS 50 Ca -0.00 -0.33 0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1hdl h LYS 50 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1hdl h LYS 50 CO 0.00 1.04 0.40 0.93 -0.57 0.00 0.00 179.45 181.25 1hdl h GLU 51 N 0.99 0.00 -6.81 3.15 4.39 -1.37 -3.41 114.58 111.51 1hdl h GLU 51 Ca 0.18 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.39 1hdl h GLU 51 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1hdl h GLU 51 CO 0.03 0.00 0.36 0.00 -1.16 0.00 0.00 179.01 178.24 1hdl s ALA 52 N -4.57 3.29 -0.07 3.43 0.00 -0.92 -4.90 121.76 118.02 1hdl s ALA 52 Ca -0.04 0.62 0.25 0.00 0.00 0.00 0.00 51.96 52.79 1hdl s ALA 52 Cb 0.15 -3.21 1.37 0.00 0.00 0.00 0.00 23.12 21.42 1hdl s ALA 52 CO 0.52 0.15 1.77 0.87 0.00 0.00 0.00 175.76 179.07 1hdl h LYS 53 N 3.72 0.00 0.00 0.00 1.79 -1.86 -0.77 116.57 119.44 1hdl h LYS 53 Ca -0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1hdl h LYS 53 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1hdl h LYS 53 CO 0.67 0.00 -0.12 0.66 -1.08 0.00 0.00 179.45 179.58 1hdl h SER 54 N 0.00 0.00 0.00 0.86 4.64 -1.88 -3.53 113.55 113.64 1hdl h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hdl h SER 54 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1hdl h SER 54 CO 0.00 0.12 0.00 1.67 -0.87 0.00 0.00 176.83 177.75