#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 4.85 0.54 4.39 0.01 -1.26 -5.00 114.94 118.47 1hdl s ASN 2 Ca 0.00 -0.19 0.28 0.00 -0.71 0.00 0.00 52.86 52.24 1hdl s ASN 2 Cb 0.00 -1.12 1.52 0.00 0.41 0.00 0.00 41.25 42.06 1hdl s ASN 2 CO 0.00 0.21 2.10 -0.33 -1.51 0.00 0.00 177.10 177.57 1hdl h GLU 3 N 3.76 0.00 -6.98 -0.60 4.39 -2.08 -3.46 114.58 109.61 1hdl h GLU 3 Ca -0.48 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.62 1hdl h GLU 3 Cb 1.17 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.62 1hdl h GLU 3 CO 0.57 0.10 -0.95 -3.47 -1.16 0.00 0.00 179.01 174.10 1hdl n ASP 4 N -3.65 0.34 -4.32 1.42 -0.08 -1.26 -4.86 116.55 104.14 1hdl n ASP 4 Ca -0.02 -1.22 -0.46 0.00 -1.51 0.00 0.00 54.79 51.58 1hdl n ASP 4 Cb 0.21 -1.90 -0.03 0.00 2.34 0.00 0.00 41.12 41.75 1hdl n ASP 4 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1hdl s GLN 5 N -7.21 3.49 -1.34 -0.67 0.74 -1.26 -4.57 119.66 108.85 1hdl s GLN 5 Ca 0.10 -2.38 -0.05 0.00 0.05 0.00 0.00 55.36 53.08 1hdl s GLN 5 Cb -0.06 -4.39 0.02 0.00 1.10 0.00 0.00 33.01 29.69 1hdl s GLN 5 CO 0.98 -1.29 0.96 0.39 -0.55 0.00 0.00 175.29 175.78 1hdl n GLU 6 N 4.10 -6.30 0.33 1.67 1.02 -1.26 -4.83 120.64 115.37 1hdl n GLU 6 Ca 0.10 0.73 0.21 0.00 -0.02 0.00 0.00 57.16 58.19 1hdl n GLU 6 Cb 0.46 -5.61 1.11 0.00 -0.02 0.00 0.00 31.44 27.38 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 -2.14 0.00 -4.64 3.49 2.86 -1.97 -3.39 114.93 109.14 1hdl h MET 7 Ca -0.59 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.50 1hdl h MET 7 Cb 1.36 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 32.68 1hdl h MET 7 CO 0.57 0.00 -0.83 0.00 1.06 0.00 0.00 176.91 177.72 1hdl n HIS 9 N 4.07 0.00 -0.02 0.00 -0.00 -1.26 -4.41 115.22 113.60 1hdl n HIS 9 Ca -0.20 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.36 1hdl n HIS 9 Cb 0.51 -0.10 -0.10 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.00 0.31 -0.42 -0.41 5.08 -1.97 -3.28 114.58 113.88 1hdl h GLU 10 Ca 0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1hdl h GLU 10 Cb 0.20 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1hdl h GLU 10 CO 0.00 0.97 -0.17 0.74 -1.00 0.00 0.00 179.01 179.55 1hdl h PHE 11 N -0.25 0.88 -0.73 4.33 0.04 -1.98 -2.98 116.94 116.27 1hdl h PHE 11 Ca -0.04 -0.18 0.16 0.00 2.80 0.00 0.00 57.97 60.71 1hdl h PHE 11 Cb 1.07 -0.22 -0.13 0.00 2.20 0.00 0.00 35.95 38.88 1hdl h PHE 11 CO 0.15 0.90 -0.04 0.37 -0.60 0.00 0.00 178.31 179.09 1hdl h GLN 12 N 0.70 0.07 0.00 1.51 4.15 -1.77 2.31 115.11 122.08 1hdl h GLN 12 Ca 0.11 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1hdl h GLN 12 Cb 0.67 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1hdl h GLN 12 CO 0.05 0.05 0.20 0.00 -1.93 0.00 0.00 178.83 177.20 1hdl h ALA 13 N 1.69 1.20 -0.33 3.38 0.00 -1.59 0.43 119.26 124.03 1hdl h ALA 13 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1hdl h ALA 13 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1hdl h ALA 13 CO -0.67 -0.20 0.00 1.19 0.00 0.00 0.00 179.25 179.58 1hdl n PHE 14 N -2.91 0.62 -3.08 0.00 3.72 0.78 -4.78 117.46 111.81 1hdl n PHE 14 Ca -0.02 -0.27 -0.44 0.00 -0.05 0.00 0.00 57.45 56.67 1hdl n PHE 14 Cb 0.25 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.62 3.13 -0.90 -1.08 0.23 0.15 -2.11 119.30 117.11 1hdl s MET 15 Ca 0.24 -0.89 -0.20 0.00 -1.03 0.00 0.00 55.69 53.81 1hdl s MET 15 Cb 0.14 -4.14 0.10 0.00 -1.53 0.00 0.00 34.83 29.41 1hdl s MET 15 CO 0.14 -1.37 1.16 0.21 -2.03 0.00 0.00 175.02 173.12 1hdl s LYS 16 N 2.94 3.50 -1.19 3.16 2.20 0.52 -4.33 119.74 126.54 1hdl s LYS 16 Ca 0.17 -1.45 -0.03 0.00 -0.36 0.00 0.00 55.97 54.30 1hdl s LYS 16 Cb -0.19 -4.86 -0.02 0.00 -1.51 0.00 0.00 37.83 31.25 1hdl s LYS 16 CO 0.12 -1.87 0.89 0.09 -0.36 0.00 0.00 175.35 174.21 1hdl n ASN 17 N 7.24 -3.16 0.00 1.43 3.02 -1.26 -1.40 115.26 121.13 1hdl n ASN 17 Ca 0.20 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1hdl n ASN 17 Cb 0.49 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 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 -1.31 1.44 3.33 7.41 0.00 -1.26 -4.98 105.19 109.81 1hdl n GLY 18 Ca -0.23 0.00 -0.44 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 -0.17 2.90 -0.56 1.61 2.36 -0.49 -5.03 119.74 120.35 1hdl s LYS 19 Ca 0.00 -1.53 -0.22 0.00 -2.55 0.00 0.00 55.97 51.67 1hdl s LYS 19 Cb 0.00 -4.14 0.06 0.00 -1.05 0.00 0.00 37.83 32.70 1hdl s LYS 19 CO 0.00 -1.15 0.83 -1.17 1.55 0.00 0.00 175.35 175.41 1hdl s LEU 20 N 1.58 4.53 -1.32 5.43 0.20 -1.26 0.20 118.68 128.03 1hdl s LEU 20 Ca 0.04 -0.75 -0.10 0.00 0.69 0.00 0.00 54.13 54.01 1hdl s LEU 20 Cb -0.26 -2.58 0.14 0.00 -0.43 0.00 0.00 46.19 43.05 1hdl s LEU 20 CO 0.04 -1.16 2.00 2.22 -0.29 0.00 0.00 176.35 179.16 1hdl n PHE 21 N 7.03 3.00 -0.26 5.38 1.16 -0.90 -4.80 117.46 128.08 1hdl n PHE 21 Ca -0.03 -2.83 0.01 0.00 -1.87 0.00 0.00 57.45 52.73 1hdl n PHE 21 Cb 0.46 -2.06 0.08 0.00 -1.61 0.00 0.00 39.48 36.35 1hdl n PHE 21 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1hdl n PRO 23 N -5.49 0.07 0.00 0.00 -0.02 -1.26 -4.58 135.00 123.72 1hdl n PRO 23 Ca 0.10 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.06 1hdl n PRO 23 Cb 0.38 -3.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.27 1hdl n PRO 23 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1hdl n GLN 24 N 7.96 0.00 -3.30 -0.52 7.27 -1.24 -4.97 117.38 122.58 1hdl n GLN 24 Ca 0.40 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.22 1hdl n GLN 24 Cb 0.46 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.04 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 -0.10 1.86 0.15 1.69 2.03 -1.26 -4.92 116.55 116.00 1hdl n ASP 25 Ca 0.00 -3.04 0.08 0.00 0.52 0.00 0.00 54.79 52.34 1hdl n ASP 25 Cb 0.00 -0.65 0.40 0.00 -0.72 0.00 0.00 41.12 40.15 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 1.16 0.10 -0.34 -0.67 5.02 -1.26 -2.56 118.16 119.60 1hdl n LYS 26 Ca 0.25 0.57 0.35 0.00 -2.02 0.00 0.00 58.31 57.47 1hdl n LYS 26 Cb 0.47 -2.00 0.59 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.79 -1.99 0.91 116.57 119.25 1hdl h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hdl h LYS 27 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1hdl h LYS 27 CO 0.00 0.00 0.27 0.74 -1.08 0.00 0.00 179.45 179.38 1hdl h PHE 28 N 0.00 0.00 -0.09 -1.35 0.04 -1.85 -1.63 116.94 112.07 1hdl h PHE 28 Ca 0.60 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.40 1hdl h PHE 28 Cb 3.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 41.16 1hdl h PHE 28 CO 0.00 0.00 0.55 0.35 -0.60 0.00 0.00 178.31 178.61 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 0.64 0.45 116.94 120.52 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 0.54 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.05 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 -2.89 0.41 -4.06 1.11 6.02 -0.61 -4.39 117.38 112.96 1hdl n GLN 30 Ca 0.01 0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 1hdl n GLN 30 Cb 0.61 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.25 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 -2.20 0.77 0.20 1.08 0.01 0.16 -5.03 113.70 108.70 1hdl s SER 31 Ca 0.21 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1hdl s SER 31 Cb 0.11 0.03 0.27 0.00 0.21 0.00 0.00 66.02 66.64 1hdl s SER 31 CO 0.21 -0.19 1.71 0.25 0.41 0.00 0.00 173.24 175.62 1hdl h LEU 32 N 4.65 -0.01 -0.87 2.44 7.12 -1.84 0.59 115.31 127.39 1hdl h LEU 32 Ca -0.35 0.11 0.07 0.00 0.13 0.00 0.00 57.88 57.84 1hdl h LEU 32 Cb 1.20 0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 41.42 1hdl h LEU 32 CO 0.41 0.01 0.54 0.44 -0.13 0.00 0.00 178.44 179.71 1hdl h ASP 33 N 0.25 0.84 -0.20 1.25 3.32 -1.96 0.23 116.42 120.14 1hdl h ASP 33 Ca 0.30 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1hdl h ASP 33 Cb 0.44 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1hdl h ASP 33 CO -0.39 0.53 -0.11 1.23 -1.72 0.00 0.00 179.24 178.78 1hdl h GLY 34 N 0.97 0.47 0.72 2.75 0.00 -0.96 -1.57 103.07 105.44 1hdl h GLY 34 Ca 0.38 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.40 1hdl h GLY 34 CO -0.18 0.39 0.54 -2.22 0.00 0.00 0.00 176.54 175.07 1hdl h ILE 35 N 0.12 0.90 0.25 2.60 1.08 0.11 0.28 117.51 122.86 1hdl h ILE 35 Ca 0.04 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1hdl h ILE 35 Cb 0.60 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1hdl h ILE 35 CO 0.03 0.13 -0.12 0.24 -0.69 0.00 0.00 178.15 177.74 1hdl h MET 36 N 0.71 -0.33 -0.54 2.37 2.86 -0.26 -2.16 114.93 117.59 1hdl h MET 36 Ca 0.40 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.16 1hdl h MET 36 Cb 0.56 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.18 1hdl h MET 36 CO -0.16 -0.22 -0.19 0.35 1.06 0.00 0.00 176.91 177.75 1hdl h PHE 37 N -0.55 -0.46 -1.03 -0.22 3.04 -1.10 0.81 116.94 117.42 1hdl h PHE 37 Ca -0.03 0.05 0.26 0.00 3.98 0.00 0.00 57.97 62.23 1hdl h PHE 37 Cb 0.26 0.29 -0.11 0.00 2.56 0.00 0.00 35.95 38.95 1hdl h PHE 37 CO 0.07 -0.29 0.65 0.82 -2.02 0.00 0.00 178.31 177.54 1hdl h ILE 38 N -0.06 0.52 -0.02 1.41 2.04 -0.51 1.30 117.51 122.19 1hdl h ILE 38 Ca 0.25 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.81 1hdl h ILE 38 Cb 0.46 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1hdl h ILE 38 CO -0.59 0.08 -0.67 0.78 0.00 0.00 0.00 178.15 177.76 1hdl h ASN 39 N 0.46 0.11 0.79 1.72 -0.26 0.12 -3.01 115.58 115.51 1hdl h ASN 39 Ca 0.62 -0.07 -0.19 0.00 -0.56 0.00 0.00 56.30 56.09 1hdl h ASN 39 Cb 1.42 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.63 1hdl h ASN 39 CO -0.36 0.75 -0.90 0.11 -1.06 0.00 0.00 177.43 175.97 1hdl h LYS 40 N 0.07 0.06 0.00 0.81 1.57 0.37 -3.28 116.57 116.17 1hdl h LYS 40 Ca -0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1hdl h LYS 40 Cb 1.19 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1hdl h LYS 40 CO 0.09 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.89 1hdl h ALA 42 N -1.31 2.26 0.49 0.00 0.00 -1.71 -2.05 119.26 116.94 1hdl h ALA 42 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hdl h ALA 42 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hdl h ALA 42 CO 0.00 -0.44 -0.23 1.15 0.00 0.00 0.00 179.25 179.73 1hdl h THR 43 N 0.25 0.17 -1.02 0.00 2.02 -0.48 -3.06 112.91 110.80 1hdl h THR 43 Ca 0.31 -0.53 0.25 0.00 0.77 0.00 0.00 66.41 67.21 1hdl h THR 43 Cb 0.89 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.47 1hdl h THR 43 CO -0.07 0.04 0.65 0.00 0.37 0.00 0.00 175.52 176.50 1hdl h LYS 45 N 0.47 0.37 0.00 0.00 3.64 -1.33 -1.25 116.57 118.46 1hdl h LYS 45 Ca 0.58 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.91 1hdl h LYS 45 Cb 1.36 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1hdl h LYS 45 CO -0.32 0.24 -0.16 0.00 -2.27 0.00 0.00 179.45 176.95 1hdl h MET 46 N 0.38 0.00 -0.58 1.90 -0.00 -0.89 -2.50 114.93 113.24 1hdl h MET 46 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.83 1hdl h MET 46 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.66 1hdl h MET 46 CO -0.13 0.16 0.19 0.82 -0.00 0.00 0.00 176.91 177.95 1hdl h ILE 47 N 0.00 1.22 -0.33 -0.10 1.08 -0.79 -2.21 117.51 116.38 1hdl h ILE 47 Ca -0.00 -0.74 -0.11 0.00 -0.39 0.00 0.00 64.86 63.61 1hdl h ILE 47 Cb 0.47 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1hdl h ILE 47 CO 0.02 0.29 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.43 1hdl h LEU 48 N 0.84 0.69 -1.54 1.44 3.38 -1.29 -2.42 115.31 116.41 1hdl h LEU 48 Ca 0.19 -0.26 0.23 0.00 0.09 0.00 0.00 57.88 58.14 1hdl h LEU 48 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1hdl h LEU 48 CO -0.01 0.93 0.87 -0.33 0.09 0.00 0.00 178.44 179.99 1hdl h GLU 49 N 0.58 0.00 0.02 1.13 5.08 -1.36 1.70 114.58 121.73 1hdl h GLU 49 Ca 0.08 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 1hdl h GLU 49 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1hdl h GLU 49 CO 0.06 0.00 -0.97 0.87 -1.00 0.00 0.00 179.01 177.97 1hdl h LYS 50 N 0.00 0.06 -0.02 2.33 1.79 -1.50 -3.18 116.57 116.04 1hdl h LYS 50 Ca 0.38 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1hdl h LYS 50 Cb 2.12 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.80 1hdl h LYS 50 CO -0.00 0.98 0.02 0.93 -1.08 0.00 0.00 179.45 180.29 1hdl h GLU 51 N 0.02 0.00 0.00 3.15 4.39 0.25 -0.18 114.58 122.20 1hdl h GLU 51 Ca -0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1hdl h GLU 51 Cb 1.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 1hdl h GLU 51 CO 0.13 0.00 -0.35 0.00 -1.16 0.00 0.00 179.01 177.64 1hdl h ALA 52 N 1.97 0.77 -0.03 3.43 0.00 -1.52 -3.25 119.26 120.64 1hdl h ALA 52 Ca 0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1hdl h ALA 52 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hdl h ALA 52 CO -0.00 0.43 -0.76 0.87 0.00 0.00 0.00 179.25 179.79 1hdl h LYS 53 N 0.00 0.21 0.00 0.00 1.79 -1.13 -2.94 116.57 114.50 1hdl h LYS 53 Ca -0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1hdl h LYS 53 Cb 1.27 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1hdl h LYS 53 CO 0.05 0.87 0.00 0.45 -1.08 0.00 0.00 179.45 179.74 1hdl n SER 54 N -3.75 0.36 0.00 0.86 2.88 -1.14 -5.15 113.62 107.68 1hdl n SER 54 Ca -0.03 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1hdl n SER 54 Cb 0.73 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1hdl n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81