#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 6.56 0.00 4.39 0.01 -1.26 -4.92 114.94 119.72 1hdl s ASN 2 Ca 0.00 0.68 0.12 0.00 -0.71 0.00 0.00 52.86 52.95 1hdl s ASN 2 Cb 0.00 -2.31 0.56 0.00 0.41 0.00 0.00 41.25 39.91 1hdl s ASN 2 CO 0.00 -0.23 1.35 1.21 -1.51 0.00 0.00 177.10 177.92 1hdl n GLU 3 N 5.06 0.07 -0.01 -0.60 2.13 -1.26 -2.24 120.64 123.79 1hdl n GLU 3 Ca -0.04 0.24 -0.08 0.00 0.66 0.00 0.00 57.16 57.95 1hdl n GLU 3 Cb 0.50 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.57 1hdl n GLU 3 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1hdl h ASP 4 N 0.00 0.00 0.00 4.31 1.82 -2.03 -3.48 116.42 117.05 1hdl h ASP 4 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1hdl h ASP 4 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1hdl h ASP 4 CO 0.00 0.99 0.00 1.67 -1.61 0.00 0.00 179.24 180.29 1hdl n GLN 5 N -3.08 0.00 -0.59 0.28 7.27 -0.95 -4.53 117.38 115.78 1hdl n GLN 5 Ca -0.15 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.75 1hdl n GLN 5 Cb 1.03 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.67 1hdl n GLN 5 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1hdl n GLU 6 N 0.00 1.66 -0.49 3.69 -0.58 -1.26 -4.61 120.64 119.04 1hdl n GLU 6 Ca 0.00 -1.25 0.43 0.00 -0.42 0.00 0.00 57.16 55.92 1hdl n GLU 6 Cb 0.00 -2.34 0.71 0.00 -0.57 0.00 0.00 31.44 29.24 1hdl n GLU 6 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1hdl h MET 7 N 6.59 0.00 -5.08 3.49 2.86 -1.97 -3.33 114.93 117.49 1hdl h MET 7 Ca 0.39 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.40 1hdl h MET 7 Cb 0.14 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.65 1hdl h MET 7 CO 1.33 0.00 -0.32 0.00 1.06 0.00 0.00 176.91 178.98 1hdl n HIS 9 N 5.26 0.00 -0.14 0.00 -0.00 -1.25 -4.38 115.22 114.71 1hdl n HIS 9 Ca -0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.52 1hdl n HIS 9 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.49 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 0.68 0.00 -0.41 4.81 -1.94 -2.91 114.58 114.80 1hdl h GLU 10 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1hdl h GLU 10 Cb 0.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1hdl h GLU 10 CO 0.00 0.76 -0.28 0.74 -0.73 0.00 0.00 179.01 179.49 1hdl h PHE 11 N 0.52 0.00 -1.02 0.92 -1.00 -1.96 -3.31 116.94 111.08 1hdl h PHE 11 Ca 0.12 0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.19 1hdl h PHE 11 Cb 0.43 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.86 1hdl h PHE 11 CO 0.03 0.00 0.60 0.37 -1.61 0.00 0.00 178.31 177.71 1hdl h GLN 12 N 0.00 0.41 0.00 1.51 4.15 -1.71 2.13 115.11 121.60 1hdl h GLN 12 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1hdl h GLN 12 Cb 0.95 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 1hdl h GLN 12 CO 0.00 0.27 -0.00 0.00 -1.93 0.00 0.00 178.83 177.17 1hdl h ALA 13 N 1.77 1.02 -0.39 3.38 0.00 -1.69 -0.74 119.26 122.62 1hdl h ALA 13 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1hdl h ALA 13 Cb 1.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1hdl h ALA 13 CO -0.52 0.00 0.00 1.19 0.00 0.00 0.00 179.25 179.92 1hdl n PHE 14 N -3.12 1.16 -3.49 0.00 3.72 0.72 -4.85 117.46 111.61 1hdl n PHE 14 Ca -0.02 -0.43 -0.40 0.00 -0.05 0.00 0.00 57.45 56.55 1hdl n PHE 14 Cb 0.13 -0.28 -0.10 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.94 3.57 -0.94 -1.08 0.23 -0.28 -2.15 119.30 116.71 1hdl s MET 15 Ca 0.34 -0.53 -0.15 0.00 -1.03 0.00 0.00 55.69 54.32 1hdl s MET 15 Cb 0.24 -3.79 0.20 0.00 -1.53 0.00 0.00 34.83 29.95 1hdl s MET 15 CO 0.13 -0.44 0.99 0.21 -2.03 0.00 0.00 175.02 173.88 1hdl s LYS 16 N 1.82 3.74 -1.20 3.16 2.20 0.53 -4.54 119.74 125.45 1hdl s LYS 16 Ca 0.08 -2.39 -0.02 0.00 -0.36 0.00 0.00 55.97 53.29 1hdl s LYS 16 Cb -0.17 -4.65 -0.01 0.00 -1.51 0.00 0.00 37.83 31.49 1hdl s LYS 16 CO 0.11 -1.47 0.92 0.09 -0.36 0.00 0.00 175.35 174.64 1hdl n ASN 17 N 4.68 -2.67 0.00 1.43 3.02 -1.26 -1.68 115.26 118.78 1hdl n ASN 17 Ca 0.20 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1hdl n ASN 17 Cb 0.46 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 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 -1.26 2.00 3.50 7.41 0.00 -1.26 -5.00 105.19 110.59 1hdl n GLY 18 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.41 3.24 -0.35 1.61 2.36 -0.67 -5.04 119.74 120.48 1hdl s LYS 19 Ca 0.00 -0.59 -0.18 0.00 -2.55 0.00 0.00 55.97 52.64 1hdl s LYS 19 Cb 0.00 -3.93 -0.00 0.00 -1.05 0.00 0.00 37.83 32.85 1hdl s LYS 19 CO 0.00 -0.81 0.53 -1.17 1.55 0.00 0.00 175.35 175.45 1hdl s LEU 20 N 2.25 4.34 -1.09 5.43 0.20 -1.26 0.20 118.68 128.75 1hdl s LEU 20 Ca 0.14 -0.01 -0.04 0.00 0.69 0.00 0.00 54.13 54.91 1hdl s LEU 20 Cb -0.16 -2.61 0.30 0.00 -0.43 0.00 0.00 46.19 43.28 1hdl s LEU 20 CO 0.14 -0.50 1.55 2.22 -0.29 0.00 0.00 176.35 179.47 1hdl n PHE 21 N 5.79 2.30 -0.20 5.38 1.16 -0.91 -4.84 117.46 126.14 1hdl n PHE 21 Ca -0.04 -2.58 0.00 0.00 -1.87 0.00 0.00 57.45 52.96 1hdl n PHE 21 Cb 0.49 -1.30 0.08 0.00 -1.61 0.00 0.00 39.48 37.14 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 -6.18 1.48 0.00 0.00 0.02 -1.26 -4.44 135.00 124.62 1hdl s PRO 23 Ca -0.14 -0.29 0.00 0.00 0.02 0.00 0.00 61.00 60.59 1hdl s PRO 23 Cb 0.19 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.74 1hdl s PRO 23 CO 0.74 -5.00 0.00 0.94 -0.33 0.00 0.00 177.00 173.35 1hdl n GLN 24 N 8.37 0.00 -3.41 5.54 7.27 -1.25 -5.02 117.38 128.88 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 -1.43 0.37 0.00 1.69 -0.08 -1.26 -4.93 116.55 110.90 1hdl n ASP 25 Ca 0.00 -2.62 0.07 0.00 -1.51 0.00 0.00 54.79 50.73 1hdl n ASP 25 Cb 0.00 -0.61 0.38 0.00 2.34 0.00 0.00 41.12 43.23 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 2.25 0.32 -0.44 -0.67 5.02 -1.26 -3.59 118.16 119.78 1hdl n LYS 26 Ca 0.26 0.08 0.40 0.00 -2.02 0.00 0.00 58.31 57.03 1hdl n LYS 26 Cb 0.47 -1.50 0.67 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.18 1.97 1.57 -1.97 0.49 116.57 118.45 1hdl h LYS 27 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1hdl h LYS 27 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1hdl h LYS 27 CO 0.00 0.00 0.60 0.74 -0.57 0.00 0.00 179.45 180.22 1hdl h PHE 28 N 0.00 0.00 0.00 -1.35 0.04 -1.85 0.42 116.94 114.21 1hdl h PHE 28 Ca 0.69 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.46 1hdl h PHE 28 Cb 3.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.31 1hdl h PHE 28 CO 0.00 0.00 0.32 0.35 -0.60 0.00 0.00 178.31 178.38 1hdl h PHE 29 N 0.00 0.00 0.00 -0.55 3.04 -0.16 0.71 116.94 119.97 1hdl h PHE 29 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1hdl h PHE 29 Cb 1.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.79 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 -2.59 0.25 -3.95 1.11 6.02 0.14 -4.56 117.38 113.79 1hdl n GLN 30 Ca -0.02 0.12 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1hdl n GLN 30 Cb 0.35 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.43 0.24 0.05 1.08 0.01 0.22 -5.02 113.70 107.86 1hdl s SER 31 Ca 0.15 -0.81 -0.36 0.00 1.31 0.00 0.00 55.95 56.23 1hdl s SER 31 Cb 0.09 0.30 -0.20 0.00 0.21 0.00 0.00 66.02 66.42 1hdl s SER 31 CO 0.19 -0.70 1.51 0.25 0.41 0.00 0.00 173.24 174.90 1hdl h LEU 32 N 2.87 -1.10 -1.26 2.44 6.46 -1.85 1.85 115.31 124.72 1hdl h LEU 32 Ca -0.34 0.04 0.21 0.00 -0.12 0.00 0.00 57.88 57.67 1hdl h LEU 32 Cb 1.18 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 41.31 1hdl h LEU 32 CO 0.59 -0.76 0.62 -0.78 -0.62 0.00 0.00 178.44 177.49 1hdl h ASP 33 N -1.33 0.58 -0.17 1.25 3.58 -1.98 0.60 116.42 118.96 1hdl h ASP 33 Ca -0.13 0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.18 1hdl h ASP 33 Cb 0.99 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.02 1hdl h ASP 33 CO 0.22 0.19 -0.70 1.23 -2.88 0.00 0.00 179.24 177.30 1hdl h GLY 34 N 0.56 0.88 1.33 -0.78 0.00 -1.51 -3.00 103.07 100.54 1hdl h GLY 34 Ca 0.55 -1.17 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1hdl h GLY 34 CO -0.29 1.04 0.43 -2.22 0.00 0.00 0.00 176.54 175.50 1hdl h ILE 35 N 0.57 1.14 0.12 2.60 1.08 0.81 -2.79 117.51 121.03 1hdl h ILE 35 Ca -0.03 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1hdl h ILE 35 Cb 1.32 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 1hdl h ILE 35 CO 0.15 0.15 -0.33 0.24 -0.69 0.00 0.00 178.15 177.67 1hdl h MET 36 N 0.85 -0.53 -0.75 2.37 2.86 -0.49 -2.32 114.93 116.91 1hdl h MET 36 Ca 0.24 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.06 1hdl h MET 36 Cb -0.05 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 31.60 1hdl h MET 36 CO -0.06 -0.36 -0.30 0.35 1.06 0.00 0.00 176.91 177.60 1hdl h PHE 37 N -0.55 -0.80 -0.97 -0.22 3.04 -1.54 1.02 116.94 116.92 1hdl h PHE 37 Ca 0.03 0.08 0.21 0.00 3.98 0.00 0.00 57.97 62.27 1hdl h PHE 37 Cb 0.59 0.46 -0.08 0.00 2.56 0.00 0.00 35.95 39.47 1hdl h PHE 37 CO -0.30 -0.38 0.62 0.82 -2.02 0.00 0.00 178.31 177.06 1hdl h ILE 38 N -0.07 0.66 -0.06 1.41 2.04 -1.46 2.25 117.51 122.27 1hdl h ILE 38 Ca 0.31 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 1hdl h ILE 38 Cb 0.57 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1hdl h ILE 38 CO -0.80 0.10 -0.49 0.78 0.00 0.00 0.00 178.15 177.74 1hdl h ASN 39 N 0.53 0.17 0.34 1.72 -0.26 0.14 -2.98 115.58 115.24 1hdl h ASN 39 Ca 0.53 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 1hdl h ASN 39 Cb 1.14 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1hdl h ASN 39 CO -0.26 0.63 -1.17 0.29 -1.06 0.00 0.00 177.43 175.86 1hdl n LYS 40 N -3.96 0.32 0.00 0.81 5.02 0.15 -3.95 118.16 116.55 1hdl n LYS 40 Ca -0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1hdl n LYS 40 Cb 0.52 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.56 0.53 0.00 0.00 -1.79 -2.18 119.26 115.61 1hdl h ALA 42 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1hdl h ALA 42 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hdl h ALA 42 CO 0.00 0.34 -0.25 1.15 0.00 0.00 0.00 179.25 180.49 1hdl h THR 43 N 0.50 0.22 -0.59 0.00 2.02 -1.63 -2.87 112.91 110.56 1hdl h THR 43 Ca 0.12 -0.46 0.17 0.00 0.77 0.00 0.00 66.41 67.01 1hdl h THR 43 Cb 0.13 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1hdl h THR 43 CO -0.01 0.04 0.51 0.00 0.37 0.00 0.00 175.52 176.43 1hdl h LYS 45 N 0.00 0.11 0.00 0.00 3.64 -1.18 -2.46 116.57 116.68 1hdl h LYS 45 Ca 0.28 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1hdl h LYS 45 Cb 1.30 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1hdl h LYS 45 CO -0.00 0.31 -0.07 0.00 -2.27 0.00 0.00 179.45 177.42 1hdl h MET 46 N -0.11 0.00 -1.01 1.90 -0.00 -0.93 -2.33 114.93 112.45 1hdl h MET 46 Ca 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.79 1hdl h MET 46 Cb 0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.78 1hdl h MET 46 CO 0.00 0.07 0.65 0.82 -0.00 0.00 0.00 176.91 178.45 1hdl h ILE 47 N 0.00 1.09 -0.17 -0.10 1.08 -1.07 -0.31 117.51 118.03 1hdl h ILE 47 Ca -0.00 -0.41 -0.22 0.00 -0.39 0.00 0.00 64.86 63.84 1hdl h ILE 47 Cb 0.25 -0.20 0.01 0.00 -3.07 0.00 0.00 36.82 33.82 1hdl h ILE 47 CO 0.01 0.22 -0.76 -0.07 -0.69 0.00 0.00 178.15 176.86 1hdl h LEU 48 N 1.18 0.95 -2.11 1.44 -0.00 -1.45 -2.94 115.31 112.38 1hdl h LEU 48 Ca 0.43 -0.61 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1hdl h LEU 48 Cb 0.16 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1hdl h LEU 48 CO -0.17 1.41 -0.06 -0.33 -0.00 0.00 0.00 178.44 179.29 1hdl h GLU 49 N 0.56 0.00 -0.02 1.13 5.08 -1.31 -2.55 114.58 117.47 1hdl h GLU 49 Ca -0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 1hdl h GLU 49 Cb 1.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.65 1hdl h GLU 49 CO 0.16 0.06 -0.89 0.87 -1.00 0.00 0.00 179.01 178.21 1hdl h LYS 50 N 0.00 0.64 -0.05 2.33 1.79 -0.91 -3.14 116.57 117.24 1hdl h LYS 50 Ca -0.00 -0.66 0.01 0.00 -2.18 0.00 0.00 60.65 57.82 1hdl h LYS 50 Cb 0.27 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1hdl h LYS 50 CO 0.01 1.26 0.05 0.93 -1.08 0.00 0.00 179.45 180.61 1hdl h GLU 51 N 0.28 0.00 -6.42 3.15 5.08 -1.36 -3.33 114.58 111.98 1hdl h GLU 51 Ca -0.11 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.71 1hdl h GLU 51 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1hdl h GLU 51 CO 0.18 0.00 0.39 0.00 -1.00 0.00 0.00 179.01 178.57 1hdl s ALA 52 N -4.73 3.18 -1.42 3.43 0.00 -1.19 -3.57 121.76 117.47 1hdl s ALA 52 Ca -0.05 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1hdl s ALA 52 Cb 0.16 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1hdl s ALA 52 CO 0.57 -0.25 1.08 1.63 0.00 0.00 0.00 175.76 178.80 1hdl n LYS 53 N 3.88 -6.79 0.23 0.00 5.02 -1.26 -4.82 118.16 114.41 1hdl n LYS 53 Ca 0.06 0.73 0.16 0.00 -2.02 0.00 0.00 58.31 57.23 1hdl n LYS 53 Cb 0.51 -5.69 0.76 0.00 -0.02 0.00 0.00 35.03 30.59 1hdl n LYS 53 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1hdl h SER 54 N -2.39 0.00 -0.02 4.39 0.87 -1.67 -3.51 113.55 111.23 1hdl h SER 54 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1hdl h SER 54 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1hdl h SER 54 CO 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.90