#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkh s ALA 2 N 0.00 3.41 0.28 -0.72 0.00 -1.26 -4.93 121.76 118.55 2qkh s ALA 2 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 2qkh s ALA 2 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 2qkh s ALA 2 CO 0.00 -0.42 1.26 0.39 0.00 0.00 0.00 175.76 176.99 2qkh n GLU 3 N 3.57 1.87 -0.53 0.00 1.02 -1.26 -2.73 120.64 122.57 2qkh n GLU 3 Ca 0.08 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2qkh n GLU 3 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 2qkh n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qkh n GLY 4 N 1.43 0.74 3.94 0.62 0.00 -1.26 -5.05 105.19 105.61 2qkh n GLY 4 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2qkh n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qkh s THR 5 N -2.28 5.17 0.14 2.61 -4.23 -1.11 -4.99 115.64 110.95 2qkh s THR 5 Ca 0.00 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 2qkh s THR 5 Cb 0.00 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2qkh s THR 5 CO 0.00 -0.23 1.75 0.15 -0.54 0.00 0.00 174.62 175.76 2qkh h PHE 6 N 1.64 0.21 -0.21 3.99 3.57 -1.97 -0.54 116.94 123.63 2qkh h PHE 6 Ca -0.50 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 2qkh h PHE 6 Cb 1.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2qkh h PHE 6 CO 0.50 0.10 -0.13 0.97 -2.23 0.00 0.00 178.31 177.52 2qkh h ILE 7 N 0.25 1.20 0.05 1.41 2.10 -1.96 0.14 117.51 120.70 2qkh h ILE 7 Ca 0.13 -0.88 -0.00 0.00 1.08 0.00 0.00 64.86 65.19 2qkh h ILE 7 Cb 0.09 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 2qkh h ILE 7 CO -0.13 0.28 -0.02 -1.28 -1.08 0.00 0.00 178.15 175.92 2qkh h SER 8 N 0.31 -0.06 -0.76 2.19 0.87 -1.74 -1.60 113.55 112.77 2qkh h SER 8 Ca 0.06 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2qkh h SER 8 Cb 0.42 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 2qkh h SER 8 CO 0.02 0.31 0.47 0.44 -0.53 0.00 0.00 176.83 177.54 2qkh h ASP 9 N -0.43 0.75 -0.10 6.23 3.32 -0.61 -0.39 116.42 125.20 2qkh h ASP 9 Ca -0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qkh h ASP 9 Cb 0.39 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2qkh h ASP 9 CO 0.01 0.50 0.04 0.22 -1.72 0.00 0.00 179.24 178.30 2qkh h TYR 10 N 0.89 0.14 -0.98 4.55 3.20 -0.76 -2.02 116.97 121.99 2qkh h TYR 10 Ca 0.32 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2qkh h TYR 10 Cb 0.08 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 2qkh h TYR 10 CO -0.04 0.23 0.65 0.77 -1.64 0.00 0.00 178.16 178.13 2qkh h SER 11 N 0.01 1.11 -0.58 -2.11 0.02 -0.94 -1.44 113.55 109.62 2qkh h SER 11 Ca 0.03 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2qkh h SER 11 Cb 0.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2qkh h SER 11 CO -0.00 0.79 0.10 0.40 -1.14 0.00 0.00 176.83 176.98 2qkh h ILE 12 N 1.31 1.26 -0.40 3.27 2.04 -0.96 0.41 117.51 124.44 2qkh h ILE 12 Ca 0.37 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2qkh h ILE 12 Cb -0.11 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2qkh h ILE 12 CO -0.09 0.36 0.14 0.00 0.00 0.00 0.00 178.15 178.56 2qkh h ALA 13 N 1.01 0.52 -0.63 1.87 0.00 -0.93 -1.02 119.26 120.08 2qkh h ALA 13 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qkh h ALA 13 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2qkh h ALA 13 CO 0.01 0.14 0.20 0.52 0.00 0.00 0.00 179.25 180.12 2qkh h MET 14 N 0.50 0.97 -0.75 0.00 2.86 -1.10 -2.95 114.93 114.46 2qkh h MET 14 Ca 0.13 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2qkh h MET 14 Cb 0.22 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2qkh h MET 14 CO -0.01 0.85 0.37 0.22 1.06 0.00 0.00 176.91 179.41 2qkh h ASP 15 N 0.90 0.95 -0.91 1.22 3.58 -0.73 -0.88 116.42 120.55 2qkh h ASP 15 Ca 0.20 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.57 2qkh h ASP 15 Cb 0.29 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2qkh h ASP 15 CO -0.01 0.80 0.60 0.11 -2.88 0.00 0.00 179.24 177.86 2qkh h LYS 16 N 1.06 1.18 -0.29 0.28 1.57 -1.02 -0.30 116.57 119.04 2qkh h LYS 16 Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2qkh h LYS 16 Cb 0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2qkh h LYS 16 CO -0.04 0.78 0.10 0.82 -0.57 0.00 0.00 179.45 180.55 2qkh h ILE 17 N 1.21 1.19 -0.92 1.86 2.04 -1.27 -2.65 117.51 118.96 2qkh h ILE 17 Ca 0.34 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.70 2qkh h ILE 17 Cb -0.11 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2qkh h ILE 17 CO -0.08 0.20 0.57 0.45 0.00 0.00 0.00 178.15 179.28 2qkh h HIS 18 N 0.31 1.03 -0.55 1.37 3.86 -0.50 -0.38 115.15 120.29 2qkh h HIS 18 Ca 0.10 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2qkh h HIS 18 Cb 0.21 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 2qkh h HIS 18 CO -0.00 0.45 0.37 1.96 0.86 0.00 0.00 177.93 181.56 2qkh h GLN 19 N 0.95 0.73 -0.42 2.45 4.20 -0.88 -0.75 115.11 121.39 2qkh h GLN 19 Ca 0.44 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.99 2qkh h GLN 19 Cb 0.35 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2qkh h GLN 19 CO -0.23 0.48 -0.19 0.37 -0.67 0.00 0.00 178.83 178.59 2qkh h GLN 20 N 0.75 0.80 -0.63 1.46 5.75 -1.06 -2.18 115.11 120.01 2qkh h GLN 20 Ca 0.20 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2qkh h GLN 20 Cb -0.09 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 2qkh h GLN 20 CO -0.04 0.93 0.38 -0.44 -2.65 0.00 0.00 178.83 177.00 2qkh h ASP 21 N 0.71 0.60 -0.31 -0.69 3.32 -0.73 0.15 116.42 119.48 2qkh h ASP 21 Ca 0.10 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2qkh h ASP 21 Cb 0.70 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2qkh h ASP 21 CO 0.05 0.41 0.11 0.15 -1.72 0.00 0.00 179.24 178.24 2qkh h PHE 22 N 0.73 0.48 -0.58 4.55 3.57 -0.84 -1.04 116.94 123.80 2qkh h PHE 22 Ca 0.26 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2qkh h PHE 22 Cb 0.06 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2qkh h PHE 22 CO -0.06 0.48 0.35 0.28 -2.23 0.00 0.00 178.31 177.13 2qkh h VAL 23 N 0.34 1.17 -0.83 1.41 2.07 -1.10 -0.30 116.25 119.01 2qkh h VAL 23 Ca 0.10 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.31 2qkh h VAL 23 Cb 0.22 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 2qkh h VAL 23 CO -0.01 0.18 0.49 0.78 0.02 0.00 0.00 177.57 179.03 2qkh h ASN 24 N 0.79 0.73 -0.55 0.57 2.35 -0.59 -0.53 115.58 118.34 2qkh h ASN 24 Ca 0.21 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2qkh h ASN 24 Cb -0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2qkh h ASN 24 CO -0.04 0.44 -0.03 -0.25 -1.65 0.00 0.00 177.43 175.89 2qkh h TRP 25 N 0.85 1.10 -0.42 1.19 7.01 -0.50 -0.97 115.95 124.21 2qkh h TRP 25 Ca 0.38 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 61.18 2qkh h TRP 25 Cb 0.28 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 2qkh h TRP 25 CO -0.05 1.00 0.26 -0.07 -2.79 0.00 0.00 178.44 176.79 2qkh h LEU 26 N 0.88 0.49 -0.92 0.65 3.38 -0.41 -2.13 115.31 117.25 2qkh h LEU 26 Ca 0.15 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2qkh h LEU 26 Cb 0.59 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2qkh h LEU 26 CO 0.04 0.38 0.60 -0.07 0.09 0.00 0.00 178.44 179.48 2qkh h LEU 27 N 0.56 1.02 -1.23 1.67 3.38 -0.88 -2.32 115.31 117.51 2qkh h LEU 27 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qkh h LEU 27 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2qkh h LEU 27 CO -0.03 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2qkh h ALA 28 N 1.36 1.00 0.00 1.53 0.00 -0.54 -3.17 119.26 119.45 2qkh h ALA 28 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2qkh h ALA 28 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qkh h ALA 28 CO -0.10 0.00 -0.21 1.96 0.00 0.00 0.00 179.25 180.90 2qkh h GLN 29 N 0.00 0.00 -0.53 0.00 1.08 -0.93 -2.46 115.11 112.27 2qkh h GLN 29 Ca 0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2qkh h GLN 29 Cb 0.34 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 2qkh h GLN 29 CO 0.00 0.21 0.25 -0.22 -0.95 0.00 0.00 178.83 178.12 2qkh h LYS 30 N 0.00 0.46 0.00 1.46 3.64 -1.73 -0.52 116.57 119.89 2qkh h LYS 30 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2qkh h LYS 30 Cb 0.39 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2qkh h LYS 30 CO 0.03 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.92 2qkh n GLY 31 N -1.26 -0.78 2.11 5.01 0.00 -0.93 -5.23 105.19 104.11 2qkh n GLY 31 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qkh n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60