#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfa s THR 4 N 0.00 0.47 0.35 4.28 -4.23 -1.26 -5.13 115.64 110.12 2qfa s THR 4 Ca 0.00 -1.29 -0.26 0.00 -1.18 0.00 0.00 61.69 58.96 2qfa s THR 4 Cb 0.00 -0.85 -0.09 0.00 1.34 0.00 0.00 72.50 72.90 2qfa s THR 4 CO 0.00 -0.55 1.07 0.00 -0.54 0.00 0.00 174.62 174.60 2qfa s ALA 5 N -2.07 3.21 0.63 3.99 0.00 -1.26 -5.01 121.76 121.25 2qfa s ALA 5 Ca -0.05 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 2qfa s ALA 5 Cb -0.05 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2qfa s ALA 5 CO -0.02 -0.21 1.05 -2.30 0.00 0.00 0.00 175.76 174.28 2qfa n PRO 6 N 0.41 0.91 0.00 0.00 -0.02 -1.26 -4.77 135.00 130.27 2qfa n PRO 6 Ca 0.03 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2qfa n PRO 6 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2qfa n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qfa n GLY 7 N 1.19 2.70 0.24 -1.23 0.00 -1.26 -4.91 105.19 101.91 2qfa n GLY 7 Ca 0.15 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.38 2qfa n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qfa h PRO 8 N 0.00 0.00 -0.59 1.61 0.13 -2.05 -3.34 132.00 127.76 2qfa h PRO 8 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 2qfa h PRO 8 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2qfa h PRO 8 CO 0.00 0.05 0.40 0.97 -0.23 0.00 0.00 178.00 179.19 2qfa h ILE 9 N 0.00 0.95 0.00 -3.56 6.09 -1.92 -1.12 117.51 117.94 2qfa h ILE 9 Ca -0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2qfa h ILE 9 Cb 0.82 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.52 2qfa h ILE 9 CO 0.01 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.18 2qfa n HIS 10 N -4.48 0.75 -0.03 2.19 1.44 -1.25 -2.63 115.22 111.20 2qfa n HIS 10 Ca 0.09 0.38 0.09 0.00 -2.01 0.00 0.00 57.72 56.28 2qfa n HIS 10 Cb 0.30 -1.11 0.49 0.00 0.12 0.00 0.00 29.99 29.79 2qfa n HIS 10 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2qfa h LEU 11 N 0.00 0.37 0.43 2.39 3.38 -1.48 -0.67 115.31 119.73 2qfa h LEU 11 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qfa h LEU 11 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qfa h LEU 11 CO 0.00 0.24 -0.21 -0.07 0.09 0.00 0.00 178.44 178.49 2qfa h LEU 12 N 0.42 -0.49 -0.85 1.67 3.38 -1.74 -0.85 115.31 116.85 2qfa h LEU 12 Ca 0.22 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qfa h LEU 12 Cb 0.33 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2qfa h LEU 12 CO -0.06 -0.23 0.42 -0.08 0.09 0.00 0.00 178.44 178.58 2qfa h GLU 13 N -0.74 1.22 -0.29 1.13 4.81 -1.69 -1.80 114.58 117.22 2qfa h GLU 13 Ca -0.06 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2qfa h GLU 13 Cb 0.52 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2qfa h GLU 13 CO 0.10 0.93 -0.23 1.25 -0.73 0.00 0.00 179.01 180.33 2qfa h LEU 14 N 1.21 0.70 -0.85 1.64 5.85 -1.09 -0.33 115.31 122.45 2qfa h LEU 14 Ca 0.29 -0.45 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2qfa h LEU 14 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2qfa h LEU 14 CO -0.04 1.00 -0.28 0.00 -0.34 0.00 0.00 178.44 178.78 2qfa h ASP 16 N 0.46 1.02 -0.49 0.00 3.58 -1.14 -1.25 116.42 118.60 2qfa h ASP 16 Ca 0.06 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2qfa h ASP 16 Cb 0.73 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2qfa h ASP 16 CO 0.06 0.97 0.25 -0.61 -2.88 0.00 0.00 179.24 177.02 2qfa h GLN 17 N 1.03 0.70 -0.25 0.28 4.15 -0.65 -0.12 115.11 120.24 2qfa h GLN 17 Ca 0.22 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 2qfa h GLN 17 Cb 0.32 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2qfa h GLN 17 CO -0.00 0.57 -0.30 0.87 -1.93 0.00 0.00 178.83 178.04 2qfa h LYS 18 N 0.65 0.51 -0.30 1.69 1.57 -1.05 -0.28 116.57 119.37 2qfa h LYS 18 Ca 0.17 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2qfa h LYS 18 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2qfa h LYS 18 CO -0.02 0.76 0.04 1.25 -0.57 0.00 0.00 179.45 180.91 2qfa h LEU 19 N 0.45 0.48 -1.17 2.94 5.85 -1.00 -1.95 115.31 120.90 2qfa h LEU 19 Ca 0.06 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2qfa h LEU 19 Cb 0.74 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2qfa h LEU 19 CO 0.06 0.62 0.28 0.24 -0.34 0.00 0.00 178.44 179.30 2qfa h MET 20 N 0.31 0.86 -0.51 1.25 2.86 -0.55 -1.04 114.93 118.11 2qfa h MET 20 Ca 0.09 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2qfa h MET 20 Cb 0.35 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2qfa h MET 20 CO 0.01 0.67 0.17 0.93 1.06 0.00 0.00 176.91 179.75 2qfa h GLU 21 N 0.86 0.79 -0.31 1.72 5.08 -0.95 0.62 114.58 122.39 2qfa h GLU 21 Ca 0.21 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2qfa h GLU 21 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2qfa h GLU 21 CO -0.03 0.73 0.11 0.35 -1.00 0.00 0.00 179.01 179.17 2qfa h PHE 22 N 0.70 0.20 -0.35 4.33 3.57 -0.69 0.31 116.94 125.01 2qfa h PHE 22 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2qfa h PHE 22 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2qfa h PHE 22 CO 0.01 0.09 0.09 -0.07 -2.23 0.00 0.00 178.31 176.20 2qfa h LEU 23 N 0.25 0.53 -0.68 0.59 3.38 -0.93 -2.07 115.31 116.38 2qfa h LEU 23 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2qfa h LEU 23 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qfa h LEU 23 CO -0.14 0.61 0.31 0.00 0.09 0.00 0.00 178.44 179.31 2qfa h ASN 25 N 0.95 0.86 -0.58 0.00 -1.24 -0.77 0.16 115.58 114.96 2qfa h ASN 25 Ca 0.23 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 2qfa h ASN 25 Cb 0.14 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2qfa h ASN 25 CO -0.03 0.63 0.23 0.24 -1.29 0.00 0.00 177.43 177.21 2qfa h MET 26 N 1.01 0.86 -0.26 6.67 2.86 -0.91 -0.71 114.93 124.45 2qfa h MET 26 Ca 0.27 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2qfa h MET 26 Cb -0.11 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.36 2qfa h MET 26 CO -0.06 0.75 -0.09 -0.44 1.06 0.00 0.00 176.91 178.13 2qfa h ASP 27 N 0.80 -0.30 1.42 1.22 3.32 -0.62 -1.08 116.42 121.18 2qfa h ASP 27 Ca 0.19 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 2qfa h ASP 27 Cb 0.21 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2qfa h ASP 27 CO -0.02 -0.11 -0.39 0.78 -1.72 0.00 0.00 179.24 177.78 2qfa h ASN 28 N -0.03 0.00 0.00 6.45 -0.26 -0.71 -2.90 115.58 118.13 2qfa h ASN 28 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2qfa h ASN 28 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 2qfa h ASN 28 CO -0.29 0.39 0.00 0.29 -1.06 0.00 0.00 177.43 176.76 2qfa n LYS 29 N -3.25 0.00 -0.05 0.81 5.02 -0.30 -4.59 118.16 115.80 2qfa n LYS 29 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2qfa n LYS 29 Cb 0.65 -0.24 -0.07 0.00 -0.02 0.00 0.00 35.03 35.34 2qfa n LYS 29 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2qfa h ASP 30 N 0.00 0.37 -0.30 4.39 3.32 -1.49 -0.71 116.42 122.00 2qfa h ASP 30 Ca 0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 2qfa h ASP 30 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qfa h ASP 30 CO 0.00 0.77 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.90 2qfa h LEU 31 N -0.03 0.85 -0.77 1.55 3.38 -1.34 -2.16 115.31 116.79 2qfa h LEU 31 Ca 0.02 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2qfa h LEU 31 Cb 0.66 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2qfa h LEU 31 CO 0.03 1.10 0.26 0.58 0.09 0.00 0.00 178.44 180.50 2qfa h VAL 32 N 0.69 1.26 -0.85 1.22 2.07 -1.50 -2.09 116.25 117.04 2qfa h VAL 32 Ca 0.07 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2qfa h VAL 32 Cb 0.86 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2qfa h VAL 32 CO 0.08 0.35 0.55 -0.25 0.02 0.00 0.00 177.57 178.32 2qfa h TRP 33 N 1.13 1.04 -0.75 1.57 7.01 -0.85 -0.13 115.95 124.97 2qfa h TRP 33 Ca 0.25 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 2qfa h TRP 33 Cb 0.28 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 2qfa h TRP 33 CO 0.02 0.61 0.35 -0.07 -2.79 0.00 0.00 178.44 176.57 2qfa h LEU 34 N 1.09 0.98 -0.77 0.65 3.38 -0.96 0.63 115.31 120.32 2qfa h LEU 34 Ca 0.34 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2qfa h LEU 34 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2qfa h LEU 34 CO -0.11 0.83 0.33 1.05 0.09 0.00 0.00 178.44 180.64 2qfa h GLU 35 N 1.07 1.13 -0.34 1.13 4.11 -0.65 -2.03 114.58 119.00 2qfa h GLU 35 Ca 0.26 -0.19 -0.07 0.00 0.07 0.00 0.00 59.36 59.43 2qfa h GLU 35 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2qfa h GLU 35 CO -0.03 0.91 -0.07 0.93 0.07 0.00 0.00 179.01 180.82 2qfa h GLU 36 N 1.10 0.56 -0.44 1.06 5.08 -0.37 -1.80 114.58 119.78 2qfa h GLU 36 Ca 0.26 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2qfa h GLU 36 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qfa h GLU 36 CO -0.03 0.64 0.06 0.82 -1.00 0.00 0.00 179.01 179.50 2qfa h ILE 37 N 0.53 1.25 -0.63 3.13 1.08 -0.48 -0.16 117.51 122.21 2qfa h ILE 37 Ca 0.10 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 2qfa h ILE 37 Cb 0.44 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 2qfa h ILE 37 CO 0.02 0.32 0.35 -0.61 -0.69 0.00 0.00 178.15 177.54 2qfa h GLN 38 N 0.59 0.88 -0.87 2.37 4.15 -0.99 -0.38 115.11 120.85 2qfa h GLN 38 Ca 0.13 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2qfa h GLN 38 Cb 0.40 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 2qfa h GLN 38 CO 0.01 0.66 0.55 1.49 -1.93 0.00 0.00 178.83 179.61 2qfa h GLU 39 N 0.86 1.16 -0.66 1.69 4.81 -1.13 -1.03 114.58 120.29 2qfa h GLU 39 Ca 0.22 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2qfa h GLU 39 Cb 0.03 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 2qfa h GLU 39 CO -0.04 0.79 0.19 1.49 -0.73 0.00 0.00 179.01 180.72 2qfa h GLU 40 N 1.19 1.03 -0.41 1.92 4.57 -0.51 -1.72 114.58 120.65 2qfa h GLU 40 Ca 0.32 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 2qfa h GLU 40 Cb -0.09 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 2qfa h GLU 40 CO -0.06 0.91 -0.04 0.00 -1.18 0.00 0.00 179.01 178.64 2qfa h ALA 41 N 1.08 1.16 -0.70 2.92 0.00 -0.62 -0.14 119.26 122.96 2qfa h ALA 41 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qfa h ALA 41 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2qfa h ALA 41 CO -0.00 0.54 0.41 0.93 0.00 0.00 0.00 179.25 181.12 2qfa h GLU 42 N 0.64 0.95 -0.39 0.00 5.08 -0.79 -0.55 114.58 119.51 2qfa h GLU 42 Ca 0.12 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2qfa h GLU 42 Cb 0.45 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2qfa h GLU 42 CO 0.02 0.69 0.09 -0.09 -1.00 0.00 0.00 179.01 178.71 2qfa h ARG 43 N 0.95 0.63 -0.14 2.33 2.43 -0.80 0.17 114.38 119.96 2qfa h ARG 43 Ca 0.25 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2qfa h ARG 43 Cb -0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2qfa h ARG 43 CO -0.04 0.66 -0.40 1.98 -1.51 0.00 0.00 179.97 180.66 2qfa h MET 44 N 0.49 0.31 0.00 0.20 4.05 -0.76 -3.37 114.93 115.84 2qfa h MET 44 Ca 0.12 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2qfa h MET 44 Cb 0.32 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2qfa h MET 44 CO 0.00 0.66 -1.03 1.19 0.23 0.00 0.00 176.91 177.96 2qfa n PHE 45 N -4.03 0.00 -3.84 1.39 3.72 -0.24 -5.05 117.46 109.41 2qfa n PHE 45 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 2qfa n PHE 45 Cb 0.48 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2qfa n PHE 45 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qfa s THR 46 N -2.14 1.72 -2.83 4.37 -4.23 0.05 -5.06 115.64 107.52 2qfa s THR 46 Ca -0.01 -1.47 0.25 0.00 -1.18 0.00 0.00 61.69 59.29 2qfa s THR 46 Cb 0.03 -2.19 0.31 0.00 1.34 0.00 0.00 72.50 71.99 2qfa s THR 46 CO 0.16 0.00 1.43 0.54 -0.54 0.00 0.00 174.62 176.21