#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r48 n GLY 2 N 0.00 2.80 5.57 0.00 0.00 -1.26 -4.86 105.19 107.44 1r48 n GLY 2 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1r48 n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r48 n GLY 3 N 0.00 1.77 0.16 -0.02 0.00 -1.26 -2.44 105.19 103.40 1r48 n GLY 3 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1r48 n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r48 n ASP 4 N 3.67 0.26 -0.06 1.61 8.00 -1.26 -4.83 116.55 123.94 1r48 n ASP 4 Ca 0.00 -1.49 0.25 0.00 0.71 0.00 0.00 54.79 54.25 1r48 n ASP 4 Cb 0.00 -0.08 0.72 0.00 -0.02 0.00 0.00 41.12 41.74 1r48 n ASP 4 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1r48 h ASN 5 N 0.00 0.00 0.11 -2.24 -0.00 -1.83 0.14 115.58 111.75 1r48 h ASN 5 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 56.08 1r48 h ASN 5 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 1r48 h ASN 5 CO 0.00 0.00 -1.08 0.40 -0.00 0.00 0.00 177.43 176.75 1r48 h ILE 6 N 0.00 1.26 -0.42 2.57 2.04 -1.88 -3.18 117.51 117.90 1r48 h ILE 6 Ca 0.32 -2.44 0.12 0.00 1.00 0.00 0.00 64.86 63.87 1r48 h ILE 6 Cb 1.42 2.92 -0.02 0.00 -0.74 0.00 0.00 36.82 40.40 1r48 h ILE 6 CO -0.00 0.68 0.34 -0.08 0.00 0.00 0.00 178.15 179.09 1r48 h GLU 7 N -0.42 0.00 0.05 2.37 4.81 -1.15 0.28 114.58 120.53 1r48 h GLU 7 Ca -0.23 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.77 1r48 h GLU 7 Cb 1.64 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.04 1r48 h GLU 7 CO 0.07 0.00 -0.94 0.37 -0.73 0.00 0.00 179.01 177.79 1r48 h GLN 8 N 0.00 0.54 -0.76 1.92 4.15 -1.15 -2.37 115.11 117.44 1r48 h GLN 8 Ca 0.20 -0.65 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 1r48 h GLN 8 Cb 0.88 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1r48 h GLN 8 CO -0.00 1.26 0.35 0.87 -1.93 0.00 0.00 178.83 179.38 1r48 h LYS 9 N 0.11 1.10 -0.21 1.69 1.57 -0.99 -2.84 116.57 117.00 1r48 h LYS 9 Ca -0.13 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.36 1r48 h LYS 9 Cb 1.64 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 1r48 h LYS 9 CO 0.18 0.86 -0.32 -0.84 -0.57 0.00 0.00 179.45 178.76 1r48 h ILE 10 N 1.09 1.33 -1.02 1.86 3.07 -1.20 -2.95 117.51 119.68 1r48 h ILE 10 Ca 0.26 -1.53 0.27 0.00 1.55 0.00 0.00 64.86 65.41 1r48 h ILE 10 Cb 0.14 1.81 -0.07 0.00 -0.27 0.00 0.00 36.82 38.42 1r48 h ILE 10 CO -0.03 0.48 0.69 -0.78 -1.05 0.00 0.00 178.15 177.45 1r48 h ASP 11 N 0.28 0.29 -0.14 2.16 1.82 -1.19 0.65 116.42 120.28 1r48 h ASP 11 Ca 0.02 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1r48 h ASP 11 Cb 0.91 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 1r48 h ASP 11 CO 0.07 0.07 -0.01 -0.78 -1.61 0.00 0.00 179.24 176.98 1r48 h ASP 12 N 0.26 0.26 -0.31 2.28 3.58 -1.35 -2.89 116.42 118.25 1r48 h ASP 12 Ca 0.54 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1r48 h ASP 12 Cb 1.62 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.59 1r48 h ASP 12 CO -0.18 0.53 0.20 0.40 -2.88 0.00 0.00 179.24 177.31 1r48 h ILE 13 N -0.02 1.07 -1.11 2.25 2.04 0.20 -1.78 117.51 120.16 1r48 h ILE 13 Ca 0.04 -0.14 0.31 0.00 1.00 0.00 0.00 64.86 66.07 1r48 h ILE 13 Cb 0.41 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1r48 h ILE 13 CO 0.01 0.07 0.76 -0.78 0.00 0.00 0.00 178.15 178.22 1r48 h ASP 14 N 0.40 0.17 0.86 1.72 3.58 -0.22 1.34 116.42 124.28 1r48 h ASP 14 Ca 0.11 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 1r48 h ASP 14 Cb -0.04 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1r48 h ASP 14 CO -0.03 0.03 -0.68 -0.74 -2.88 0.00 0.00 179.24 174.94 1r48 h HIS 15 N 0.15 0.00 0.08 0.28 2.76 -1.12 -2.94 115.15 114.37 1r48 h HIS 15 Ca 0.57 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.44 1r48 h HIS 15 Cb 1.93 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.87 1r48 h HIS 15 CO -0.00 0.68 -1.51 0.93 -1.30 0.00 0.00 177.93 176.72 1r48 h GLU 16 N 0.00 0.18 -0.23 5.26 5.08 0.17 -3.00 114.58 122.03 1r48 h GLU 16 Ca -0.01 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1r48 h GLU 16 Cb 1.30 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1r48 h GLU 16 CO 0.09 1.00 -0.09 0.82 -1.00 0.00 0.00 179.01 179.83 1r48 h ILE 17 N 0.05 1.20 0.19 3.13 2.04 0.11 -2.83 117.51 121.38 1r48 h ILE 17 Ca -0.23 -0.84 -0.31 0.00 1.00 0.00 0.00 64.86 64.48 1r48 h ILE 17 Cb 1.98 1.13 0.03 0.00 -0.74 0.00 0.00 36.82 39.22 1r48 h ILE 17 CO 0.14 0.27 -1.35 0.00 0.00 0.00 0.00 178.15 177.21 1r48 h ALA 18 N 1.55 -0.04 -0.68 1.87 0.00 -1.62 -3.09 119.26 117.26 1r48 h ALA 18 Ca 0.07 -0.84 0.09 0.00 0.00 0.00 0.00 54.91 54.23 1r48 h ALA 18 Cb 0.39 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1r48 h ALA 18 CO 0.02 0.78 0.31 0.22 0.00 0.00 0.00 179.25 180.58 1r48 h ASP 19 N 0.16 0.38 0.12 0.00 3.58 -1.35 -0.97 116.42 118.33 1r48 h ASP 19 Ca -0.20 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1r48 h ASP 19 Cb 2.05 0.01 0.00 0.00 1.72 0.00 0.00 39.33 43.11 1r48 h ASP 19 CO 0.25 0.22 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.69 1r48 h LEU 20 N 0.53 -0.14 -1.61 2.28 3.38 -1.61 -2.85 115.31 115.30 1r48 h LEU 20 Ca 0.34 -0.29 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1r48 h LEU 20 Cb 0.38 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1r48 h LEU 20 CO -0.28 0.23 0.61 -0.61 0.09 0.00 0.00 178.44 178.48 1r48 h GLN 21 N -0.52 0.30 -0.13 1.13 4.15 -1.38 0.23 115.11 118.89 1r48 h GLN 21 Ca -0.02 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1r48 h GLN 21 Cb 0.42 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1r48 h GLN 21 CO 0.03 0.20 -0.52 0.00 -1.93 0.00 0.00 178.83 176.60 1r48 h ALA 22 N 1.60 0.87 -0.16 3.38 0.00 -1.07 -2.74 119.26 121.13 1r48 h ALA 22 Ca 0.46 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1r48 h ALA 22 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1r48 h ALA 22 CO -0.15 0.68 -0.35 0.87 0.00 0.00 0.00 179.25 180.30 1r48 h LYS 23 N 0.28 0.34 -0.08 0.00 6.56 -0.32 -2.27 116.57 121.08 1r48 h LYS 23 Ca 0.01 -0.15 -0.06 0.00 -1.06 0.00 0.00 60.65 59.39 1r48 h LYS 23 Cb 1.02 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1r48 h LYS 23 CO 0.09 0.65 -0.18 0.00 -2.06 0.00 0.00 179.45 177.95 1r48 h ARG 24 N 0.29 0.26 0.53 3.15 3.08 -1.30 -2.81 114.38 117.58 1r48 h ARG 24 Ca 0.03 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1r48 h ARG 24 Cb 0.76 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1r48 h ARG 24 CO 0.06 0.77 -0.26 1.15 -1.07 0.00 0.00 179.97 180.63 1r48 h THR 25 N -0.21 0.47 -0.81 2.04 2.02 -1.47 -0.87 112.91 114.07 1r48 h THR 25 Ca 0.00 -0.10 0.17 0.00 0.77 0.00 0.00 66.41 67.25 1r48 h THR 25 Cb 0.77 0.51 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 1r48 h THR 25 CO 0.04 0.02 0.33 0.08 0.37 0.00 0.00 175.52 176.36 1r48 h ARG 26 N -0.77 0.43 -0.53 6.66 -0.00 -1.52 0.45 114.38 119.09 1r48 h ARG 26 Ca -0.07 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.98 59.84 1r48 h ARG 26 Cb 0.57 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.42 1r48 h ARG 26 CO 0.12 0.28 0.14 -0.07 -0.00 0.00 0.00 179.97 180.44 1r48 h LEU 27 N 0.44 0.74 -0.47 0.08 3.38 -1.28 -2.46 115.31 115.74 1r48 h LEU 27 Ca 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1r48 h LEU 27 Cb 0.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1r48 h LEU 27 CO -0.45 0.72 0.21 0.58 0.09 0.00 0.00 178.44 179.59 1r48 h VAL 28 N 0.77 1.20 -0.86 1.22 2.07 0.13 -1.48 116.25 119.30 1r48 h VAL 28 Ca 0.17 -0.58 0.21 0.00 0.82 0.00 0.00 66.70 67.32 1r48 h VAL 28 Cb 0.26 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1r48 h VAL 28 CO -0.00 0.22 0.58 1.56 0.02 0.00 0.00 177.57 179.95 1r48 h GLN 29 N 0.62 0.26 -0.08 1.57 4.20 -0.60 0.94 115.11 122.01 1r48 h GLN 29 Ca 0.16 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 1r48 h GLN 29 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1r48 h GLN 29 CO -0.02 0.17 -0.42 0.37 -0.67 0.00 0.00 178.83 178.27 1r48 h GLN 30 N 0.27 0.18 -2.15 1.46 4.15 -1.08 -3.36 115.11 114.59 1r48 h GLN 30 Ca 0.43 -0.09 -0.57 0.00 0.77 0.00 0.00 58.65 59.20 1r48 h GLN 30 Cb 1.28 -0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.58 1r48 h GLN 30 CO -0.12 0.57 -1.05 -2.39 -1.93 0.00 0.00 178.83 173.92 1r48 n HIS 31 N -4.03 -0.50 0.20 3.99 1.44 0.30 -4.95 115.22 111.67 1r48 n HIS 31 Ca -0.02 -3.48 0.05 0.00 -2.01 0.00 0.00 57.72 52.27 1r48 n HIS 31 Cb 0.47 -0.12 0.40 0.00 0.12 0.00 0.00 29.99 30.87 1r48 n HIS 31 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1r48 h PRO 32 N 4.64 0.00 -0.01 -1.40 0.13 -1.09 -3.44 132.00 130.83 1r48 h PRO 32 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1r48 h PRO 32 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1r48 h PRO 32 CO 0.43 0.34 0.00 0.54 -0.23 0.00 0.00 178.00 179.09