#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r48 s GLY 2 N 0.00 -0.49 -0.44 0.00 0.00 -1.26 -5.10 107.32 100.03 1r48 s GLY 2 Ca 0.00 1.73 0.02 0.00 0.00 0.00 0.00 44.72 46.48 1r48 s GLY 2 CO 0.00 1.47 0.21 -0.32 0.00 0.00 0.00 173.10 174.46 1r48 s GLY 3 N 0.10 1.81 -1.06 0.20 0.00 -1.26 -4.78 107.32 102.33 1r48 s GLY 3 Ca -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.05 1r48 s GLY 3 CO 0.02 1.38 0.00 1.22 0.00 0.00 0.00 173.10 175.72 1r48 n ASP 4 N 3.63 -5.21 0.14 1.64 9.92 -1.26 -4.82 116.55 120.59 1r48 n ASP 4 Ca 0.06 0.25 0.19 0.00 -0.53 0.00 0.00 54.79 54.76 1r48 n ASP 4 Cb 0.35 -3.59 0.78 0.00 -0.64 0.00 0.00 41.12 38.02 1r48 n ASP 4 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1r48 h ASN 5 N 0.00 0.00 0.09 -2.24 -0.00 -1.99 -0.09 115.58 111.35 1r48 h ASN 5 Ca -0.21 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 55.95 1r48 h ASN 5 Cb 0.99 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.32 1r48 h ASN 5 CO 0.30 0.00 -0.60 0.40 -0.00 0.00 0.00 177.43 177.53 1r48 h ILE 6 N 0.00 1.55 -0.25 2.57 2.04 -1.98 -3.10 117.51 118.34 1r48 h ILE 6 Ca 0.14 -2.40 0.07 0.00 1.00 0.00 0.00 64.86 63.68 1r48 h ILE 6 Cb 0.77 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1r48 h ILE 6 CO -0.00 0.67 0.25 -0.08 0.00 0.00 0.00 178.15 178.98 1r48 h GLU 7 N -0.45 0.00 0.11 2.37 4.81 -1.42 0.21 114.58 120.20 1r48 h GLU 7 Ca -0.10 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.84 1r48 h GLU 7 Cb 1.44 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.84 1r48 h GLU 7 CO 0.11 0.00 -1.22 0.37 -0.73 0.00 0.00 179.01 177.55 1r48 h GLN 8 N 0.00 0.55 -0.92 1.92 4.15 -1.40 -2.94 115.11 116.47 1r48 h GLN 8 Ca 0.12 -0.75 0.02 0.00 0.77 0.00 0.00 58.65 58.81 1r48 h GLN 8 Cb 0.61 0.25 -0.05 0.00 0.21 0.00 0.00 27.48 28.50 1r48 h GLN 8 CO -0.00 1.33 0.61 -0.22 -1.93 0.00 0.00 178.83 178.62 1r48 h LYS 9 N 0.24 1.19 -0.25 1.69 3.64 -0.89 -2.58 116.57 119.61 1r48 h LYS 9 Ca -0.17 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1r48 h LYS 9 Cb 1.89 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1r48 h LYS 9 CO 0.23 0.79 -0.28 -0.84 -2.27 0.00 0.00 179.45 177.07 1r48 h ILE 10 N 1.23 1.31 -1.11 2.00 3.07 -1.48 -2.93 117.51 119.61 1r48 h ILE 10 Ca 0.35 -1.46 0.30 0.00 1.55 0.00 0.00 64.86 65.60 1r48 h ILE 10 Cb -0.10 1.67 -0.09 0.00 -0.27 0.00 0.00 36.82 38.03 1r48 h ILE 10 CO -0.08 0.46 0.73 -0.78 -1.05 0.00 0.00 178.15 177.43 1r48 h ASP 11 N 0.36 0.32 -0.02 2.16 1.82 -1.27 0.54 116.42 120.32 1r48 h ASP 11 Ca 0.04 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1r48 h ASP 11 Cb 0.85 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 1r48 h ASP 11 CO 0.07 0.03 -0.01 0.44 -1.61 0.00 0.00 179.24 178.17 1r48 h ASP 12 N 0.27 0.05 -0.25 2.28 5.19 -1.36 -2.93 116.42 119.66 1r48 h ASP 12 Ca 0.61 -0.38 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1r48 h ASP 12 Cb 1.81 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.29 1r48 h ASP 12 CO -0.24 0.41 0.14 0.40 -3.12 0.00 0.00 179.24 176.83 1r48 h ILE 13 N -0.32 1.03 -1.11 0.35 2.04 -0.07 -1.80 117.51 117.63 1r48 h ILE 13 Ca 0.01 -0.10 0.31 0.00 1.00 0.00 0.00 64.86 66.07 1r48 h ILE 13 Cb 0.39 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1r48 h ILE 13 CO 0.00 0.05 0.76 -0.78 0.00 0.00 0.00 178.15 178.19 1r48 h ASP 14 N 0.30 0.19 0.87 1.72 3.58 -0.19 1.31 116.42 124.20 1r48 h ASP 14 Ca 0.10 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1r48 h ASP 14 Cb -0.00 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1r48 h ASP 14 CO -0.05 0.03 -0.64 -0.74 -2.88 0.00 0.00 179.24 174.96 1r48 h HIS 15 N 0.16 0.00 0.10 0.28 2.76 -1.14 -2.94 115.15 114.37 1r48 h HIS 15 Ca 0.57 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.44 1r48 h HIS 15 Cb 1.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.87 1r48 h HIS 15 CO -0.00 0.64 -1.55 0.93 -1.30 0.00 0.00 177.93 176.65 1r48 h GLU 16 N 0.00 0.21 -0.24 5.26 5.08 0.16 -2.99 114.58 122.06 1r48 h GLU 16 Ca -0.01 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1r48 h GLU 16 Cb 1.25 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1r48 h GLU 16 CO 0.08 1.04 -0.02 0.82 -1.00 0.00 0.00 179.01 179.94 1r48 h ILE 17 N 0.06 1.16 0.20 3.13 2.04 0.09 -2.72 117.51 121.47 1r48 h ILE 17 Ca -0.25 -0.65 -0.31 0.00 1.00 0.00 0.00 64.86 64.65 1r48 h ILE 17 Cb 2.00 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1r48 h ILE 17 CO 0.15 0.22 -1.40 0.00 0.00 0.00 0.00 178.15 177.11 1r48 h ALA 18 N 1.63 -0.03 -0.82 1.87 0.00 -1.62 -3.09 119.26 117.20 1r48 h ALA 18 Ca 0.08 -0.90 0.12 0.00 0.00 0.00 0.00 54.91 54.21 1r48 h ALA 18 Cb 0.27 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1r48 h ALA 18 CO 0.01 0.84 0.44 -0.44 0.00 0.00 0.00 179.25 180.10 1r48 h ASP 19 N 0.11 0.57 0.03 0.00 5.19 -1.33 -1.21 116.42 119.79 1r48 h ASP 19 Ca -0.21 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1r48 h ASP 19 Cb 2.08 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.56 1r48 h ASP 19 CO 0.24 0.29 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.57 1r48 h LEU 20 N 0.68 -0.03 -0.84 1.55 3.38 -1.61 -2.96 115.31 115.47 1r48 h LEU 20 Ca 0.42 -0.50 0.19 0.00 0.09 0.00 0.00 57.88 58.08 1r48 h LEU 20 Cb 0.50 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1r48 h LEU 20 CO -0.30 0.50 0.33 -0.61 0.09 0.00 0.00 178.44 178.44 1r48 h GLN 21 N -0.57 0.38 -0.72 1.13 -0.00 -1.36 0.21 115.11 114.17 1r48 h GLN 21 Ca -0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.58 1r48 h GLN 21 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.89 1r48 h GLN 21 CO 0.01 0.25 0.26 0.00 0.00 0.00 0.00 178.83 179.35 1r48 h ALA 22 N 1.66 1.11 -0.51 3.38 0.00 -1.26 -2.09 119.26 121.57 1r48 h ALA 22 Ca 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1r48 h ALA 22 Cb 0.91 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1r48 h ALA 22 CO -0.51 0.62 0.32 0.87 0.00 0.00 0.00 179.25 180.55 1r48 h LYS 23 N 1.04 0.67 -0.10 0.00 6.56 -0.44 -0.83 116.57 123.48 1r48 h LYS 23 Ca 0.24 -0.05 -0.14 0.00 -1.06 0.00 0.00 60.65 59.64 1r48 h LYS 23 Cb 0.23 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1r48 h LYS 23 CO -0.02 0.46 -0.48 0.00 -2.06 0.00 0.00 179.45 177.36 1r48 h ARG 24 N 0.69 0.50 0.58 3.15 3.08 -0.85 -2.95 114.38 118.58 1r48 h ARG 24 Ca 0.18 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1r48 h ARG 24 Cb -0.05 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1r48 h ARG 24 CO -0.04 1.03 -0.28 1.15 -1.07 0.00 0.00 179.97 180.77 1r48 h THR 25 N 0.09 0.37 -0.97 2.04 2.02 -1.03 -1.33 112.91 114.11 1r48 h THR 25 Ca -0.03 -0.22 0.20 0.00 0.77 0.00 0.00 66.41 67.13 1r48 h THR 25 Cb 1.12 0.46 -0.11 0.00 -1.74 0.00 0.00 68.15 67.87 1r48 h THR 25 CO 0.10 0.03 0.56 0.08 0.37 0.00 0.00 175.52 176.66 1r48 h ARG 26 N -0.93 0.63 -0.54 6.66 0.11 -1.29 0.54 114.38 119.57 1r48 h ARG 26 Ca -0.08 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 1r48 h ARG 26 Cb 0.64 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1r48 h ARG 26 CO 0.13 0.42 0.07 -0.07 0.10 0.00 0.00 179.97 180.62 1r48 h LEU 27 N 0.65 0.83 -0.46 0.08 4.07 -1.35 -2.62 115.31 116.51 1r48 h LEU 27 Ca 0.58 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.34 1r48 h LEU 27 Cb 0.97 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 1r48 h LEU 27 CO -0.42 0.86 0.23 0.58 -1.08 0.00 0.00 178.44 178.60 1r48 h VAL 28 N 0.83 1.18 -0.81 1.22 2.07 0.12 -1.39 116.25 119.48 1r48 h VAL 28 Ca 0.17 -0.51 0.21 0.00 0.82 0.00 0.00 66.70 67.39 1r48 h VAL 28 Cb 0.40 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1r48 h VAL 28 CO 0.01 0.20 0.56 1.56 0.02 0.00 0.00 177.57 179.92 1r48 h GLN 29 N 0.60 0.13 -0.01 1.57 7.50 -0.69 0.95 115.11 125.15 1r48 h GLN 29 Ca 0.16 -0.01 -0.13 0.00 0.50 0.00 0.00 58.65 59.17 1r48 h GLN 29 Cb 0.11 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1r48 h GLN 29 CO -0.02 0.08 -0.61 0.37 -1.50 0.00 0.00 178.83 177.16 1r48 h GLN 30 N 0.13 0.05 -1.76 1.46 4.15 -1.07 -3.37 115.11 114.70 1r48 h GLN 30 Ca 0.39 -0.03 -0.51 0.00 0.77 0.00 0.00 58.65 59.28 1r48 h GLN 30 Cb 1.36 0.01 -0.36 0.00 0.21 0.00 0.00 27.48 28.69 1r48 h GLN 30 CO -0.06 0.64 -1.05 -2.39 -1.93 0.00 0.00 178.83 174.04 1r48 n HIS 31 N -3.83 -0.61 0.15 3.99 1.44 0.28 -4.95 115.22 111.69 1r48 n HIS 31 Ca -0.01 -3.40 0.01 0.00 -2.01 0.00 0.00 57.72 52.30 1r48 n HIS 31 Cb 0.61 -0.14 0.19 0.00 0.12 0.00 0.00 29.99 30.77 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 3.80 0.00 -0.00 -1.40 0.13 -0.44 -3.45 132.00 130.64 1r48 h PRO 32 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1r48 h PRO 32 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1r48 h PRO 32 CO 0.45 0.57 0.00 0.54 -0.23 0.00 0.00 178.00 179.32