#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 0.64 4.40 0.00 0.00 -1.26 -5.07 105.19 103.90 1r48 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.03 1.04 -0.02 0.00 -1.26 -3.65 105.19 102.32 1r48 n GLY 3 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 4.91 3.00 -0.02 1.61 9.92 -1.26 -4.29 116.55 130.42 1r48 n ASP 4 Ca 0.00 -2.19 0.23 0.00 -0.53 0.00 0.00 54.79 52.30 1r48 n ASP 4 Cb 0.00 -0.41 0.72 0.00 -0.64 0.00 0.00 41.12 40.79 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 2.69 0.00 0.11 -2.24 -0.00 -1.98 0.14 115.58 114.30 1r48 h ASN 5 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 1r48 h ASN 5 Cb 0.89 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.23 1r48 h ASN 5 CO 0.10 0.00 -0.76 0.40 -0.00 0.00 0.00 177.43 177.17 1r48 h ILE 6 N 0.00 1.50 -0.41 2.57 2.04 -1.90 -2.92 117.51 118.39 1r48 h ILE 6 Ca 0.28 -2.45 0.10 0.00 1.00 0.00 0.00 64.86 63.80 1r48 h ILE 6 Cb 1.26 3.09 -0.02 0.00 -0.74 0.00 0.00 36.82 40.42 1r48 h ILE 6 CO -0.00 0.70 0.29 -0.08 0.00 0.00 0.00 178.15 179.05 1r48 h GLU 7 N -0.33 0.08 0.09 2.37 4.81 -1.07 -0.23 114.58 120.31 1r48 h GLU 7 Ca -0.13 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.82 1r48 h GLU 7 Cb 1.57 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.96 1r48 h GLU 7 CO 0.14 0.05 -1.14 0.37 -0.73 0.00 0.00 179.01 177.70 1r48 h GLN 8 N 0.08 0.61 -0.61 1.92 5.75 -1.28 -2.69 115.11 118.90 1r48 h GLN 8 Ca 0.19 -0.78 -0.03 0.00 -0.15 0.00 0.00 58.65 57.88 1r48 h GLN 8 Cb 0.67 0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 1r48 h GLN 8 CO -0.02 1.35 0.24 -0.22 -2.65 0.00 0.00 178.83 177.53 1r48 h LYS 9 N 0.24 0.89 -0.20 1.69 3.64 -0.97 -2.83 116.57 119.02 1r48 h LYS 9 Ca -0.17 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1r48 h LYS 9 Cb 1.82 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1r48 h LYS 9 CO 0.22 0.73 -0.32 -0.84 -2.27 0.00 0.00 179.45 176.97 1r48 h ILE 10 N 0.87 1.33 -0.98 2.00 3.07 -1.15 -2.98 117.51 119.67 1r48 h ILE 10 Ca 0.21 -1.54 0.25 0.00 1.55 0.00 0.00 64.86 65.32 1r48 h ILE 10 Cb 0.18 1.84 -0.07 0.00 -0.27 0.00 0.00 36.82 38.50 1r48 h ILE 10 CO -0.02 0.47 0.66 -0.78 -1.05 0.00 0.00 178.15 177.43 1r48 h ASP 11 N 0.24 0.33 -0.21 2.16 3.58 -1.24 0.55 116.42 121.83 1r48 h ASP 11 Ca 0.02 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 1r48 h ASP 11 Cb 0.91 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1r48 h ASP 11 CO 0.07 0.10 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.72 1r48 h ASP 12 N 0.31 0.38 -0.29 2.28 3.58 -1.38 -2.92 116.42 118.40 1r48 h ASP 12 Ca 0.52 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1r48 h ASP 12 Cb 1.48 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 1r48 h ASP 12 CO -0.18 0.63 0.17 0.40 -2.88 0.00 0.00 179.24 177.38 1r48 h ILE 13 N 0.13 1.10 -1.10 2.25 2.04 -0.01 -1.91 117.51 120.01 1r48 h ILE 13 Ca 0.06 -0.25 0.31 0.00 1.00 0.00 0.00 64.86 65.98 1r48 h ILE 13 Cb 0.45 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1r48 h ILE 13 CO 0.02 0.10 0.77 -0.78 0.00 0.00 0.00 178.15 178.26 1r48 h ASP 14 N 0.36 0.12 0.90 1.72 3.58 -0.26 1.35 116.42 124.20 1r48 h ASP 14 Ca 0.10 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 1r48 h ASP 14 Cb 0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1r48 h ASP 14 CO -0.02 0.02 -0.70 -0.74 -2.88 0.00 0.00 179.24 174.93 1r48 h HIS 15 N 0.11 0.00 0.09 0.28 2.76 -1.16 -2.93 115.15 114.30 1r48 h HIS 15 Ca 0.55 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.43 1r48 h HIS 15 Cb 1.98 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.92 1r48 h HIS 15 CO -0.00 0.70 -1.52 0.93 -1.30 0.00 0.00 177.93 176.74 1r48 h GLU 16 N 0.00 0.18 -0.22 5.26 5.08 0.17 -2.97 114.58 122.08 1r48 h GLU 16 Ca -0.01 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1r48 h GLU 16 Cb 1.34 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1r48 h GLU 16 CO 0.09 1.01 -0.12 0.82 -1.00 0.00 0.00 179.01 179.82 1r48 h ILE 17 N 0.05 1.20 0.18 3.13 2.04 0.05 -2.83 117.51 121.32 1r48 h ILE 17 Ca -0.23 -0.88 -0.30 0.00 1.00 0.00 0.00 64.86 64.45 1r48 h ILE 17 Cb 1.99 1.17 0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1r48 h ILE 17 CO 0.14 0.28 -1.33 0.00 0.00 0.00 0.00 178.15 177.24 1r48 h ALA 18 N 1.55 -0.00 -0.68 1.87 0.00 -1.62 -3.09 119.26 117.29 1r48 h ALA 18 Ca 0.07 -0.87 0.10 0.00 0.00 0.00 0.00 54.91 54.21 1r48 h ALA 18 Cb 0.42 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1r48 h ALA 18 CO 0.02 0.85 0.29 0.22 0.00 0.00 0.00 179.25 180.64 1r48 h ASP 19 N 0.11 0.33 0.02 0.00 1.82 -1.33 -0.60 116.42 116.77 1r48 h ASP 19 Ca -0.18 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1r48 h ASP 19 Cb 2.04 0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.08 1r48 h ASP 19 CO 0.23 0.18 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.97 1r48 h LEU 20 N 0.49 -0.02 -1.94 2.28 3.38 -1.62 -2.83 115.31 115.05 1r48 h LEU 20 Ca 0.34 -0.40 0.21 0.00 0.09 0.00 0.00 57.88 58.13 1r48 h LEU 20 Cb 0.42 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1r48 h LEU 20 CO -0.31 0.39 0.54 -0.61 0.09 0.00 0.00 178.44 178.55 1r48 h GLN 21 N -0.44 0.05 -0.03 1.13 4.15 -1.35 0.30 115.11 118.92 1r48 h GLN 21 Ca -0.00 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.23 1r48 h GLN 21 Cb 0.42 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1r48 h GLN 21 CO 0.00 0.03 -0.78 0.00 -1.93 0.00 0.00 178.83 176.16 1r48 h ALA 22 N 1.63 0.63 -0.05 3.38 0.00 -0.97 -2.85 119.26 121.02 1r48 h ALA 22 Ca 0.37 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1r48 h ALA 22 Cb 1.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1r48 h ALA 22 CO -0.02 0.84 -0.41 0.87 0.00 0.00 0.00 179.25 180.53 1r48 h LYS 23 N 0.15 0.12 -0.04 0.00 1.57 -0.18 -2.15 116.57 116.05 1r48 h LYS 23 Ca -0.03 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1r48 h LYS 23 Cb 1.36 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1r48 h LYS 23 CO 0.12 0.51 -0.26 0.00 -0.57 0.00 0.00 179.45 179.25 1r48 h ARG 24 N 0.10 0.25 0.40 3.15 3.08 -1.36 -2.94 114.38 117.06 1r48 h ARG 24 Ca 0.01 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1r48 h ARG 24 Cb 0.77 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1r48 h ARG 24 CO 0.06 0.88 -0.19 1.15 -1.07 0.00 0.00 179.97 180.80 1r48 h THR 25 N -0.32 0.61 -0.72 2.04 2.02 -1.47 -1.34 112.91 113.73 1r48 h THR 25 Ca -0.02 -0.10 0.14 0.00 0.77 0.00 0.00 66.41 67.20 1r48 h THR 25 Cb 0.94 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 1r48 h THR 25 CO 0.05 0.02 0.24 0.08 0.37 0.00 0.00 175.52 176.28 1r48 h ARG 26 N -0.59 0.35 -0.67 6.66 -0.00 -1.51 0.39 114.38 119.01 1r48 h ARG 26 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1r48 h ARG 26 Cb 0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.97 30.30 1r48 h ARG 26 CO 0.09 0.23 0.37 -0.07 -0.00 0.00 0.00 179.97 180.59 1r48 h LEU 27 N 0.36 0.81 -0.46 0.08 4.07 -1.32 -2.16 115.31 116.70 1r48 h LEU 27 Ca 0.40 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.27 1r48 h LEU 27 Cb 0.63 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1r48 h LEU 27 CO -0.44 0.65 0.18 0.58 -1.08 0.00 0.00 178.44 178.33 1r48 h VAL 28 N 0.93 1.21 -0.84 1.22 2.07 0.86 -1.77 116.25 119.92 1r48 h VAL 28 Ca 0.24 -0.65 0.23 0.00 0.82 0.00 0.00 66.70 67.34 1r48 h VAL 28 Cb 0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1r48 h VAL 28 CO -0.04 0.24 0.59 1.56 0.02 0.00 0.00 177.57 179.94 1r48 h GLN 29 N 0.60 0.08 0.00 1.57 4.20 -0.36 1.02 115.11 122.22 1r48 h GLN 29 Ca 0.15 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 1r48 h GLN 29 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1r48 h GLN 29 CO -0.01 0.06 -0.76 1.96 -0.67 0.00 0.00 178.83 179.41 1r48 h GLN 30 N 0.09 0.00 -1.82 1.46 4.20 -1.14 -3.37 115.11 114.53 1r48 h GLN 30 Ca 0.41 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.64 1r48 h GLN 30 Cb 1.49 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.89 1r48 h GLN 30 CO -0.04 0.76 -1.11 -2.39 -0.67 0.00 0.00 178.83 175.38 1r48 n HIS 31 N -3.61 -0.25 0.13 2.96 1.44 0.27 -4.94 115.22 111.21 1r48 n HIS 31 Ca -0.01 -3.59 -0.01 0.00 -2.01 0.00 0.00 57.72 52.11 1r48 n HIS 31 Cb 0.74 -0.22 0.11 0.00 0.12 0.00 0.00 29.99 30.75 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 3.28 0.00 -0.03 -1.40 0.13 0.48 -3.45 132.00 131.01 1r48 h PRO 32 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1r48 h PRO 32 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1r48 h PRO 32 CO 0.46 0.65 0.00 0.54 -0.23 0.00 0.00 178.00 179.42