#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 1.68 0.00 0.00 0.00 -1.26 -5.01 107.32 102.73 1r48 s GLY 2 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1r48 s GLY 2 CO 0.00 0.75 0.00 0.61 0.00 0.00 0.00 173.10 174.46 1r48 n GLY 3 N -0.65 1.99 1.32 0.20 0.00 -1.26 -4.98 105.19 101.81 1r48 n GLY 3 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.86 -0.02 1.61 9.92 -1.26 -4.36 116.55 126.31 1r48 n ASP 4 Ca 0.00 -2.35 0.22 0.00 -0.53 0.00 0.00 54.79 52.13 1r48 n ASP 4 Cb 0.00 -0.51 0.72 0.00 -0.64 0.00 0.00 41.12 40.68 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 3.25 0.00 0.12 -2.24 -0.00 -1.98 0.71 115.58 115.43 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 1.20 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.54 1r48 h ASN 5 CO 0.19 0.00 -0.76 0.40 -0.00 0.00 0.00 177.43 177.25 1r48 h ILE 6 N 0.00 1.51 -0.40 2.57 2.04 -2.01 -3.13 117.51 118.09 1r48 h ILE 6 Ca 0.28 -2.47 0.12 0.00 1.00 0.00 0.00 64.86 63.79 1r48 h ILE 6 Cb 1.19 3.13 -0.02 0.00 -0.74 0.00 0.00 36.82 40.38 1r48 h ILE 6 CO -0.00 0.70 0.36 -0.08 0.00 0.00 0.00 178.15 179.12 1r48 h GLU 7 N -0.35 0.00 0.04 2.37 4.81 -1.20 0.71 114.58 120.97 1r48 h GLU 7 Ca -0.13 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.86 1r48 h GLU 7 Cb 1.58 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.98 1r48 h GLU 7 CO 0.14 0.00 -0.96 0.37 -0.73 0.00 0.00 179.01 177.84 1r48 h GLN 8 N 0.00 0.57 -0.71 1.92 4.15 -1.33 -2.56 115.11 117.16 1r48 h GLN 8 Ca 0.19 -0.67 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 1r48 h GLN 8 Cb 0.90 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 1r48 h GLN 8 CO -0.00 1.27 0.31 -0.22 -1.93 0.00 0.00 178.83 178.27 1r48 h LYS 9 N 0.17 1.02 -0.23 1.69 3.64 -0.85 -2.83 116.57 119.19 1r48 h LYS 9 Ca -0.13 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 1r48 h LYS 9 Cb 1.64 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1r48 h LYS 9 CO 0.19 0.81 -0.32 -0.84 -2.27 0.00 0.00 179.45 177.02 1r48 h ILE 10 N 1.01 1.32 -1.02 2.00 3.07 -1.29 -2.95 117.51 119.65 1r48 h ILE 10 Ca 0.24 -1.51 0.27 0.00 1.55 0.00 0.00 64.86 65.40 1r48 h ILE 10 Cb 0.14 1.76 -0.08 0.00 -0.27 0.00 0.00 36.82 38.37 1r48 h ILE 10 CO -0.03 0.47 0.68 -0.78 -1.05 0.00 0.00 178.15 177.45 1r48 h ASP 11 N 0.31 0.33 -0.20 2.16 3.58 -1.21 0.66 116.42 122.04 1r48 h ASP 11 Ca 0.02 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1r48 h ASP 11 Cb 0.90 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1r48 h ASP 11 CO 0.07 0.08 -0.03 0.44 -2.88 0.00 0.00 179.24 176.92 1r48 h ASP 12 N 0.30 0.38 -0.37 2.28 5.19 -1.35 -2.95 116.42 119.91 1r48 h ASP 12 Ca 0.55 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1r48 h ASP 12 Cb 1.57 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.96 1r48 h ASP 12 CO -0.20 0.64 0.25 0.40 -3.12 0.00 0.00 179.24 177.20 1r48 h ILE 13 N 0.12 1.10 -1.09 0.35 2.04 0.23 -1.82 117.51 118.44 1r48 h ILE 13 Ca 0.05 -0.18 0.30 0.00 1.00 0.00 0.00 64.86 66.03 1r48 h ILE 13 Cb 0.47 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 1r48 h ILE 13 CO 0.02 0.09 0.74 -0.78 0.00 0.00 0.00 178.15 178.22 1r48 h ASP 14 N 0.50 0.26 0.86 1.72 3.58 -0.27 1.27 116.42 124.34 1r48 h ASP 14 Ca 0.14 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.51 1r48 h ASP 14 Cb -0.06 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1r48 h ASP 14 CO -0.03 0.04 -0.61 -0.74 -2.88 0.00 0.00 179.24 175.02 1r48 h HIS 15 N 0.22 0.00 0.08 0.28 2.76 -1.17 -2.94 115.15 114.39 1r48 h HIS 15 Ca 0.58 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.45 1r48 h HIS 15 Cb 1.81 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.75 1r48 h HIS 15 CO -0.00 0.61 -1.53 0.93 -1.30 0.00 0.00 177.93 176.63 1r48 h GLU 16 N 0.00 0.18 -0.19 5.26 5.08 0.15 -3.02 114.58 122.03 1r48 h GLU 16 Ca -0.01 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1r48 h GLU 16 Cb 1.20 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1r48 h GLU 16 CO 0.08 1.00 -0.09 0.82 -1.00 0.00 0.00 179.01 179.82 1r48 h ILE 17 N 0.05 1.18 0.25 3.13 2.04 0.15 -2.85 117.51 121.45 1r48 h ILE 17 Ca -0.24 -0.75 -0.34 0.00 1.00 0.00 0.00 64.86 64.54 1r48 h ILE 17 Cb 1.99 1.13 0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1r48 h ILE 17 CO 0.14 0.24 -1.48 0.00 0.00 0.00 0.00 178.15 177.05 1r48 h ALA 18 N 1.63 -0.15 -0.81 1.87 0.00 -1.62 -3.10 119.26 117.07 1r48 h ALA 18 Ca 0.06 -0.86 0.12 0.00 0.00 0.00 0.00 54.91 54.22 1r48 h ALA 18 Cb 0.34 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1r48 h ALA 18 CO 0.02 0.71 0.44 0.22 0.00 0.00 0.00 179.25 180.63 1r48 h ASP 19 N 0.15 0.57 0.24 0.00 1.82 -1.37 -0.50 116.42 117.33 1r48 h ASP 19 Ca -0.25 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1r48 h ASP 19 Cb 2.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.15 1r48 h ASP 19 CO 0.27 0.29 -0.11 -0.07 -1.61 0.00 0.00 179.24 178.01 1r48 h LEU 20 N 0.69 -0.27 -1.65 2.28 3.38 -1.61 -2.73 115.31 115.38 1r48 h LEU 20 Ca 0.42 -0.25 0.21 0.00 0.09 0.00 0.00 57.88 58.35 1r48 h LEU 20 Cb 0.48 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1r48 h LEU 20 CO -0.30 0.16 0.59 -0.61 0.09 0.00 0.00 178.44 178.37 1r48 h GLN 21 N -0.77 0.28 0.00 1.13 4.15 -1.40 0.31 115.11 118.81 1r48 h GLN 21 Ca -0.03 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1r48 h GLN 21 Cb 0.50 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1r48 h GLN 21 CO 0.05 0.18 -0.64 0.00 -1.93 0.00 0.00 178.83 176.50 1r48 h ALA 22 N 1.61 0.92 -0.11 3.38 0.00 -1.05 -3.04 119.26 120.97 1r48 h ALA 22 Ca 0.44 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1r48 h ALA 22 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r48 h ALA 22 CO -0.13 0.80 -0.67 0.87 0.00 0.00 0.00 179.25 180.12 1r48 h LYS 23 N 0.00 0.45 -0.32 0.00 6.56 -0.08 -2.77 116.57 120.41 1r48 h LYS 23 Ca -0.01 -0.34 -0.06 0.00 -1.06 0.00 0.00 60.65 59.19 1r48 h LYS 23 Cb 1.15 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 1r48 h LYS 23 CO 0.08 0.96 -0.03 0.00 -2.06 0.00 0.00 179.45 178.40 1r48 h ARG 24 N 0.32 0.58 0.64 3.15 3.08 -1.33 -2.58 114.38 118.25 1r48 h ARG 24 Ca -0.02 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1r48 h ARG 24 Cb 1.23 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.25 1r48 h ARG 24 CO 0.12 0.74 -0.31 1.15 -1.07 0.00 0.00 179.97 180.60 1r48 h THR 25 N 0.37 0.29 -1.01 2.04 2.02 -1.56 -1.08 112.91 113.97 1r48 h THR 25 Ca 0.09 -0.20 0.25 0.00 0.77 0.00 0.00 66.41 67.31 1r48 h THR 25 Cb 0.50 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.14 1r48 h THR 25 CO 0.02 0.02 0.61 0.08 0.37 0.00 0.00 175.52 176.62 1r48 h ARG 26 N -1.01 0.55 -0.58 6.66 0.11 -1.56 0.58 114.38 119.13 1r48 h ARG 26 Ca -0.09 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.85 1r48 h ARG 26 Cb 0.70 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 1r48 h ARG 26 CO 0.15 0.36 -0.05 -0.07 0.10 0.00 0.00 179.97 180.46 1r48 h LEU 27 N 0.57 1.04 -0.25 0.08 3.38 -1.27 -2.89 115.31 115.99 1r48 h LEU 27 Ca 0.64 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1r48 h LEU 27 Cb 1.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1r48 h LEU 27 CO -0.45 1.12 0.16 0.58 0.09 0.00 0.00 178.44 179.94 1r48 h VAL 28 N 0.95 1.08 -0.86 1.22 2.07 0.14 -1.18 116.25 119.66 1r48 h VAL 28 Ca 0.16 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.73 1r48 h VAL 28 Cb 0.62 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1r48 h VAL 28 CO 0.04 0.07 0.59 1.56 0.02 0.00 0.00 177.57 179.85 1r48 h GLN 29 N 0.32 0.25 -0.08 1.57 4.20 -0.93 0.85 115.11 121.30 1r48 h GLN 29 Ca 0.09 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1r48 h GLN 29 Cb -0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1r48 h GLN 29 CO -0.02 0.17 -0.31 0.37 -0.67 0.00 0.00 178.83 178.37 1r48 h GLN 30 N 0.26 0.14 -2.57 1.46 4.15 -1.02 -3.36 115.11 114.17 1r48 h GLN 30 Ca 0.44 -0.05 -0.59 0.00 0.77 0.00 0.00 58.65 59.22 1r48 h GLN 30 Cb 1.29 -0.01 -0.39 0.00 0.21 0.00 0.00 27.48 28.58 1r48 h GLN 30 CO -0.12 0.44 -0.87 -3.38 -1.93 0.00 0.00 178.83 172.97 1r48 s HIS 31 N -4.35 1.12 0.20 3.99 -3.43 0.29 -4.97 115.29 108.15 1r48 s HIS 31 Ca -0.04 -2.04 0.33 0.00 -0.80 0.00 0.00 55.06 52.50 1r48 s HIS 31 Cb 0.14 -1.10 1.42 0.00 -1.43 0.00 0.00 32.58 31.62 1r48 s HIS 31 CO 0.74 -0.81 2.01 -1.00 -2.00 0.00 0.00 174.74 173.68 1r48 h PRO 32 N 6.42 0.00 0.00 -0.38 0.13 -1.62 -3.44 132.00 133.10 1r48 h PRO 32 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1r48 h PRO 32 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1r48 h PRO 32 CO 0.35 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 178.71