#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 -0.01 3.50 0.00 0.00 -1.26 -5.05 105.19 102.37 1r48 n GLY 2 Ca 0.00 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1r48 n GLY 2 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r48 s GLY 3 N 0.00 1.24 -1.24 -0.02 0.00 -1.26 -4.00 107.32 102.05 1r48 s GLY 3 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.88 1r48 s GLY 3 CO 0.00 2.35 0.00 1.22 0.00 0.00 0.00 173.10 176.67 1r48 n ASP 4 N 8.33 -5.30 0.14 1.64 9.92 -1.26 -4.82 116.55 125.20 1r48 n ASP 4 Ca 0.07 0.29 0.18 0.00 -0.53 0.00 0.00 54.79 54.80 1r48 n ASP 4 Cb 0.48 -3.83 0.78 0.00 -0.64 0.00 0.00 41.12 37.90 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 -1.97 -0.17 115.58 111.29 1r48 h ASN 5 Ca -0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 55.91 1r48 h ASN 5 Cb 1.06 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.40 1r48 h ASN 5 CO 0.35 0.00 -0.66 0.40 -0.00 0.00 0.00 177.43 177.52 1r48 h ILE 6 N 0.00 1.53 -0.27 2.57 2.04 -1.88 -2.70 117.51 118.80 1r48 h ILE 6 Ca 0.14 -2.39 0.08 0.00 1.00 0.00 0.00 64.86 63.68 1r48 h ILE 6 Cb 0.73 3.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 1r48 h ILE 6 CO -0.00 0.67 0.20 -0.08 0.00 0.00 0.00 178.15 178.94 1r48 h GLU 7 N -0.39 0.00 0.19 2.37 4.81 -1.45 -0.50 114.58 119.62 1r48 h GLU 7 Ca -0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.81 1r48 h GLU 7 Cb 1.48 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.89 1r48 h GLU 7 CO 0.13 0.00 -1.36 0.37 -0.73 0.00 0.00 179.01 177.42 1r48 h GLN 8 N 0.00 0.49 -0.61 1.92 4.15 -1.36 -2.94 115.11 116.75 1r48 h GLN 8 Ca 0.13 -0.78 -0.03 0.00 0.77 0.00 0.00 58.65 58.74 1r48 h GLN 8 Cb 0.52 0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1r48 h GLN 8 CO -0.00 1.36 0.26 -0.22 -1.93 0.00 0.00 178.83 178.30 1r48 h LYS 9 N 0.16 0.89 -0.23 1.69 3.64 -0.81 -2.77 116.57 119.14 1r48 h LYS 9 Ca -0.21 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 58.93 1r48 h LYS 9 Cb 2.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1r48 h LYS 9 CO 0.25 0.72 -0.30 -0.84 -2.27 0.00 0.00 179.45 177.01 1r48 h ILE 10 N 0.88 1.32 -1.00 2.00 3.07 -1.23 -2.93 117.51 119.62 1r48 h ILE 10 Ca 0.21 -1.49 0.26 0.00 1.55 0.00 0.00 64.86 65.39 1r48 h ILE 10 Cb 0.15 1.75 -0.07 0.00 -0.27 0.00 0.00 36.82 38.38 1r48 h ILE 10 CO -0.02 0.46 0.67 -0.78 -1.05 0.00 0.00 178.15 177.43 1r48 h ASP 11 N 0.30 0.33 -0.19 2.16 1.82 -1.30 0.57 116.42 120.10 1r48 h ASP 11 Ca 0.03 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1r48 h ASP 11 Cb 0.87 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1r48 h ASP 11 CO 0.07 0.09 -0.01 0.44 -1.61 0.00 0.00 179.24 178.22 1r48 h ASP 12 N 0.30 0.34 -0.34 2.28 3.32 -1.35 -2.91 116.42 118.06 1r48 h ASP 12 Ca 0.53 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1r48 h ASP 12 Cb 1.52 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 1r48 h ASP 12 CO -0.19 0.58 0.20 0.40 -1.72 0.00 0.00 179.24 178.51 1r48 h ILE 13 N 0.09 1.13 -1.13 0.35 2.04 0.03 -1.99 117.51 118.03 1r48 h ILE 13 Ca 0.05 -0.33 0.32 0.00 1.00 0.00 0.00 64.86 65.90 1r48 h ILE 13 Cb 0.42 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1r48 h ILE 13 CO 0.01 0.13 0.78 -0.78 0.00 0.00 0.00 178.15 178.30 1r48 h ASP 14 N 0.44 0.15 0.87 1.72 1.82 -0.18 1.35 116.42 122.59 1r48 h ASP 14 Ca 0.12 0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.63 1r48 h ASP 14 Cb 0.04 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1r48 h ASP 14 CO -0.02 0.02 -0.75 -0.74 -1.61 0.00 0.00 179.24 176.14 1r48 h HIS 15 N 0.13 0.00 0.04 0.28 2.76 -1.17 -2.95 115.15 114.23 1r48 h HIS 15 Ca 0.57 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.47 1r48 h HIS 15 Cb 2.00 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.93 1r48 h HIS 15 CO -0.00 0.75 -1.43 0.93 -1.30 0.00 0.00 177.93 176.88 1r48 h GLU 16 N 0.00 0.09 -0.29 5.26 4.39 0.17 -2.96 114.58 121.23 1r48 h GLU 16 Ca -0.01 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1r48 h GLU 16 Cb 1.39 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1r48 h GLU 16 CO 0.10 0.88 -0.16 0.82 -1.16 0.00 0.00 179.01 179.49 1r48 h ILE 17 N 0.02 1.24 0.12 3.13 2.04 0.17 -2.93 117.51 121.31 1r48 h ILE 17 Ca -0.18 -1.10 -0.27 0.00 1.00 0.00 0.00 64.86 64.30 1r48 h ILE 17 Cb 1.94 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1r48 h ILE 17 CO 0.12 0.36 -1.21 0.00 0.00 0.00 0.00 178.15 177.43 1r48 h ALA 18 N 1.36 0.12 -0.72 1.87 0.00 -1.62 -3.10 119.26 117.16 1r48 h ALA 18 Ca 0.08 -0.84 0.10 0.00 0.00 0.00 0.00 54.91 54.26 1r48 h ALA 18 Cb 0.55 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1r48 h ALA 18 CO 0.04 0.89 0.35 0.22 0.00 0.00 0.00 179.25 180.74 1r48 h ASP 19 N 0.13 0.44 0.04 0.00 3.58 -1.34 -0.66 116.42 118.60 1r48 h ASP 19 Ca -0.14 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1r48 h ASP 19 Cb 1.91 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1r48 h ASP 19 CO 0.21 0.24 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.72 1r48 h LEU 20 N 0.58 -0.04 -1.53 2.28 3.38 -1.61 -2.84 115.31 115.53 1r48 h LEU 20 Ca 0.36 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 58.14 1r48 h LEU 20 Cb 0.42 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1r48 h LEU 20 CO -0.29 0.40 0.62 -0.61 0.09 0.00 0.00 178.44 178.65 1r48 h GLN 21 N -0.49 0.36 -0.11 1.13 4.15 -1.37 0.33 115.11 119.10 1r48 h GLN 21 Ca -0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 1r48 h GLN 21 Cb 0.45 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1r48 h GLN 21 CO 0.01 0.24 -0.52 0.00 -1.93 0.00 0.00 178.83 176.62 1r48 h ALA 22 N 1.60 0.90 -0.33 3.38 0.00 -1.04 -2.93 119.26 120.85 1r48 h ALA 22 Ca 0.49 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1r48 h ALA 22 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1r48 h ALA 22 CO -0.18 0.68 -0.20 0.87 0.00 0.00 0.00 179.25 180.42 1r48 h LYS 23 N 0.25 0.61 -0.18 0.00 6.56 -0.13 -2.15 116.57 121.53 1r48 h LYS 23 Ca 0.01 -0.22 -0.04 0.00 -1.06 0.00 0.00 60.65 59.34 1r48 h LYS 23 Cb 1.01 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 1r48 h LYS 23 CO 0.09 0.77 -0.03 0.00 -2.06 0.00 0.00 179.45 178.21 1r48 h ARG 24 N 0.54 0.35 0.41 3.15 3.08 -1.28 -2.49 114.38 118.14 1r48 h ARG 24 Ca 0.08 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1r48 h ARG 24 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1r48 h ARG 24 CO 0.05 0.59 -0.20 1.15 -1.07 0.00 0.00 179.97 180.49 1r48 h THR 25 N 0.07 0.60 -0.75 2.04 2.02 -1.45 -1.59 112.91 113.85 1r48 h THR 25 Ca 0.05 -0.15 0.15 0.00 0.77 0.00 0.00 66.41 67.23 1r48 h THR 25 Cb 0.46 0.68 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 1r48 h THR 25 CO 0.02 0.03 0.26 0.08 0.37 0.00 0.00 175.52 176.27 1r48 h ARG 26 N -0.64 0.36 -0.65 6.66 0.11 -1.45 0.48 114.38 119.26 1r48 h ARG 26 Ca -0.06 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 1r48 h ARG 26 Cb 0.47 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.44 1r48 h ARG 26 CO 0.09 0.24 0.38 -0.07 0.10 0.00 0.00 179.97 180.72 1r48 h LEU 27 N 0.37 0.78 -0.42 0.08 4.07 -1.26 -2.04 115.31 116.89 1r48 h LEU 27 Ca 0.42 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.28 1r48 h LEU 27 Cb 0.68 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1r48 h LEU 27 CO -0.45 0.61 0.04 0.58 -1.08 0.00 0.00 178.44 178.14 1r48 h VAL 28 N 0.90 1.25 -0.76 1.22 2.07 0.86 -2.11 116.25 119.69 1r48 h VAL 28 Ca 0.23 -0.95 0.22 0.00 0.82 0.00 0.00 66.70 67.03 1r48 h VAL 28 Cb -0.02 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1r48 h VAL 28 CO -0.04 0.32 0.59 1.56 0.02 0.00 0.00 177.57 180.02 1r48 h GLN 29 N 0.55 0.00 0.03 1.57 7.50 -0.14 0.85 115.11 125.46 1r48 h GLN 29 Ca 0.12 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 59.06 1r48 h GLN 29 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 1r48 h GLN 29 CO 0.01 0.00 -0.97 1.96 -1.50 0.00 0.00 178.83 178.33 1r48 h GLN 30 N 0.00 0.20 -2.06 1.46 7.50 -1.17 -3.37 115.11 117.67 1r48 h GLN 30 Ca 0.36 -0.25 -0.51 0.00 0.50 0.00 0.00 58.65 58.74 1r48 h GLN 30 Cb 1.54 0.08 -0.41 0.00 0.05 0.00 0.00 27.48 28.75 1r48 h GLN 30 CO -0.00 1.02 -1.01 -2.39 -1.50 0.00 0.00 178.83 174.95 1r48 n HIS 31 N -3.60 1.53 -1.75 2.96 1.44 0.24 -5.11 115.22 110.92 1r48 n HIS 31 Ca -0.04 -3.85 -0.29 0.00 -2.01 0.00 0.00 57.72 51.53 1r48 n HIS 31 Cb 0.87 -0.44 0.16 0.00 0.12 0.00 0.00 29.99 30.70 1r48 n HIS 31 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1r48 s PRO 32 N -2.81 0.83 0.00 -1.40 0.04 0.17 -4.85 135.00 126.98 1r48 s PRO 32 Ca 0.43 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1r48 s PRO 32 Cb 0.33 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 33.03 1r48 s PRO 32 CO -0.10 -2.33 0.00 2.89 0.04 0.00 0.00 177.00 177.50