#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 -0.49 7.00 0.00 0.00 -1.26 -5.12 105.19 105.32 1r48 n GLY 2 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.32 1.20 -0.02 0.00 -1.26 -2.99 105.19 103.44 1r48 n GLY 3 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 7.44 3.49 0.05 1.61 8.00 -1.26 -4.32 116.55 131.57 1r48 n ASP 4 Ca 0.00 -2.32 0.21 0.00 0.71 0.00 0.00 54.79 53.39 1r48 n ASP 4 Cb 0.00 -0.48 0.74 0.00 -0.02 0.00 0.00 41.12 41.35 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 2.87 0.00 0.12 -2.24 -0.00 -1.98 0.60 115.58 114.95 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 1.10 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.43 1r48 h ASN 5 CO 0.17 0.00 -0.85 0.40 -0.00 0.00 0.00 177.43 177.15 1r48 h ILE 6 N 0.00 1.44 -0.21 2.57 2.04 -1.87 -3.17 117.51 118.32 1r48 h ILE 6 Ca 0.22 -2.48 0.06 0.00 1.00 0.00 0.00 64.86 63.66 1r48 h ILE 6 Cb 1.06 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 40.24 1r48 h ILE 6 CO -0.00 0.69 0.20 -0.08 0.00 0.00 0.00 178.15 178.96 1r48 h GLU 7 N -0.45 0.00 0.09 2.37 4.81 -1.23 -0.37 114.58 119.80 1r48 h GLU 7 Ca -0.16 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.78 1r48 h GLU 7 Cb 1.58 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.99 1r48 h GLU 7 CO 0.11 0.00 -1.19 0.37 -0.73 0.00 0.00 179.01 177.57 1r48 h GLN 8 N 0.00 0.62 -0.67 1.92 4.15 -1.26 -2.71 115.11 117.16 1r48 h GLN 8 Ca 0.10 -0.78 -0.03 0.00 0.77 0.00 0.00 58.65 58.70 1r48 h GLN 8 Cb 0.50 0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1r48 h GLN 8 CO -0.00 1.35 0.29 -0.22 -1.93 0.00 0.00 178.83 178.31 1r48 h LYS 9 N 0.29 0.97 -0.22 1.69 3.64 -1.06 -2.81 116.57 119.07 1r48 h LYS 9 Ca -0.17 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 58.94 1r48 h LYS 9 Cb 1.86 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1r48 h LYS 9 CO 0.23 0.78 -0.35 -0.84 -2.27 0.00 0.00 179.45 176.99 1r48 h ILE 10 N 0.96 1.32 -0.97 2.00 3.07 -1.41 -2.97 117.51 119.51 1r48 h ILE 10 Ca 0.23 -1.56 0.24 0.00 1.55 0.00 0.00 64.86 65.32 1r48 h ILE 10 Cb 0.15 1.78 -0.07 0.00 -0.27 0.00 0.00 36.82 38.41 1r48 h ILE 10 CO -0.02 0.49 0.65 -0.78 -1.05 0.00 0.00 178.15 177.43 1r48 h ASP 11 N 0.33 0.33 -0.23 2.16 3.58 -1.23 0.53 116.42 121.90 1r48 h ASP 11 Ca 0.02 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1r48 h ASP 11 Cb 0.94 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1r48 h ASP 11 CO 0.08 0.10 -0.04 0.44 -2.88 0.00 0.00 179.24 176.94 1r48 h ASP 12 N 0.32 0.43 -0.37 2.28 5.19 -1.37 -2.95 116.42 119.95 1r48 h ASP 12 Ca 0.51 -0.36 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1r48 h ASP 12 Cb 1.44 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1r48 h ASP 12 CO -0.18 0.69 0.22 0.40 -3.12 0.00 0.00 179.24 177.25 1r48 h ILE 13 N 0.17 1.12 -1.09 0.35 2.04 -0.04 -1.99 117.51 118.07 1r48 h ILE 13 Ca 0.06 -0.29 0.30 0.00 1.00 0.00 0.00 64.86 65.93 1r48 h ILE 13 Cb 0.49 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1r48 h ILE 13 CO 0.02 0.13 0.74 -0.78 0.00 0.00 0.00 178.15 178.26 1r48 h ASP 14 N 0.48 0.24 0.84 1.72 1.82 -0.24 1.30 116.42 122.58 1r48 h ASP 14 Ca 0.13 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.68 1r48 h ASP 14 Cb 0.01 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1r48 h ASP 14 CO -0.02 0.04 -0.65 -0.74 -1.61 0.00 0.00 179.24 176.26 1r48 h HIS 15 N 0.21 0.00 0.09 0.28 2.76 -1.20 -2.93 115.15 114.36 1r48 h HIS 15 Ca 0.58 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.46 1r48 h HIS 15 Cb 1.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.78 1r48 h HIS 15 CO -0.00 0.65 -1.50 0.93 -1.30 0.00 0.00 177.93 176.70 1r48 h GLU 16 N 0.00 0.19 -0.16 5.26 4.39 0.16 -2.99 114.58 121.42 1r48 h GLU 16 Ca -0.01 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.32 1r48 h GLU 16 Cb 1.24 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1r48 h GLU 16 CO 0.08 1.02 -0.13 0.82 -1.16 0.00 0.00 179.01 179.65 1r48 h ILE 17 N 0.05 1.18 0.18 3.13 2.04 0.16 -2.77 117.51 121.48 1r48 h ILE 17 Ca -0.22 -0.80 -0.30 0.00 1.00 0.00 0.00 64.86 64.54 1r48 h ILE 17 Cb 1.98 1.20 0.02 0.00 -0.74 0.00 0.00 36.82 39.28 1r48 h ILE 17 CO 0.15 0.25 -1.38 0.00 0.00 0.00 0.00 178.15 177.17 1r48 h ALA 18 N 1.63 0.02 -0.73 1.87 0.00 -1.61 -3.08 119.26 117.35 1r48 h ALA 18 Ca 0.05 -0.91 0.10 0.00 0.00 0.00 0.00 54.91 54.15 1r48 h ALA 18 Cb 0.38 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1r48 h ALA 18 CO 0.02 0.89 0.37 -0.44 0.00 0.00 0.00 179.25 180.09 1r48 h ASP 19 N 0.10 0.47 0.08 0.00 5.19 -1.34 -0.72 116.42 120.21 1r48 h ASP 19 Ca -0.20 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1r48 h ASP 19 Cb 2.06 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.55 1r48 h ASP 19 CO 0.23 0.26 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.50 1r48 h LEU 20 N 0.61 -0.09 -1.67 1.55 3.38 -1.62 -2.78 115.31 114.69 1r48 h LEU 20 Ca 0.36 -0.42 0.23 0.00 0.09 0.00 0.00 57.88 58.14 1r48 h LEU 20 Cb 0.39 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1r48 h LEU 20 CO -0.28 0.40 0.62 -0.61 0.09 0.00 0.00 178.44 178.67 1r48 h GLN 21 N -0.60 0.25 -0.01 1.13 -0.00 -1.38 0.36 115.11 114.85 1r48 h GLN 21 Ca -0.01 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.46 1r48 h GLN 21 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.91 1r48 h GLN 21 CO 0.02 0.16 -0.77 0.00 0.00 0.00 0.00 178.83 178.24 1r48 h ALA 22 N 1.59 0.71 -0.02 3.38 0.00 -1.08 -2.80 119.26 121.04 1r48 h ALA 22 Ca 0.47 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1r48 h ALA 22 Cb 1.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1r48 h ALA 22 CO -0.13 0.90 -0.76 0.87 0.00 0.00 0.00 179.25 180.14 1r48 h LYS 23 N 0.05 0.14 -0.11 0.00 1.57 -0.06 -2.53 116.57 115.62 1r48 h LYS 23 Ca -0.02 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1r48 h LYS 23 Cb 1.35 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1r48 h LYS 23 CO 0.11 0.83 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.37 1r48 h ARG 24 N 0.09 0.45 0.49 3.15 2.43 -1.17 -2.94 114.38 116.88 1r48 h ARG 24 Ca -0.02 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1r48 h ARG 24 Cb 1.33 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1r48 h ARG 24 CO 0.11 0.95 -0.24 1.15 -1.51 0.00 0.00 179.97 180.44 1r48 h THR 25 N 0.03 0.41 -1.02 0.20 2.02 -1.55 -1.97 112.91 111.03 1r48 h THR 25 Ca -0.01 -0.40 0.27 0.00 0.77 0.00 0.00 66.41 67.03 1r48 h THR 25 Cb 0.99 0.56 -0.12 0.00 -1.74 0.00 0.00 68.15 67.84 1r48 h THR 25 CO 0.08 0.06 0.62 0.08 0.37 0.00 0.00 175.52 176.72 1r48 h ARG 26 N -0.93 0.48 -0.61 6.66 -0.00 -1.58 0.77 114.38 119.17 1r48 h ARG 26 Ca -0.07 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.98 59.79 1r48 h ARG 26 Cb 0.60 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 30.44 1r48 h ARG 26 CO 0.11 0.32 0.02 -0.07 -0.00 0.00 0.00 179.97 180.35 1r48 h LEU 27 N 0.50 1.04 -0.29 0.08 3.38 -1.40 -2.83 115.31 115.78 1r48 h LEU 27 Ca 0.65 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1r48 h LEU 27 Cb 1.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1r48 h LEU 27 CO -0.45 1.08 0.16 0.58 0.09 0.00 0.00 178.44 179.90 1r48 h VAL 28 N 0.97 1.13 -0.85 1.22 2.07 0.12 -1.45 116.25 119.46 1r48 h VAL 28 Ca 0.18 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.59 1r48 h VAL 28 Cb 0.54 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1r48 h VAL 28 CO 0.03 0.13 0.60 1.56 0.02 0.00 0.00 177.57 179.90 1r48 h GLN 29 N 0.35 0.13 -0.10 1.57 4.20 -0.75 0.87 115.11 121.37 1r48 h GLN 29 Ca 0.10 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1r48 h GLN 29 Cb 0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1r48 h GLN 29 CO -0.02 0.09 -0.43 0.37 -0.67 0.00 0.00 178.83 178.17 1r48 h GLN 30 N 0.14 0.23 -2.21 1.46 5.75 -1.03 -3.35 115.11 116.09 1r48 h GLN 30 Ca 0.42 -0.12 -0.58 0.00 -0.15 0.00 0.00 58.65 58.23 1r48 h GLN 30 Cb 1.45 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.60 1r48 h GLN 30 CO -0.07 0.63 -0.96 -2.39 -2.65 0.00 0.00 178.83 173.39 1r48 n HIS 31 N -4.01 0.26 -1.22 3.99 1.44 0.29 -5.13 115.22 110.84 1r48 n HIS 31 Ca -0.02 -3.62 -0.29 0.00 -2.01 0.00 0.00 57.72 51.79 1r48 n HIS 31 Cb 0.49 -0.22 0.19 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.01 -0.02 0.00 -1.40 0.04 -0.50 -4.82 135.00 127.31 1r48 s PRO 32 Ca 0.34 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1r48 s PRO 32 Cb 0.11 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1r48 s PRO 32 CO -0.13 -2.97 0.00 0.54 0.04 0.00 0.00 177.00 174.48