#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aha h ASP 36 N 0.00 0.11 -0.20 -3.46 3.32 -2.05 0.28 116.42 114.43 3aha h ASP 36 Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3aha h ASP 36 Cb 0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3aha h ASP 36 CO 0.00 0.53 -0.03 0.40 -1.72 0.00 0.00 179.24 178.42 3aha h ILE 37 N 0.09 1.28 -0.68 0.35 2.04 -2.06 -2.11 117.51 116.42 3aha h ILE 37 Ca 0.01 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3aha h ILE 37 Cb 0.79 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3aha h ILE 37 CO 0.06 0.29 0.33 0.58 0.00 0.00 0.00 178.15 179.42 3aha h VAL 38 N 0.10 1.22 -0.73 1.67 2.07 -1.94 -0.67 116.25 117.97 3aha h VAL 38 Ca 0.05 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3aha h VAL 38 Cb 0.46 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3aha h VAL 38 CO 0.02 0.25 0.47 -0.61 0.02 0.00 0.00 177.57 177.72 3aha h GLN 39 N 0.96 0.97 -0.48 1.57 5.75 -0.91 -1.30 115.11 121.66 3aha h GLN 39 Ca 0.24 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.60 3aha h GLN 39 Cb 0.09 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3aha h GLN 39 CO -0.03 0.65 0.01 0.37 -2.65 0.00 0.00 178.83 177.18 3aha h GLN 40 N 0.99 0.78 -0.69 1.69 5.75 -0.75 -1.43 115.11 121.45 3aha h GLN 40 Ca 0.27 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3aha h GLN 40 Cb -0.09 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3aha h GLN 40 CO -0.06 0.79 0.25 1.96 -2.65 0.00 0.00 178.83 179.12 3aha h GLN 41 N 0.73 1.03 -0.20 1.69 4.20 -0.48 -0.00 115.11 122.08 3aha h GLN 41 Ca 0.15 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3aha h GLN 41 Cb 0.43 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3aha h GLN 41 CO 0.02 0.86 0.11 -0.97 -0.67 0.00 0.00 178.83 178.17 3aha h ASN 42 N 1.00 0.17 -0.36 1.46 -0.73 -0.86 -0.93 115.58 115.34 3aha h ASN 42 Ca 0.23 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.47 3aha h ASN 42 Cb 0.23 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.73 3aha h ASN 42 CO -0.02 0.13 0.02 0.78 -0.37 0.00 0.00 177.43 177.98 3aha h ASN 43 N 0.23 -0.10 -0.21 1.15 2.35 -0.77 -1.07 115.58 117.16 3aha h ASN 43 Ca 0.08 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.74 3aha h ASN 43 Cb 0.01 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3aha h ASN 43 CO -0.05 -0.01 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.18 3aha h LEU 44 N 0.13 0.85 -0.55 1.61 3.38 -0.84 -1.39 115.31 118.50 3aha h LEU 44 Ca 0.18 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3aha h LEU 44 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3aha h LEU 44 CO -0.28 1.18 0.14 0.25 0.09 0.00 0.00 178.44 179.83 3aha h LEU 45 N 0.62 0.83 -0.79 1.67 5.85 -0.95 -0.71 115.31 121.83 3aha h LEU 45 Ca 0.03 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3aha h LEU 45 Cb 1.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3aha h LEU 45 CO 0.10 0.84 0.38 0.03 -0.34 0.00 0.00 178.44 179.44 3aha h ARG 46 N 0.78 1.14 -0.24 1.25 3.08 -1.05 -0.21 114.38 119.13 3aha h ARG 46 Ca 0.17 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3aha h ARG 46 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3aha h ARG 46 CO -0.00 0.89 0.15 0.00 -1.07 0.00 0.00 179.97 179.94 3aha h ALA 47 N 1.20 0.30 -0.71 0.04 0.00 -0.85 -1.16 119.26 118.07 3aha h ALA 47 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3aha h ALA 47 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3aha h ALA 47 CO -0.03 -0.22 0.45 0.82 0.00 0.00 0.00 179.25 180.27 3aha h ILE 48 N 0.32 1.12 -0.43 0.00 2.04 -0.77 0.11 117.51 119.90 3aha h ILE 48 Ca 0.09 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3aha h ILE 48 Cb -0.03 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3aha h ILE 48 CO -0.02 0.16 0.11 -0.33 0.00 0.00 0.00 178.15 178.07 3aha h GLU 49 N 0.90 0.68 -0.51 2.37 5.08 -0.77 -0.58 114.58 121.75 3aha h GLU 49 Ca 0.28 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3aha h GLU 49 Cb -0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3aha h GLU 49 CO -0.10 0.69 0.08 0.00 -1.00 0.00 0.00 179.01 178.68 3aha h ALA 50 N 0.96 0.68 -0.81 3.43 0.00 -0.93 -1.85 119.26 120.73 3aha h ALA 50 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3aha h ALA 50 Cb 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3aha h ALA 50 CO 0.00 0.41 0.54 1.96 0.00 0.00 0.00 179.25 182.16 3aha h GLN 51 N 0.72 1.07 -0.65 0.00 4.20 -0.82 -1.67 115.11 117.96 3aha h GLN 51 Ca 0.15 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3aha h GLN 51 Cb 0.40 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3aha h GLN 51 CO 0.01 0.70 0.10 0.37 -0.67 0.00 0.00 178.83 179.35 3aha h GLN 52 N 1.10 1.08 -0.26 1.46 5.75 -0.68 0.13 115.11 123.69 3aha h GLN 52 Ca 0.30 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3aha h GLN 52 Cb -0.12 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3aha h GLN 52 CO -0.07 0.99 0.07 0.45 -2.65 0.00 0.00 178.83 177.62 3aha h HIS 53 N 1.01 0.11 -0.61 3.99 3.86 -0.78 -0.36 115.15 122.37 3aha h HIS 53 Ca 0.20 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3aha h HIS 53 Cb 0.44 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3aha h HIS 53 CO 0.03 0.04 0.26 1.25 0.86 0.00 0.00 177.93 180.38 3aha h LEU 54 N 0.17 0.83 -0.31 2.43 5.85 -0.95 -1.38 115.31 121.96 3aha h LEU 54 Ca 0.12 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3aha h LEU 54 Cb 0.10 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3aha h LEU 54 CO -0.14 0.75 -0.05 0.25 -0.34 0.00 0.00 178.44 178.92 3aha h LEU 55 N 0.85 -0.22 -1.46 2.25 7.12 -0.48 -1.33 115.31 122.04 3aha h LEU 55 Ca 0.21 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.27 3aha h LEU 55 Cb 0.17 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 3aha h LEU 55 CO -0.02 -0.07 0.05 1.56 -0.13 0.00 0.00 178.44 179.83 3aha h GLN 56 N 0.03 0.41 -0.71 1.25 1.08 -0.48 -0.69 115.11 116.02 3aha h GLN 56 Ca 0.15 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3aha h GLN 56 Cb 0.22 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3aha h GLN 56 CO -0.29 0.40 0.33 -0.07 -0.95 0.00 0.00 178.83 178.25 3aha h LEU 57 N 0.41 0.93 -0.87 1.46 3.38 -0.69 -1.78 115.31 118.15 3aha h LEU 57 Ca 0.10 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3aha h LEU 57 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3aha h LEU 57 CO -0.00 0.80 -0.25 0.71 0.09 0.00 0.00 178.44 179.79 3aha h THR 58 N 0.99 1.27 -0.40 0.22 1.35 -0.06 -1.65 112.91 114.63 3aha h THR 58 Ca 0.24 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 3aha h THR 58 Cb 0.13 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 3aha h THR 58 CO -0.03 0.42 0.23 0.58 -0.25 0.00 0.00 175.52 176.46 3aha h VAL 59 N 0.48 1.14 -0.23 6.82 2.07 -1.01 -0.46 116.25 125.07 3aha h VAL 59 Ca 0.07 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3aha h VAL 59 Cb 0.70 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3aha h VAL 59 CO 0.05 0.15 -0.03 -0.25 0.02 0.00 0.00 177.57 177.50 3aha h TRP 60 N 0.51 -0.08 -0.42 1.57 7.01 -1.00 -1.08 115.95 122.47 3aha h TRP 60 Ca 0.14 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3aha h TRP 60 Cb 0.04 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3aha h TRP 60 CO -0.03 -0.07 0.22 0.78 -2.79 0.00 0.00 178.44 176.55 3aha h GLY 61 N 0.03 0.58 1.00 2.65 0.00 -1.01 -1.26 103.07 105.05 3aha h GLY 61 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3aha h GLY 61 CO -0.22 0.13 0.32 -2.22 0.00 0.00 0.00 176.54 174.55 3aha h ILE 62 N 0.45 1.14 -0.50 2.60 2.04 -0.88 -1.98 117.51 120.37 3aha h ILE 62 Ca 0.17 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3aha h ILE 62 Cb 0.06 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3aha h ILE 62 CO -0.11 0.13 0.24 0.11 0.00 0.00 0.00 178.15 178.53 3aha h LYS 63 N 0.67 0.70 -0.21 2.37 1.57 -0.76 -0.26 116.57 120.65 3aha h LYS 63 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3aha h LYS 63 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3aha h LYS 63 CO -0.04 0.55 -0.11 1.96 -0.57 0.00 0.00 179.45 181.24 3aha h GLN 64 N 0.70 0.44 -0.59 3.15 1.08 -0.87 -1.55 115.11 117.47 3aha h GLN 64 Ca 0.18 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 3aha h GLN 64 Cb 0.08 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3aha h GLN 64 CO -0.02 0.73 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.48 3aha h LEU 65 N 0.13 1.05 -0.42 1.46 3.38 -1.14 -2.26 115.31 117.53 3aha h LEU 65 Ca 0.05 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3aha h LEU 65 Cb 0.60 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3aha h LEU 65 CO 0.03 1.12 0.23 -0.61 0.09 0.00 0.00 178.44 179.30 3aha h GLN 66 N 0.96 0.58 -0.80 1.13 -0.00 -0.98 -1.99 115.11 114.01 3aha h GLN 66 Ca 0.16 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.78 3aha h GLN 66 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 27.92 3aha h GLN 66 CO 0.04 0.46 0.52 0.00 0.00 0.00 0.00 178.83 179.85 3aha h ALA 67 N 1.09 1.51 -0.18 3.38 0.00 -1.09 -2.66 119.26 121.30 3aha h ALA 67 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3aha h ALA 67 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3aha h ALA 67 CO -0.02 0.42 -0.48 0.00 0.00 0.00 0.00 179.25 179.17 3aha h ARG 68 N 0.99 0.47 -0.01 0.00 2.47 -0.89 -3.51 114.38 113.90 3aha h ARG 68 Ca 0.31 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3aha h ARG 68 Cb 0.02 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3aha h ARG 68 CO -0.09 0.85 0.00 -0.89 0.56 0.00 0.00 179.97 180.40