#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he5 h ALA 1 N 0.00 0.31 -0.70 -0.43 0.00 -2.05 -3.15 119.26 113.24 3he5 h ALA 1 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 54.91 54.25 3he5 h ALA 1 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3he5 h ALA 1 CO 0.00 0.87 0.31 -0.09 0.00 0.00 0.00 179.25 180.35 3he5 h ARG 2 N 0.17 0.50 -0.49 0.00 2.43 -2.05 0.14 114.38 115.08 3he5 h ARG 2 Ca -0.09 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 3he5 h ARG 2 Cb 1.69 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.10 3he5 h ARG 2 CO 0.17 0.33 0.07 -0.91 -1.51 0.00 0.00 179.97 178.12 3he5 h ASN 3 N 0.52 0.79 -0.28 -3.80 2.35 -1.99 -0.54 115.58 112.63 3he5 h ASN 3 Ca 0.36 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3he5 h ASN 3 Cb 0.44 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3he5 h ASN 3 CO -0.31 0.86 -0.22 0.00 -1.65 0.00 0.00 177.43 176.11 3he5 h ALA 4 N 0.96 0.90 -0.26 -0.83 0.00 -1.38 -0.92 119.26 117.72 3he5 h ALA 4 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3he5 h ALA 4 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3he5 h ALA 4 CO 0.01 0.62 0.12 -0.92 0.00 0.00 0.00 179.25 179.09 3he5 h TYR 5 N 0.66 0.38 -0.34 0.00 3.20 -0.49 -2.02 116.97 118.37 3he5 h TYR 5 Ca 0.09 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3he5 h TYR 5 Cb 0.72 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3he5 h TYR 5 CO 0.04 0.37 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.47 3he5 h LEU 6 N 0.28 0.91 -0.20 2.82 3.38 -0.97 -0.16 115.31 121.37 3he5 h LEU 6 Ca 0.09 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3he5 h LEU 6 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3he5 h LEU 6 CO -0.01 1.21 0.12 0.03 0.09 0.00 0.00 178.44 179.88 3he5 h ARG 7 N 0.64 0.24 -0.39 1.13 3.08 -1.18 0.14 114.38 118.03 3he5 h ARG 7 Ca 0.05 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3he5 h ARG 7 Cb 0.97 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3he5 h ARG 7 CO 0.09 0.16 -0.05 0.87 -1.07 0.00 0.00 179.97 179.97 3he5 h LYS 8 N 0.25 0.64 -0.43 0.04 1.57 -1.26 -1.02 116.57 116.37 3he5 h LYS 8 Ca 0.08 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3he5 h LYS 8 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3he5 h LYS 8 CO -0.04 0.70 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.23 3he5 h LYS 9 N 0.60 0.82 -0.77 3.15 1.63 -0.78 -2.43 116.57 118.78 3he5 h LYS 9 Ca 0.12 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3he5 h LYS 9 Cb 0.45 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 3he5 h LYS 9 CO 0.02 0.94 0.42 0.82 -3.45 0.00 0.00 179.45 178.20 3he5 h ILE 10 N 0.65 1.23 0.00 2.00 2.04 -0.45 -1.46 117.51 121.52 3he5 h ILE 10 Ca 0.11 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3he5 h ILE 10 Cb 0.63 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3he5 h ILE 10 CO 0.04 0.26 -0.19 0.00 0.00 0.00 0.00 178.15 178.27 3he5 h ALA 11 N 1.22 1.60 0.12 1.87 0.00 -1.03 -2.03 119.26 121.01 3he5 h ALA 11 Ca 0.27 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 3he5 h ALA 11 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3he5 h ALA 11 CO -0.04 0.23 -1.31 0.00 0.00 0.00 0.00 179.25 178.13 3he5 h ARG 12 N 0.00 0.25 -0.34 0.00 3.08 -0.93 -3.11 114.38 113.33 3he5 h ARG 12 Ca -0.00 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.54 3he5 h ARG 12 Cb 0.35 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3he5 h ARG 12 CO 0.02 1.17 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.89 3he5 h LEU 13 N 0.07 0.58 -0.60 3.04 3.38 -0.91 0.32 115.31 121.18 3he5 h LEU 13 Ca -0.16 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 3he5 h LEU 13 Cb 1.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3he5 h LEU 13 CO 0.19 0.74 -0.45 0.11 0.09 0.00 0.00 178.44 179.12 3he5 h LYS 14 N 0.54 0.00 0.01 1.13 1.57 -1.48 0.74 116.57 119.09 3he5 h LYS 14 Ca 0.10 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 3he5 h LYS 14 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3he5 h LYS 14 CO 0.03 0.45 -1.02 0.87 -0.57 0.00 0.00 179.45 179.22 3he5 h LYS 15 N 0.00 0.03 -0.29 3.15 1.57 -1.35 -2.52 116.57 117.16 3he5 h LYS 15 Ca -0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3he5 h LYS 15 Cb 1.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3he5 h LYS 15 CO 0.06 1.02 0.03 -0.44 -0.57 0.00 0.00 179.45 179.55 3he5 h ASP 16 N 0.01 0.48 -0.21 0.86 3.32 -0.16 -2.74 116.42 117.97 3he5 h ASP 16 Ca -0.02 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.76 3he5 h ASP 16 Cb 1.78 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 41.19 3he5 h ASP 16 CO 0.14 0.64 0.11 -1.13 -1.72 0.00 0.00 179.24 177.27 3he5 h ASN 17 N 0.30 0.17 -0.90 6.45 -0.73 -0.90 -1.35 115.58 118.62 3he5 h ASN 17 Ca 0.09 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.31 3he5 h ASN 17 Cb 0.37 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.88 3he5 h ASN 17 CO 0.01 0.13 0.59 -0.07 -0.37 0.00 0.00 177.43 177.71 3he5 h LEU 18 N 0.23 0.92 -0.35 0.34 3.38 -1.47 -1.14 115.31 117.23 3he5 h LEU 18 Ca 0.08 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3he5 h LEU 18 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3he5 h LEU 18 CO -0.05 0.61 -0.26 -0.61 0.09 0.00 0.00 178.44 178.22 3he5 h GLN 19 N 1.06 0.81 -0.19 1.13 5.75 -1.13 -2.16 115.11 120.37 3he5 h GLN 19 Ca 0.37 -0.39 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3he5 h GLN 19 Cb 0.12 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3he5 h GLN 19 CO -0.13 1.02 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.98 3he5 h LEU 20 N 0.59 0.25 -0.32 -2.39 3.38 -0.83 0.16 115.31 116.15 3he5 h LEU 20 Ca 0.07 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3he5 h LEU 20 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3he5 h LEU 20 CO 0.07 0.33 -0.02 -0.33 0.09 0.00 0.00 178.44 178.57 3he5 h GLU 21 N 0.27 0.59 -0.68 1.13 5.08 -1.00 -1.06 114.58 118.91 3he5 h GLU 21 Ca 0.06 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3he5 h GLU 21 Cb 0.23 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3he5 h GLU 21 CO 0.01 0.73 0.32 0.00 -1.00 0.00 0.00 179.01 179.07 3he5 h ARG 22 N 0.38 0.99 -0.45 2.33 3.08 -0.78 -2.05 114.38 117.88 3he5 h ARG 22 Ca 0.09 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3he5 h ARG 22 Cb 0.48 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 3he5 h ARG 22 CO 0.02 0.79 0.09 -0.44 -1.07 0.00 0.00 179.97 179.36 3he5 h ASP 23 N 0.95 0.01 -0.14 7.04 3.32 -0.52 -2.01 116.42 125.07 3he5 h ASP 23 Ca 0.23 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3he5 h ASP 23 Cb 0.13 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3he5 h ASP 23 CO -0.03 0.04 0.07 -0.08 -1.72 0.00 0.00 179.24 177.52 3he5 h GLU 24 N 0.22 0.21 -0.83 3.56 4.81 -0.88 0.11 114.58 121.78 3he5 h GLU 24 Ca 0.22 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3he5 h GLU 24 Cb 0.28 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 3he5 h GLU 24 CO -0.29 0.26 0.50 1.96 -0.73 0.00 0.00 179.01 180.71 3he5 h GLN 25 N 0.11 0.86 0.00 1.92 1.08 -1.20 -0.33 115.11 117.54 3he5 h GLN 25 Ca 0.05 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 3he5 h GLN 25 Cb 0.12 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3he5 h GLN 25 CO -0.01 0.57 -0.48 -0.91 -0.95 0.00 0.00 178.83 177.05 3he5 h ASN 26 N 0.88 0.00 -0.20 1.46 2.35 -1.16 -2.32 115.58 116.59 3he5 h ASN 26 Ca 0.38 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.92 3he5 h ASN 26 Cb 0.25 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 3he5 h ASN 26 CO -0.20 0.48 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.30 3he5 h LEU 27 N 0.00 0.95 -0.63 1.61 3.38 -0.35 -1.67 115.31 118.60 3he5 h LEU 27 Ca -0.00 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 3he5 h LEU 27 Cb 1.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3he5 h LEU 27 CO 0.06 1.39 0.24 -0.33 0.09 0.00 0.00 178.44 179.89 3he5 h GLU 28 N 0.57 0.95 -0.30 1.13 5.08 -1.08 -1.19 114.58 119.76 3he5 h GLU 28 Ca -0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3he5 h GLU 28 Cb 1.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3he5 h GLU 28 CO 0.15 0.81 0.14 0.87 -1.00 0.00 0.00 179.01 179.98 3he5 h LYS 29 N 0.89 0.43 -0.85 2.33 1.57 -1.38 0.11 116.57 119.67 3he5 h LYS 29 Ca 0.21 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 3he5 h LYS 29 Cb 0.23 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3he5 h LYS 29 CO -0.01 0.41 0.50 0.82 -0.57 0.00 0.00 179.45 180.60 3he5 h ILE 30 N 0.35 0.95 -0.15 1.86 2.04 -1.22 -1.95 117.51 119.38 3he5 h ILE 30 Ca 0.10 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3he5 h ILE 30 Cb 0.12 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3he5 h ILE 30 CO -0.01 0.16 -0.08 0.40 0.00 0.00 0.00 178.15 178.61 3he5 h ILE 31 N 0.86 1.32 -0.72 -0.67 2.04 -0.73 -1.04 117.51 118.57 3he5 h ILE 31 Ca 0.40 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3he5 h ILE 31 Cb 0.32 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3he5 h ILE 31 CO -0.23 0.33 0.46 0.00 0.00 0.00 0.00 178.15 178.72 3he5 h ALA 32 N 0.66 1.46 -0.24 1.87 0.00 -0.87 -0.27 119.26 121.89 3he5 h ALA 32 Ca 0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3he5 h ALA 32 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3he5 h ALA 32 CO 0.02 0.49 -0.52 -0.91 0.00 0.00 0.00 179.25 178.33 3he5 h ASN 33 N 0.98 0.74 -0.07 0.00 2.35 -1.22 -1.15 115.58 117.21 3he5 h ASN 33 Ca 0.26 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 3he5 h ASN 33 Cb -0.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 3he5 h ASN 33 CO -0.05 1.12 -0.44 -0.07 -1.65 0.00 0.00 177.43 176.34 3he5 h LEU 34 N 0.52 0.65 -0.49 1.61 3.38 -0.77 -1.45 115.31 118.77 3he5 h LEU 34 Ca 0.02 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3he5 h LEU 34 Cb 1.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3he5 h LEU 34 CO 0.11 1.00 0.08 0.03 0.09 0.00 0.00 178.44 179.75 3he5 h ARG 35 N 0.49 0.81 0.35 1.13 3.08 -0.99 -0.72 114.38 118.54 3he5 h ARG 35 Ca 0.03 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3he5 h ARG 35 Cb 0.96 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3he5 h ARG 35 CO 0.09 0.81 -0.33 0.22 -1.07 0.00 0.00 179.97 179.69 3he5 h ASP 36 N 0.69 -0.89 -0.57 7.04 3.58 -1.15 -1.95 116.42 123.16 3he5 h ASP 36 Ca 0.15 0.08 0.11 0.00 0.42 0.00 0.00 57.03 57.79 3he5 h ASP 36 Cb 0.39 0.30 -0.09 0.00 1.72 0.00 0.00 39.33 41.65 3he5 h ASP 36 CO 0.01 -0.47 0.02 -0.08 -2.88 0.00 0.00 179.24 175.84 3he5 h GLU 37 N -0.71 0.14 -0.98 0.28 4.81 -1.01 -0.20 114.58 116.91 3he5 h GLU 37 Ca -0.02 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3he5 h GLU 37 Cb 0.63 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 3he5 h GLU 37 CO -0.05 0.09 0.65 0.82 -0.73 0.00 0.00 179.01 179.79 3he5 h ILE 38 N 0.14 1.23 -0.62 2.32 2.04 -1.07 -0.90 117.51 120.65 3he5 h ILE 38 Ca 0.30 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3he5 h ILE 38 Cb 0.46 -0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3he5 h ILE 38 CO -0.47 0.24 0.38 0.00 0.00 0.00 0.00 178.15 178.30 3he5 h ALA 39 N 1.37 0.81 -0.01 1.87 0.00 -0.27 -0.79 119.26 122.25 3he5 h ALA 39 Ca 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3he5 h ALA 39 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3he5 h ALA 39 CO -0.09 0.11 -0.69 0.00 0.00 0.00 0.00 179.25 178.58 3he5 h ARG 40 N 0.74 0.06 -0.21 0.00 3.08 -0.63 -2.70 114.38 114.72 3he5 h ARG 40 Ca 0.25 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.06 3he5 h ARG 40 Cb 0.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3he5 h ARG 40 CO -0.11 0.72 -0.65 -0.07 -1.07 0.00 0.00 179.97 178.79 3he5 h LEU 41 N 0.04 0.87 -2.01 3.04 3.38 -1.02 -2.97 115.31 116.64 3he5 h LEU 41 Ca -0.01 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.49 3he5 h LEU 41 Cb 1.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3he5 h LEU 41 CO 0.09 1.30 0.10 -0.33 0.09 0.00 0.00 178.44 179.69 3he5 h GLU 42 N 0.55 0.00 0.00 1.13 5.08 -0.98 -0.44 114.58 119.92 3he5 h GLU 42 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3he5 h GLU 42 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3he5 h GLU 42 CO 0.13 0.00 -0.68 -0.91 -1.00 0.00 0.00 179.01 176.55 3he5 h ASN 43 N 0.00 0.00 -0.25 1.42 2.35 -1.37 -3.02 115.58 114.72 3he5 h ASN 43 Ca 0.07 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3he5 h ASN 43 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3he5 h ASN 43 CO -0.00 0.68 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.77 3he5 h GLU 44 N 0.00 0.78 -0.31 0.81 4.39 -0.94 -3.03 114.58 116.28 3he5 h GLU 44 Ca -0.01 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 3he5 h GLU 44 Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3he5 h GLU 44 CO 0.09 1.01 0.12 -0.39 -1.16 0.00 0.00 179.01 178.67 3he5 h VAL 45 N 0.64 1.19 0.00 3.13 -1.51 -1.49 -3.52 116.25 114.69 3he5 h VAL 45 Ca 0.06 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3he5 h VAL 45 Cb 0.91 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3he5 h VAL 45 CO 0.08 0.20 0.00 0.00 -1.23 0.00 0.00 177.57 176.62