#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htu n SER 11 N 0.00 -0.04 -1.13 1.61 2.88 -1.26 0.15 113.62 115.83 3htu n SER 11 Ca 0.00 0.63 0.08 0.00 -1.33 0.00 0.00 58.87 58.26 3htu n SER 11 Cb 0.00 -0.23 0.29 0.00 -0.75 0.00 0.00 64.21 63.52 3htu n SER 11 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3htu n ARG 12 N -4.33 3.40 -4.43 -1.46 1.74 -1.26 -4.97 116.66 105.37 3htu n ARG 12 Ca 0.09 -2.88 -0.34 0.00 -0.77 0.00 0.00 57.85 53.96 3htu n ARG 12 Cb 0.30 -1.91 -0.12 0.00 -1.02 0.00 0.00 32.46 29.70 3htu n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3htu s VAL 13 N -2.68 3.85 0.47 1.55 1.01 0.39 -5.11 120.40 119.89 3htu s VAL 13 Ca 0.44 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3htu s VAL 13 Cb 0.35 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3htu s VAL 13 CO 0.11 0.50 0.65 0.42 0.00 0.00 0.00 175.10 176.79 3htu s THR 14 N 0.30 3.17 0.23 3.92 -4.23 -1.26 -4.05 115.64 113.71 3htu s THR 14 Ca -0.04 -0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 3htu s THR 14 Cb -0.14 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.76 3htu s THR 14 CO 0.03 -0.07 1.83 -0.08 -0.54 0.00 0.00 174.62 175.78 3htu h GLU 15 N 0.41 0.80 -0.74 3.99 4.81 -1.99 -2.39 114.58 119.48 3htu h GLU 15 Ca -0.43 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3htu h GLU 15 Cb 1.28 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 3htu h GLU 15 CO 0.51 0.53 0.47 0.37 -0.73 0.00 0.00 179.01 180.16 3htu h GLN 16 N 0.83 0.89 -0.49 1.92 4.15 -1.99 -0.98 115.11 119.44 3htu h GLN 16 Ca 0.35 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.75 3htu h GLN 16 Cb 0.22 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3htu h GLN 16 CO -0.19 0.59 0.28 -0.44 -1.93 0.00 0.00 178.83 177.14 3htu h ASP 17 N 0.92 0.43 -0.54 -0.69 3.32 -1.85 -0.55 116.42 117.46 3htu h ASP 17 Ca 0.29 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3htu h ASP 17 Cb -0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3htu h ASP 17 CO -0.10 0.31 -0.06 0.11 -1.72 0.00 0.00 179.24 177.77 3htu h LYS 18 N 0.55 1.01 -0.07 3.56 1.57 -0.92 -0.73 116.57 121.54 3htu h LYS 18 Ca 0.20 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3htu h LYS 18 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3htu h LYS 18 CO -0.11 1.03 0.03 0.00 -0.57 0.00 0.00 179.45 179.82 3htu h ALA 19 N 1.01 0.09 -0.27 3.86 0.00 -0.80 0.26 119.26 123.42 3htu h ALA 19 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3htu h ALA 19 Cb 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3htu h ALA 19 CO 0.04 -0.31 0.01 0.82 0.00 0.00 0.00 179.25 179.81 3htu h ILE 20 N -0.06 0.82 -0.92 0.00 1.08 -1.05 -2.14 117.51 115.23 3htu h ILE 20 Ca 0.02 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3htu h ILE 20 Cb 0.19 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.61 3htu h ILE 20 CO -0.00 0.02 0.61 0.25 -0.69 0.00 0.00 178.15 178.33 3htu h LEU 21 N 0.09 1.02 -0.47 1.44 7.12 -0.90 0.10 115.31 123.71 3htu h LEU 21 Ca 0.13 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 3htu h LEU 21 Cb 0.16 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 3htu h LEU 21 CO -0.21 0.71 0.28 1.56 -0.13 0.00 0.00 178.44 180.65 3htu h GLN 22 N 1.18 0.64 -0.76 1.25 4.20 -0.69 0.33 115.11 121.26 3htu h GLN 22 Ca 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 3htu h GLN 22 Cb -0.03 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3htu h GLN 22 CO -0.10 0.48 0.40 -0.07 -0.67 0.00 0.00 178.83 178.87 3htu h LEU 23 N 0.63 0.97 -1.00 1.46 3.38 -0.95 -2.39 115.31 117.40 3htu h LEU 23 Ca 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3htu h LEU 23 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3htu h LEU 23 CO -0.03 0.81 -0.06 0.11 0.09 0.00 0.00 178.44 179.35 3htu h LYS 24 N 1.06 0.65 -0.46 1.13 1.57 -0.48 -1.52 116.57 118.52 3htu h LYS 24 Ca 0.27 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3htu h LYS 24 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3htu h LYS 24 CO -0.04 0.71 -0.18 1.96 -0.57 0.00 0.00 179.45 181.33 3htu h GLN 25 N 0.60 0.91 0.22 3.15 1.08 -0.82 -0.71 115.11 119.55 3htu h GLN 25 Ca 0.11 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3htu h GLN 25 Cb 0.47 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3htu h GLN 25 CO 0.02 1.01 -0.11 1.96 -0.95 0.00 0.00 178.83 180.76 3htu h GLN 26 N 0.79 -0.29 -0.78 1.46 1.08 -1.21 -1.76 115.11 114.41 3htu h GLN 26 Ca 0.11 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.49 3htu h GLN 26 Cb 0.72 0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 28.07 3htu h GLN 26 CO 0.06 -0.12 -0.19 -0.09 -0.95 0.00 0.00 178.83 177.54 3htu h ARG 27 N -0.40 0.00 -0.71 1.46 2.43 -1.22 -1.76 114.38 114.18 3htu h ARG 27 Ca -0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3htu h ARG 27 Cb 0.30 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3htu h ARG 27 CO 0.05 0.00 0.25 -0.44 -1.51 0.00 0.00 179.97 178.32 3htu h ASP 28 N 0.00 0.99 -0.79 -3.80 3.32 -0.84 -0.19 116.42 115.12 3htu h ASP 28 Ca 0.37 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3htu h ASP 28 Cb 0.57 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3htu h ASP 28 CO -0.80 0.91 0.33 0.50 -1.72 0.00 0.00 179.24 178.46 3htu h LYS 29 N 1.04 1.16 -0.26 3.56 3.64 -0.67 -1.75 116.57 123.29 3htu h LYS 29 Ca 0.23 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 3htu h LYS 29 Cb 0.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3htu h LYS 29 CO -0.01 0.93 -0.60 -0.07 -2.27 0.00 0.00 179.45 177.43 3htu h LEU 30 N 1.13 0.97 -0.78 5.20 3.38 -0.97 -2.69 115.31 121.56 3htu h LEU 30 Ca 0.26 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3htu h LEU 30 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3htu h LEU 30 CO -0.02 1.35 0.50 0.03 0.09 0.00 0.00 178.44 180.38 3htu h ARG 31 N 0.65 0.96 -0.14 1.13 2.47 -0.83 0.87 114.38 119.49 3htu h ARG 31 Ca 0.00 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3htu h ARG 31 Cb 1.21 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 3htu h ARG 31 CO 0.13 0.63 0.08 1.96 0.56 0.00 0.00 179.97 183.34 3htu h GLN 32 N 0.99 0.19 -0.78 0.04 4.20 -1.28 0.12 115.11 118.59 3htu h GLN 32 Ca 0.30 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 3htu h GLN 32 Cb -0.03 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3htu h GLN 32 CO -0.10 0.18 0.36 1.88 -0.67 0.00 0.00 178.83 180.48 3htu h TYR 33 N 0.15 1.15 -0.19 2.96 0.05 -1.33 -1.74 116.97 118.03 3htu h TYR 33 Ca 0.05 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.81 3htu h TYR 33 Cb 0.04 -0.35 -0.05 0.00 1.01 0.00 0.00 36.73 37.38 3htu h TYR 33 CO -0.05 0.85 -0.13 1.96 -1.05 0.00 0.00 178.16 179.74 3htu h GLN 34 N 1.12 -0.12 -0.84 4.88 1.08 -0.33 -1.57 115.11 119.32 3htu h GLN 34 Ca 0.27 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.58 3htu h GLN 34 Cb 0.15 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.53 3htu h GLN 34 CO -0.03 -0.08 0.47 0.87 -0.95 0.00 0.00 178.83 179.11 3htu h LYS 35 N -0.13 0.75 -0.54 1.46 1.57 -0.48 -0.61 116.57 118.59 3htu h LYS 35 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3htu h LYS 35 Cb 0.29 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3htu h LYS 35 CO -0.27 0.49 0.35 0.00 -0.57 0.00 0.00 179.45 179.46 3htu h ARG 36 N 0.77 0.71 -0.42 3.15 2.47 -0.93 -2.69 114.38 117.44 3htu h ARG 36 Ca 0.41 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.07 3htu h ARG 36 Cb 0.42 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 3htu h ARG 36 CO -0.27 0.48 0.20 0.82 0.56 0.00 0.00 179.97 181.75 3htu h ILE 37 N 0.73 1.18 -0.95 2.04 2.04 -0.59 0.43 117.51 122.40 3htu h ILE 37 Ca 0.20 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.62 3htu h ILE 37 Cb -0.08 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 3htu h ILE 37 CO -0.04 0.20 0.61 0.00 0.00 0.00 0.00 178.15 178.92 3htu h ALA 38 N 1.04 1.52 0.00 1.87 0.00 -1.08 0.57 119.26 123.18 3htu h ALA 38 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3htu h ALA 38 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3htu h ALA 38 CO -0.02 0.30 -0.64 -0.56 0.00 0.00 0.00 179.25 178.33 3htu h GLN 39 N 1.02 0.00 -0.26 0.00 3.07 -1.22 -1.55 115.11 116.18 3htu h GLN 39 Ca 0.43 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.04 3htu h GLN 39 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.87 3htu h GLN 39 CO -0.18 0.64 -0.33 0.37 0.09 0.00 0.00 178.83 179.42 3htu h GLN 40 N 0.00 0.67 -0.67 0.06 4.15 -0.23 -1.68 115.11 117.42 3htu h GLN 40 Ca -0.01 -0.38 0.05 0.00 0.77 0.00 0.00 58.65 59.08 3htu h GLN 40 Cb 1.43 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.10 3htu h GLN 40 CO 0.08 1.00 0.38 -0.07 -1.93 0.00 0.00 178.83 178.29 3htu h LEU 41 N 0.40 0.58 -0.60 -2.39 3.38 0.19 -1.26 115.31 115.59 3htu h LEU 41 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3htu h LEU 41 Cb 0.91 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3htu h LEU 41 CO 0.08 0.38 0.28 -0.08 0.09 0.00 0.00 178.44 179.19 3htu h GLU 42 N 0.71 0.88 -0.41 1.13 4.22 -1.16 -1.12 114.58 118.81 3htu h GLU 42 Ca 0.29 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.52 3htu h GLU 42 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3htu h GLU 42 CO -0.17 0.72 -0.06 0.00 -2.18 0.00 0.00 179.01 177.32 3htu h ARG 43 N 0.83 0.71 -0.24 1.92 3.08 -1.00 -2.80 114.38 116.87 3htu h ARG 43 Ca 0.21 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3htu h ARG 43 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3htu h ARG 43 CO -0.02 0.76 -0.49 0.93 -1.07 0.00 0.00 179.97 180.08 3htu h GLU 44 N 0.65 0.66 0.00 0.04 4.39 -1.09 -3.51 114.58 115.72 3htu h GLU 44 Ca 0.12 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3htu h GLU 44 Cb 0.50 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3htu h GLU 44 CO 0.03 1.00 0.00 0.54 -1.16 0.00 0.00 179.01 179.41