#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5f h TRP 2 N 0.00 0.96 -0.41 4.31 2.91 -2.05 -1.35 115.95 120.32 3h5f h TRP 2 Ca 0.00 -0.08 -0.10 0.00 1.13 0.00 0.00 58.89 59.84 3h5f h TRP 2 Cb 0.00 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.35 3h5f h TRP 2 CO 0.00 0.77 -0.15 0.93 -1.03 0.00 0.00 178.44 178.96 3h5f h GLU 3 N 0.87 0.75 -0.73 2.65 3.07 -2.05 0.27 114.58 119.41 3h5f h GLU 3 Ca 0.21 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3h5f h GLU 3 Cb 0.23 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3h5f h GLU 3 CO -0.01 0.86 0.20 0.00 -1.40 0.00 0.00 179.01 178.66 3h5f h ALA 4 N 1.16 0.96 -0.34 3.43 0.00 -1.94 -1.36 119.26 121.17 3h5f h ALA 4 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3h5f h ALA 4 Cb 0.63 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h5f h ALA 4 CO 0.04 0.66 0.08 -0.07 0.00 0.00 0.00 179.25 179.96 3h5f h LEU 5 N 1.09 0.51 -0.60 0.00 4.07 -0.91 -0.79 115.31 118.69 3h5f h LEU 5 Ca 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3h5f h LEU 5 Cb 0.34 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 3h5f h LEU 5 CO -0.00 0.61 0.34 -0.33 -1.08 0.00 0.00 178.44 177.98 3h5f h GLU 6 N 0.39 0.82 -0.71 1.13 5.08 -0.77 -1.19 114.58 119.34 3h5f h GLU 6 Ca 0.11 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3h5f h GLU 6 Cb 0.30 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3h5f h GLU 6 CO 0.00 0.61 0.44 -0.22 -1.00 0.00 0.00 179.01 178.84 3h5f h LYS 7 N 0.81 0.82 -0.59 2.33 3.64 -1.02 -0.51 116.57 122.05 3h5f h LYS 7 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3h5f h LYS 7 Cb 0.02 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3h5f h LYS 7 CO -0.04 0.54 0.38 0.87 -2.27 0.00 0.00 179.45 178.94 3h5f h LYS 8 N 0.85 0.79 -0.57 1.90 1.57 -0.87 0.19 116.57 120.43 3h5f h LYS 8 Ca 0.29 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3h5f h LYS 8 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3h5f h LYS 8 CO -0.12 0.54 0.17 1.25 -0.57 0.00 0.00 179.45 180.71 3h5f h LEU 9 N 0.81 0.83 -0.52 2.94 5.85 -0.89 -0.26 115.31 124.07 3h5f h LEU 9 Ca 0.22 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3h5f h LEU 9 Cb -0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3h5f h LEU 9 CO -0.05 0.83 0.20 0.00 -0.34 0.00 0.00 178.44 179.08 3h5f h ALA 10 N 1.04 0.68 -0.58 1.25 0.00 -0.86 0.13 119.26 120.91 3h5f h ALA 10 Ca 0.18 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3h5f h ALA 10 Cb 0.30 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3h5f h ALA 10 CO -0.00 0.30 0.22 0.00 0.00 0.00 0.00 179.25 179.76 3h5f h ALA 11 N 1.05 0.74 -0.39 0.00 0.00 -0.37 -2.03 119.26 118.25 3h5f h ALA 11 Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3h5f h ALA 11 Cb 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3h5f h ALA 11 CO -0.01 -0.19 0.16 -0.07 0.00 0.00 0.00 179.25 179.13 3h5f h LEU 12 N 0.40 0.54 -0.54 0.00 3.38 -0.66 -0.78 115.31 117.65 3h5f h LEU 12 Ca 0.29 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3h5f h LEU 12 Cb 0.34 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3h5f h LEU 12 CO -0.29 0.56 0.06 -0.33 0.09 0.00 0.00 178.44 178.54 3h5f h GLU 13 N 0.49 0.18 -0.90 1.13 5.08 -0.81 -2.30 114.58 117.44 3h5f h GLU 13 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3h5f h GLU 13 Cb 0.19 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3h5f h GLU 13 CO -0.01 0.12 0.52 1.03 -1.00 0.00 0.00 179.01 179.67 3h5f h SER 14 N 0.19 1.10 0.00 1.42 0.87 -0.98 -1.57 113.55 114.58 3h5f h SER 14 Ca 0.27 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3h5f h SER 14 Cb 0.40 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3h5f h SER 14 CO -0.40 0.86 0.00 0.29 -0.53 0.00 0.00 176.83 177.06 3h5f n LYS 15 N -4.35 0.58 0.00 2.24 5.02 -0.33 -1.91 118.16 119.40 3h5f n LYS 15 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3h5f n LYS 15 Cb 0.08 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3h5f n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h5f n GLN 17 N 0.67 0.00 -0.21 1.97 1.13 -0.59 -1.38 117.38 118.97 3h5f n GLN 17 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3h5f n GLN 17 Cb 0.28 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.67 3h5f n GLN 17 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h5f h ALA 18 N 0.00 0.76 -0.24 -1.58 0.00 -1.65 -2.19 119.26 114.36 3h5f h ALA 18 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3h5f h ALA 18 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h5f h ALA 18 CO 0.00 0.13 -0.35 -0.07 0.00 0.00 0.00 179.25 178.96 3h5f h LEU 19 N 0.74 0.55 -0.85 0.00 3.38 -1.50 -0.92 115.31 116.71 3h5f h LEU 19 Ca 0.23 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3h5f h LEU 19 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3h5f h LEU 19 CO -0.08 0.85 -0.13 -0.08 0.09 0.00 0.00 178.44 179.09 3h5f h GLU 20 N 0.44 0.71 -0.20 1.13 4.81 -1.75 -0.53 114.58 119.19 3h5f h GLU 20 Ca 0.05 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 58.84 3h5f h GLU 20 Cb 0.82 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3h5f h GLU 20 CO 0.07 0.81 -0.66 0.87 -0.73 0.00 0.00 179.01 179.37 3h5f h LYS 21 N 0.64 0.76 -0.28 1.92 1.57 -1.04 -1.09 116.57 119.05 3h5f h LYS 21 Ca 0.11 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 3h5f h LYS 21 Cb 0.59 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3h5f h LYS 21 CO 0.04 1.17 0.15 -0.22 -0.57 0.00 0.00 179.45 180.03 3h5f h LYS 22 N 0.55 0.31 -0.62 3.15 3.64 -0.89 -2.11 116.57 120.60 3h5f h LYS 22 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h5f h LYS 22 Cb 1.27 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 3h5f h LYS 22 CO 0.14 0.21 0.39 1.25 -2.27 0.00 0.00 179.45 179.17 3h5f h LEU 23 N 0.32 0.72 -0.66 5.20 5.85 -1.01 -1.50 115.31 124.23 3h5f h LEU 23 Ca 0.11 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3h5f h LEU 23 Cb 0.01 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 3h5f h LEU 23 CO -0.06 0.54 0.26 -0.33 -0.34 0.00 0.00 178.44 178.51 3h5f h GLU 24 N 0.84 0.43 -0.27 1.25 4.39 -0.86 -0.60 114.58 119.75 3h5f h GLU 24 Ca 0.22 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.93 3h5f h GLU 24 Cb -0.06 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 3h5f h GLU 24 CO -0.05 0.28 0.09 0.00 -1.16 0.00 0.00 179.01 178.18 3h5f h ALA 25 N 1.46 0.31 -0.67 3.43 0.00 -0.81 -2.28 119.26 120.70 3h5f h ALA 25 Ca 0.34 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3h5f h ALA 25 Cb 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h5f h ALA 25 CO -0.33 -0.31 0.44 -0.07 0.00 0.00 0.00 179.25 178.98 3h5f h LEU 26 N 0.22 0.74 -1.41 0.00 4.07 -0.63 -1.96 115.31 116.33 3h5f h LEU 26 Ca 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 3h5f h LEU 26 Cb 0.09 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3h5f h LEU 26 CO -0.12 0.52 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.18 3h5f h GLU 27 N 0.86 0.08 -0.69 1.13 5.08 -0.56 -1.95 114.58 118.53 3h5f h GLU 27 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3h5f h GLU 27 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3h5f h GLU 27 CO -0.06 0.32 0.00 0.72 -1.00 0.00 0.00 179.01 178.99 3h5f n HIS 28 N -4.22 1.22 0.00 4.33 8.25 -0.78 -5.11 115.22 118.91 3h5f n HIS 28 Ca -0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3h5f n HIS 28 Cb 0.32 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3h5f n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39