#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 0.51 -0.83 4.31 2.91 -2.06 -2.21 115.95 118.58 3h5f h TRP 2 Ca 0.00 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.00 3h5f h TRP 2 Cb 0.00 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.45 3h5f h TRP 2 CO 0.00 0.46 0.55 0.93 -1.03 0.00 0.00 178.44 179.34 3h5f h GLU 3 N 0.42 1.08 -0.92 2.65 3.07 -2.05 -0.77 114.58 118.07 3h5f h GLU 3 Ca 0.12 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3h5f h GLU 3 Cb 0.15 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 3h5f h GLU 3 CO -0.01 0.71 0.56 0.00 -1.40 0.00 0.00 179.01 178.86 3h5f h ALA 4 N 1.31 1.25 -0.26 3.43 0.00 -1.93 -0.51 119.26 122.56 3h5f h ALA 4 Ca 0.31 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3h5f h ALA 4 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 3h5f h ALA 4 CO -0.08 0.64 -0.14 1.25 0.00 0.00 0.00 179.25 180.92 3h5f h LEU 5 N 1.26 0.57 -0.71 0.00 5.85 -0.86 -1.34 115.31 120.08 3h5f h LEU 5 Ca 0.33 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3h5f h LEU 5 Cb -0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3h5f h LEU 5 CO -0.06 0.86 0.47 -0.33 -0.34 0.00 0.00 178.44 179.04 3h5f h GLU 6 N 0.28 0.93 -0.84 1.25 5.08 -1.02 -1.68 114.58 118.58 3h5f h GLU 6 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3h5f h GLU 6 Cb 0.66 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3h5f h GLU 6 CO 0.04 0.61 0.44 0.87 -1.00 0.00 0.00 179.01 179.98 3h5f h LYS 7 N 0.95 1.18 -0.36 2.33 1.57 -0.98 -0.87 116.57 120.38 3h5f h LYS 7 Ca 0.26 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3h5f h LYS 7 Cb -0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3h5f h LYS 7 CO -0.06 0.87 -0.22 0.87 -0.57 0.00 0.00 179.45 180.34 3h5f h LYS 8 N 1.17 0.79 -0.50 3.15 1.57 -1.04 -0.05 116.57 121.67 3h5f h LYS 8 Ca 0.29 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3h5f h LYS 8 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3h5f h LYS 8 CO -0.04 0.99 0.23 1.25 -0.57 0.00 0.00 179.45 181.30 3h5f h LEU 9 N 0.58 0.66 -0.52 2.94 5.85 -1.13 -0.03 115.31 123.65 3h5f h LEU 9 Ca 0.07 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3h5f h LEU 9 Cb 0.78 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3h5f h LEU 9 CO 0.06 0.61 0.33 0.00 -0.34 0.00 0.00 178.44 179.10 3h5f h ALA 10 N 1.07 0.66 -0.61 1.25 0.00 -1.04 0.38 119.26 120.98 3h5f h ALA 10 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3h5f h ALA 10 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h5f h ALA 10 CO -0.02 0.06 0.24 0.00 0.00 0.00 0.00 179.25 179.52 3h5f h ALA 11 N 1.21 0.79 -0.75 0.00 0.00 -0.70 -2.28 119.26 117.52 3h5f h ALA 11 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h5f h ALA 11 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3h5f h ALA 11 CO -0.07 0.41 0.39 -0.07 0.00 0.00 0.00 179.25 179.91 3h5f h LEU 12 N 0.85 0.96 -1.05 0.00 3.38 -0.69 -0.77 115.31 117.99 3h5f h LEU 12 Ca 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h5f h LEU 12 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3h5f h LEU 12 CO -0.02 0.80 0.52 -0.33 0.09 0.00 0.00 178.44 179.50 3h5f h GLU 13 N 1.05 1.17 -0.32 1.13 5.08 -0.70 -2.63 114.58 119.36 3h5f h GLU 13 Ca 0.26 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 3h5f h GLU 13 Cb 0.07 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3h5f h GLU 13 CO -0.04 0.82 -0.43 0.77 -1.00 0.00 0.00 179.01 179.13 3h5f h SER 14 N 1.19 0.93 0.00 1.42 0.02 -1.03 -2.81 113.55 113.26 3h5f h SER 14 Ca 0.31 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3h5f h SER 14 Cb -0.05 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.23 3h5f h SER 14 CO -0.06 1.25 0.00 0.29 -1.14 0.00 0.00 176.83 177.17 3h5f n LYS 15 N -4.09 0.08 0.00 3.45 5.02 -0.33 -1.42 118.16 120.87 3h5f n LYS 15 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3h5f n LYS 15 Cb 0.57 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.97 0.00 -0.17 1.97 6.02 -1.06 -0.99 117.38 124.11 3h5f n GLN 17 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3h5f n GLN 17 Cb 0.04 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.31 3h5f n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h5f h ALA 18 N 0.00 0.63 -0.54 -1.58 0.00 -1.53 -1.69 119.26 114.55 3h5f h ALA 18 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3h5f h ALA 18 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3h5f h ALA 18 CO 0.00 0.13 -0.09 -0.07 0.00 0.00 0.00 179.25 179.22 3h5f h LEU 19 N 0.65 0.99 -0.64 0.00 4.07 -1.33 -1.80 115.31 117.25 3h5f h LEU 19 Ca 0.17 -0.31 -0.10 0.00 0.08 0.00 0.00 57.88 57.72 3h5f h LEU 19 Cb 0.03 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 3h5f h LEU 19 CO -0.03 1.09 -0.01 -0.08 -1.08 0.00 0.00 178.44 178.32 3h5f h GLU 20 N 0.89 1.05 -0.24 1.13 4.57 -1.80 -1.01 114.58 119.17 3h5f h GLU 20 Ca 0.14 -0.34 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 3h5f h GLU 20 Cb 0.64 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 3h5f h GLU 20 CO 0.04 1.04 -0.12 -0.22 -1.18 0.00 0.00 179.01 178.57 3h5f h LYS 21 N 0.96 -0.09 -0.48 1.92 3.64 -1.06 -1.28 116.57 120.18 3h5f h LYS 21 Ca 0.17 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3h5f h LYS 21 Cb 0.57 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3h5f h LYS 21 CO 0.03 -0.06 0.05 0.87 -2.27 0.00 0.00 179.45 178.07 3h5f h LYS 22 N -0.09 0.76 -0.41 1.90 1.57 -1.10 -1.60 116.57 117.58 3h5f h LYS 22 Ca 0.13 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3h5f h LYS 22 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3h5f h LYS 22 CO -0.30 0.73 0.10 1.25 -0.57 0.00 0.00 179.45 180.66 3h5f h LEU 23 N 0.72 0.63 -0.68 2.94 5.85 -0.91 -1.46 115.31 122.40 3h5f h LEU 23 Ca 0.15 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3h5f h LEU 23 Cb 0.37 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3h5f h LEU 23 CO 0.01 0.71 0.22 -0.33 -0.34 0.00 0.00 178.44 178.71 3h5f h GLU 24 N 0.53 1.05 -0.43 1.25 4.39 -1.01 -0.62 114.58 119.73 3h5f h GLU 24 Ca 0.13 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3h5f h GLU 24 Cb 0.32 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3h5f h GLU 24 CO 0.00 0.90 0.29 0.00 -1.16 0.00 0.00 179.01 179.04 3h5f h ALA 25 N 1.10 0.55 -0.68 3.43 0.00 -1.13 -1.97 119.26 120.56 3h5f h ALA 25 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h5f h ALA 25 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h5f h ALA 25 CO -0.01 0.00 0.36 1.25 0.00 0.00 0.00 179.25 180.85 3h5f h LEU 26 N 0.59 0.86 -0.23 0.00 5.85 -1.03 0.13 115.31 121.48 3h5f h LEU 26 Ca 0.16 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3h5f h LEU 26 Cb -0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3h5f h LEU 26 CO -0.04 0.73 0.01 -0.08 -0.34 0.00 0.00 178.44 178.72 3h5f h GLU 27 N 0.93 0.40 0.00 1.25 4.81 -0.97 -3.35 114.58 117.66 3h5f h GLU 27 Ca 0.24 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3h5f h GLU 27 Cb 0.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3h5f h GLU 27 CO -0.04 0.57 -1.57 0.72 -0.73 0.00 0.00 179.01 177.97 3h5f n HIS 28 N -4.67 0.00 0.86 0.92 8.25 -0.75 -5.10 115.22 114.73 3h5f n HIS 28 Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.53 3h5f n HIS 28 Cb 0.23 -0.31 0.09 0.00 1.12 0.00 0.00 29.99 31.12 3h5f n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39