#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5g h TRP 2 N 0.00 0.44 -0.65 -0.32 -0.00 -2.05 -2.22 115.95 111.14 3h5g h TRP 2 Ca 0.00 -0.07 0.06 0.00 -0.00 0.00 0.00 58.89 58.88 3h5g h TRP 2 Cb 0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 29.16 28.99 3h5g h TRP 2 CO 0.00 0.56 0.35 1.49 -0.00 0.00 0.00 178.44 180.85 3h5g h GLU 3 N 0.18 0.63 -0.72 2.65 4.81 -2.05 -0.44 114.58 119.64 3h5g h GLU 3 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3h5g h GLU 3 Cb 0.38 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3h5g h GLU 3 CO 0.01 0.42 0.42 0.00 -0.73 0.00 0.00 179.01 179.13 3h5g h ALA 4 N 1.35 0.92 -0.21 2.92 0.00 -1.94 -0.09 119.26 122.20 3h5g h ALA 4 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3h5g h ALA 4 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h5g h ALA 4 CO -0.19 0.41 0.05 -0.07 0.00 0.00 0.00 179.25 179.45 3h5g h LEU 5 N 0.99 0.32 -0.81 0.00 4.07 -0.94 -0.88 115.31 118.06 3h5g h LEU 5 Ca 0.26 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 58.00 3h5g h LEU 5 Cb -0.01 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 3h5g h LEU 5 CO -0.05 0.46 0.53 -0.33 -1.08 0.00 0.00 178.44 177.98 3h5g h GLU 6 N 0.15 1.06 -0.32 1.13 5.08 -0.75 -1.26 114.58 119.67 3h5g h GLU 6 Ca 0.07 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3h5g h GLU 6 Cb 0.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3h5g h GLU 6 CO 0.00 0.70 -0.41 0.87 -1.00 0.00 0.00 179.01 179.17 3h5g h LYS 7 N 1.09 0.80 -0.59 2.33 1.79 -0.93 -0.55 116.57 120.51 3h5g h LYS 7 Ca 0.30 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3h5g h LYS 7 Cb -0.12 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3h5g h LYS 7 CO -0.07 1.06 0.28 0.87 -1.08 0.00 0.00 179.45 180.51 3h5g h LYS 8 N 0.65 0.85 -0.55 3.15 1.57 -0.89 -0.04 116.57 121.31 3h5g h LYS 8 Ca 0.05 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3h5g h LYS 8 Cb 0.98 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 3h5g h LYS 8 CO 0.09 0.70 0.30 1.25 -0.57 0.00 0.00 179.45 181.22 3h5g h LEU 9 N 0.80 0.69 -0.79 2.94 5.85 -1.02 -0.02 115.31 123.77 3h5g h LEU 9 Ca 0.20 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3h5g h LEU 9 Cb 0.13 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3h5g h LEU 9 CO -0.02 0.58 0.46 0.00 -0.34 0.00 0.00 178.44 179.11 3h5g h ALA 10 N 1.14 1.00 -0.43 1.25 0.00 -0.87 -0.67 119.26 120.67 3h5g h ALA 10 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h5g h ALA 10 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3h5g h ALA 10 CO -0.03 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.82 3h5g h ALA 11 N 1.24 0.57 -0.78 0.00 0.00 -0.68 -1.84 119.26 117.77 3h5g h ALA 11 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h5g h ALA 11 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3h5g h ALA 11 CO -0.05 0.25 0.51 -0.07 0.00 0.00 0.00 179.25 179.89 3h5g h LEU 12 N 0.56 0.90 -1.08 0.00 3.38 -0.78 -0.91 115.31 117.39 3h5g h LEU 12 Ca 0.14 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3h5g h LEU 12 Cb 0.31 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3h5g h LEU 12 CO 0.00 0.66 0.62 -0.33 0.09 0.00 0.00 178.44 179.48 3h5g h GLU 13 N 1.06 1.23 -0.36 1.13 5.08 -0.88 -2.80 114.58 119.04 3h5g h GLU 13 Ca 0.29 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3h5g h GLU 13 Cb -0.12 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.85 3h5g h GLU 13 CO -0.06 0.82 -0.21 0.77 -1.00 0.00 0.00 179.01 179.33 3h5g h SER 14 N 1.27 0.81 0.00 1.42 0.02 -0.88 -2.20 113.55 114.00 3h5g h SER 14 Ca 0.35 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3h5g h SER 14 Cb -0.14 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.17 3h5g h SER 14 CO -0.08 1.06 0.00 0.29 -1.14 0.00 0.00 176.83 176.96 3h5g n LYS 15 N -4.26 0.17 0.00 3.45 5.02 -0.39 -1.10 118.16 121.05 3h5g n LYS 15 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3h5g n LYS 15 Cb 0.43 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3h5g n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h5g n GLN 17 N 1.17 0.00 -0.20 1.97 6.02 -0.83 -0.92 117.38 124.59 3h5g n GLN 17 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3h5g n GLN 17 Cb 0.08 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.37 3h5g n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h5g h ALA 18 N 0.00 0.76 -0.29 -1.58 0.00 -1.40 -1.82 119.26 114.93 3h5g h ALA 18 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 3h5g h ALA 18 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3h5g h ALA 18 CO 0.00 0.47 -0.52 -0.07 0.00 0.00 0.00 179.25 179.12 3h5g h LEU 19 N 0.83 0.94 -0.81 0.00 4.07 -1.29 -1.97 115.31 117.08 3h5g h LEU 19 Ca 0.18 -0.50 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 3h5g h LEU 19 Cb 0.35 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 3h5g h LEU 19 CO 0.00 1.29 0.43 -0.08 -1.08 0.00 0.00 178.44 179.00 3h5g h GLU 20 N 0.66 1.14 -0.72 1.13 4.57 -1.76 0.07 114.58 119.67 3h5g h GLU 20 Ca 0.02 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3h5g h GLU 20 Cb 1.12 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 3h5g h GLU 20 CO 0.12 0.85 0.38 -0.22 -1.18 0.00 0.00 179.01 178.96 3h5g h LYS 21 N 1.13 1.01 -0.28 1.92 3.64 -1.16 -0.94 116.57 121.89 3h5g h LYS 21 Ca 0.28 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 3h5g h LYS 21 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3h5g h LYS 21 CO -0.04 0.76 -0.38 0.87 -2.27 0.00 0.00 179.45 178.39 3h5g h LYS 22 N 0.99 0.66 -0.59 1.90 1.57 -0.86 -1.68 116.57 118.56 3h5g h LYS 22 Ca 0.25 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3h5g h LYS 22 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3h5g h LYS 22 CO -0.04 0.93 0.20 1.25 -0.57 0.00 0.00 179.45 181.23 3h5g h LEU 23 N 0.54 0.84 -0.62 2.94 6.46 -0.62 -0.67 115.31 124.18 3h5g h LEU 23 Ca 0.05 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 3h5g h LEU 23 Cb 0.91 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 3h5g h LEU 23 CO 0.08 0.81 0.15 -0.33 -0.62 0.00 0.00 178.44 178.53 3h5g h GLU 24 N 0.82 0.99 -0.67 1.25 4.39 -1.04 0.80 114.58 121.12 3h5g h GLU 24 Ca 0.19 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3h5g h GLU 24 Cb 0.26 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3h5g h GLU 24 CO -0.01 0.90 0.16 0.00 -1.16 0.00 0.00 179.01 178.90 3h5g h ALA 25 N 1.05 1.01 -0.34 3.43 0.00 -1.04 -1.24 119.26 122.12 3h5g h ALA 25 Ca 0.19 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3h5g h ALA 25 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h5g h ALA 25 CO 0.00 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.78 3h5g h LEU 26 N 1.02 0.91 -0.40 0.00 5.85 -0.64 0.13 115.31 122.18 3h5g h LEU 26 Ca 0.21 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3h5g h LEU 26 Cb 0.36 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3h5g h LEU 26 CO 0.00 1.20 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.11 3h5g h GLU 27 N 0.64 0.77 0.00 1.25 4.81 -0.70 -3.37 114.58 117.98 3h5g h GLU 27 Ca 0.05 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3h5g h GLU 27 Cb 0.95 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3h5g h GLU 27 CO 0.09 0.91 -1.00 0.72 -0.73 0.00 0.00 179.01 179.00 3h5g n HIS 28 N -4.33 0.00 0.98 0.92 8.25 -0.48 -5.09 115.22 115.47 3h5g n HIS 28 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3h5g n HIS 28 Cb 0.37 -0.12 0.10 0.00 1.12 0.00 0.00 29.99 31.46 3h5g n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39