#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5o n LYS 2 N 0.00 0.41 0.02 2.98 3.00 -1.26 -4.49 118.16 118.83 1h5o n LYS 2 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 58.31 58.47 1h5o n LYS 2 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 35.03 33.77 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1h5o h GLN 3 N -0.79 -0.16 0.01 1.64 5.75 -1.93 -3.28 115.11 116.34 1h5o h GLN 3 Ca 0.00 0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.32 1h5o h GLN 3 Cb 0.77 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 1h5o h GLN 3 CO 0.00 -0.10 -0.89 0.00 -2.65 0.00 0.00 178.83 175.18 1h5o h HIS 5 N 0.02 0.60 -0.32 0.00 -0.00 -1.75 0.13 115.15 113.83 1h5o h HIS 5 Ca -0.02 -0.05 -0.15 0.00 -0.00 0.00 0.00 60.37 60.15 1h5o h HIS 5 Cb 1.56 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.79 1h5o h HIS 5 CO 0.01 0.54 -0.39 -0.22 -0.00 0.00 0.00 177.93 177.87 1h5o h LYS 6 N 0.57 0.83 0.21 5.26 3.64 -1.61 -3.35 116.57 122.12 1h5o h LYS 6 Ca 0.13 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1h5o h LYS 6 Cb 0.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1h5o h LYS 6 CO 0.00 1.10 -0.10 0.87 -2.27 0.00 0.00 179.45 179.06 1h5o h LYS 7 N 0.61 -0.27 0.00 1.90 1.57 -1.43 -3.49 116.57 115.47 1h5o h LYS 7 Ca 0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1h5o h LYS 7 Cb 0.98 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1h5o h LYS 7 CO 0.09 -0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 1h5o n GLY 8 N 0.88 0.29 0.00 3.86 0.00 0.44 -5.12 105.19 105.54 1h5o n GLY 8 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1h5o n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5o n GLY 9 N 0.00 0.43 3.01 -0.02 0.00 -1.05 -4.49 105.19 103.07 1h5o n GLY 9 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1h5o n GLY 9 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h5o s HIS 10 N -2.00 1.50 0.14 1.61 3.76 -0.91 -4.25 115.29 115.14 1h5o s HIS 10 Ca 0.00 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 1h5o s HIS 10 Cb 0.00 -1.12 -0.07 0.00 1.11 0.00 0.00 32.58 32.50 1h5o s HIS 10 CO 0.00 -0.33 0.92 0.00 -0.85 0.00 0.00 174.74 174.48 1h5o s PHE 12 N -0.34 0.61 1.41 0.00 0.08 0.67 -4.97 117.98 115.44 1h5o s PHE 12 Ca 0.44 -0.94 -0.23 0.00 0.12 0.00 0.00 56.93 56.33 1h5o s PHE 12 Cb -0.24 -0.41 0.36 0.00 -0.57 0.00 0.00 43.02 42.17 1h5o s PHE 12 CO 0.29 -0.27 0.94 -2.14 -0.10 0.00 0.00 175.22 173.94 1h5o s PRO 13 N -3.51 -2.87 0.15 0.24 0.02 -1.26 -0.79 135.00 126.98 1h5o s PRO 13 Ca 0.05 0.14 -0.15 0.00 0.02 0.00 0.00 61.00 61.06 1h5o s PRO 13 Cb 0.04 -1.38 0.02 0.00 0.02 0.00 0.00 34.50 33.20 1h5o s PRO 13 CO -0.07 -4.84 1.75 -0.22 -0.33 0.00 0.00 177.00 173.29 1h5o h LYS 14 N -3.39 0.64 0.00 5.54 1.63 -1.90 -3.10 116.57 115.98 1h5o h LYS 14 Ca -0.44 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 1h5o h LYS 14 Cb 1.34 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1h5o h LYS 14 CO 0.29 0.52 -0.12 1.05 -3.45 0.00 0.00 179.45 177.74 1h5o h GLU 15 N 0.59 0.00 -6.56 1.90 4.11 -1.91 -3.44 114.58 109.28 1h5o h GLU 15 Ca 0.16 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.06 1h5o h GLU 15 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1h5o h GLU 15 CO -0.02 0.12 0.48 0.15 0.07 0.00 0.00 179.01 179.80 1h5o s LYS 16 N -4.42 4.54 0.01 1.06 -0.14 -1.17 -4.98 119.74 114.65 1h5o s LYS 16 Ca -0.04 1.67 -0.29 0.00 -1.36 0.00 0.00 55.97 55.96 1h5o s LYS 16 Cb 0.14 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 1h5o s LYS 16 CO 0.61 -0.04 0.92 0.42 -0.76 0.00 0.00 175.35 176.50 1h5o s ILE 17 N 0.38 4.82 0.02 2.17 1.01 -1.26 -4.91 121.20 123.43 1h5o s ILE 17 Ca 0.53 1.94 -0.23 0.00 0.00 0.00 0.00 60.65 62.89 1h5o s ILE 17 Cb -0.28 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1h5o s ILE 17 CO 0.32 0.21 0.70 0.00 0.00 0.00 0.00 174.94 176.17 1h5o s LEU 19 N -0.08 1.11 0.71 0.00 1.98 -1.26 -2.59 118.68 118.55 1h5o s LEU 19 Ca 0.36 -0.59 -0.11 0.00 -2.89 0.00 0.00 54.13 50.89 1h5o s LEU 19 Cb -0.19 -0.62 0.01 0.00 0.66 0.00 0.00 46.19 46.05 1h5o s LEU 19 CO 0.20 -0.25 1.06 -2.16 -1.89 0.00 0.00 176.35 173.32 1h5o s PRO 20 N 1.84 2.84 0.31 0.98 0.04 -1.26 -4.91 135.00 134.84 1h5o s PRO 20 Ca 0.01 0.90 0.15 0.00 0.04 0.00 0.00 61.00 62.11 1h5o s PRO 20 Cb -0.15 -1.98 0.37 0.00 0.04 0.00 0.00 34.50 32.77 1h5o s PRO 20 CO -0.07 -1.15 1.58 -1.00 0.04 0.00 0.00 177.00 176.40 1h5o h PRO 21 N -0.76 0.00 0.00 0.56 0.13 -1.92 -3.00 132.00 127.01 1h5o h PRO 21 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1h5o h PRO 21 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1h5o h PRO 21 CO 0.57 0.51 -0.28 0.66 -0.23 0.00 0.00 178.00 179.24 1h5o h SER 22 N 0.00 0.00 -1.85 1.44 4.64 -1.99 -3.33 113.55 112.46 1h5o h SER 22 Ca -0.01 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.55 1h5o h SER 22 Cb 1.16 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.07 1h5o h SER 22 CO 0.07 0.28 1.65 -1.20 -0.87 0.00 0.00 176.83 176.75 1h5o n SER 23 N -3.48 5.40 -3.66 4.97 7.64 -1.13 -4.89 113.62 118.46 1h5o n SER 23 Ca -0.00 -3.16 -0.18 0.00 1.01 0.00 0.00 58.87 56.54 1h5o n SER 23 Cb 0.45 -1.44 -0.16 0.00 -1.01 0.00 0.00 64.21 62.04 1h5o n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1h5o s ASP 24 N 0.53 0.86 0.85 6.43 2.15 -1.25 -1.03 116.67 125.21 1h5o s ASP 24 Ca 0.38 0.26 -0.11 0.00 0.43 0.00 0.00 52.55 53.51 1h5o s ASP 24 Cb 0.07 0.20 0.15 0.00 -0.30 0.00 0.00 42.92 43.04 1h5o s ASP 24 CO 0.02 -0.25 1.19 -0.36 -0.17 0.00 0.00 175.17 175.60 1h5o s PHE 25 N 2.27 1.86 0.00 -5.34 0.08 0.77 -4.91 117.98 112.72 1h5o s PHE 25 Ca 0.04 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.29 1h5o s PHE 25 Cb -0.12 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1h5o s PHE 25 CO -0.05 -2.18 0.00 0.41 -0.10 0.00 0.00 175.22 173.29 1h5o n GLY 26 N -3.38 0.94 3.64 4.36 0.00 -1.26 -3.05 105.19 106.45 1h5o n GLY 26 Ca 0.14 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1h5o n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5o s LYS 27 N 2.47 4.07 0.00 1.61 -2.85 -1.25 -3.28 119.74 120.51 1h5o s LYS 27 Ca 0.00 1.39 0.00 0.00 -1.00 0.00 0.00 55.97 56.36 1h5o s LYS 27 Cb 0.00 -3.80 0.00 0.00 -2.06 0.00 0.00 37.83 31.97 1h5o s LYS 27 CO 0.00 -0.91 0.00 -1.33 0.10 0.00 0.00 175.35 173.21 1h5o n MET 28 N 6.94 0.00 -1.75 1.78 2.81 -1.26 -4.94 117.12 120.70 1h5o n MET 28 Ca 0.14 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.69 1h5o n MET 28 Cb 0.46 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1h5o n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1h5o n ASP 29 N 0.00 7.06 0.00 7.83 2.03 -1.26 -4.63 116.55 127.58 1h5o n ASP 29 Ca 0.00 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1h5o n ASP 29 Cb 0.00 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5o n ARG 31 N -0.08 0.39 0.22 0.00 1.85 -1.26 -5.07 116.66 112.71 1h5o n ARG 31 Ca 0.00 -0.77 -0.14 0.00 -1.00 0.00 0.00 57.85 55.94 1h5o n ARG 31 Cb 0.00 0.95 -0.08 0.00 -1.05 0.00 0.00 32.46 32.29 1h5o n ARG 31 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1h5o h TRP 32 N 1.34 -1.08 -0.03 2.89 2.91 -1.97 -3.08 115.95 116.94 1h5o h TRP 32 Ca -0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.91 1h5o h TRP 32 Cb 0.42 0.42 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 1h5o h TRP 32 CO 0.00 -0.52 0.00 0.54 -1.03 0.00 0.00 178.44 177.43 1h5o n ARG 33 N -4.76 1.26 -3.76 2.65 1.74 -1.26 -4.36 116.66 108.17 1h5o n ARG 33 Ca -0.09 -0.38 -0.31 0.00 -0.77 0.00 0.00 57.85 56.30 1h5o n ARG 33 Cb 0.35 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1h5o n ARG 33 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1h5o s TRP 34 N -1.97 3.49 0.27 -1.55 0.52 -1.16 -3.06 118.94 115.48 1h5o s TRP 34 Ca 0.39 0.44 0.12 0.00 0.02 0.00 0.00 56.10 57.07 1h5o s TRP 34 Cb 0.19 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 1h5o s TRP 34 CO 0.31 0.49 -0.19 0.15 0.02 0.00 0.00 176.95 177.73 1h5o s LYS 35 N -2.62 1.72 -0.26 4.98 -0.14 0.03 -3.84 119.74 119.61 1h5o s LYS 35 Ca 0.39 -1.72 -0.04 0.00 -1.36 0.00 0.00 55.97 53.24 1h5o s LYS 35 Cb -0.12 -1.81 0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1h5o s LYS 35 CO 0.26 0.34 0.01 0.00 -0.76 0.00 0.00 175.35 175.20 1h5o s LYS 38 N 1.50 4.12 0.03 0.00 2.20 -0.20 -2.13 119.74 125.26 1h5o s LYS 38 Ca 0.38 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1h5o s LYS 38 Cb -0.17 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1h5o s LYS 38 CO 0.16 -0.26 0.00 0.36 -0.36 0.00 0.00 175.35 175.25 1h5o n LYS 39 N 5.19 0.00 0.00 4.03 2.85 -1.26 -4.66 118.16 124.31 1h5o n LYS 39 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1h5o n LYS 39 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1h5o n GLY 40 N -0.73 -0.35 2.61 2.58 0.00 -1.26 -5.01 105.19 103.02 1h5o n GLY 40 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h5o s SER 41 N -4.00 2.98 0.00 1.61 1.04 -1.26 -4.84 113.70 109.24 1h5o s SER 41 Ca 0.00 -3.07 0.00 0.00 0.48 0.00 0.00 55.95 53.36 1h5o s SER 41 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1h5o s SER 41 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64