#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 0.00 -0.06 2.98 3.00 -1.26 -4.28 118.16 118.54 1h5o n LYS 2 Ca 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.33 1h5o n LYS 2 Cb 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 35.03 34.31 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 0.00 -0.00 -0.50 1.64 5.75 -2.00 -2.96 115.11 117.03 1h5o h GLN 3 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1h5o h GLN 3 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1h5o h GLN 3 CO 0.00 0.92 0.16 0.00 -2.65 0.00 0.00 178.83 177.26 1h5o h HIS 5 N 0.72 0.28 -0.47 0.00 -0.00 -1.74 -0.62 115.15 113.33 1h5o h HIS 5 Ca 0.17 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1h5o h HIS 5 Cb 0.20 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1h5o h HIS 5 CO 0.01 0.96 -0.00 -0.22 -0.00 0.00 0.00 177.93 178.68 1h5o h LYS 6 N 0.11 0.83 -0.07 5.26 3.64 -1.32 -3.06 116.57 121.96 1h5o h LYS 6 Ca -0.04 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1h5o h LYS 6 Cb 1.49 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1h5o h LYS 6 CO 0.13 0.88 -0.06 0.87 -2.27 0.00 0.00 179.45 179.01 1h5o h LYS 7 N 0.68 0.16 0.00 1.90 1.57 -1.53 -3.49 116.57 115.85 1h5o h LYS 7 Ca 0.13 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1h5o h LYS 7 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1h5o h LYS 7 CO 0.02 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 1h5o n GLY 8 N 0.15 1.92 3.65 3.86 0.00 -0.30 -4.97 105.19 109.50 1h5o n GLY 8 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.30 1h5o n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h5o s GLY 9 N 0.00 -0.38 0.10 -0.02 0.00 -0.83 -4.25 107.32 101.94 1h5o s GLY 9 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 44.72 45.37 1h5o s GLY 9 CO 0.00 0.26 -0.13 -1.58 0.00 0.00 0.00 173.10 171.65 1h5o s HIS 10 N -2.51 1.23 -0.21 1.90 2.46 -0.79 -4.55 115.29 112.82 1h5o s HIS 10 Ca 0.14 -0.56 -0.29 0.00 0.47 0.00 0.00 55.06 54.82 1h5o s HIS 10 Cb 0.04 -0.66 0.01 0.00 -0.13 0.00 0.00 32.58 31.83 1h5o s HIS 10 CO -0.03 0.07 1.06 0.00 -2.47 0.00 0.00 174.74 173.38 1h5o s PHE 12 N 3.13 2.49 1.26 0.00 0.40 0.70 -4.92 117.98 121.05 1h5o s PHE 12 Ca 0.46 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.35 1h5o s PHE 12 Cb -0.16 -1.22 0.32 0.00 0.51 0.00 0.00 43.02 42.46 1h5o s PHE 12 CO 0.08 0.51 0.99 -2.14 0.70 0.00 0.00 175.22 175.36 1h5o s PRO 13 N -2.75 -1.70 0.15 0.24 0.02 -1.26 -0.22 135.00 129.48 1h5o s PRO 13 Ca 0.23 0.60 -0.15 0.00 0.02 0.00 0.00 61.00 61.70 1h5o s PRO 13 Cb -0.08 -1.48 0.02 0.00 0.02 0.00 0.00 34.50 32.97 1h5o s PRO 13 CO 0.13 -4.18 1.73 -0.22 -0.33 0.00 0.00 177.00 174.12 1h5o h LYS 14 N -2.94 0.65 0.00 5.54 1.63 -1.90 -3.14 116.57 116.41 1h5o h LYS 14 Ca -0.57 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.10 1h5o h LYS 14 Cb 1.34 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1h5o h LYS 14 CO 0.44 0.55 -0.14 1.05 -3.45 0.00 0.00 179.45 177.90 1h5o h GLU 15 N 0.58 0.00 -6.83 1.90 4.11 -1.91 -3.45 114.58 108.98 1h5o h GLU 15 Ca 0.15 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.09 1h5o h GLU 15 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1h5o h GLU 15 CO -0.02 0.14 0.44 0.15 0.07 0.00 0.00 179.01 179.79 1h5o s LYS 16 N -4.44 4.59 0.06 1.06 -0.14 -1.19 -4.98 119.74 114.71 1h5o s LYS 16 Ca -0.04 1.69 -0.28 0.00 -1.36 0.00 0.00 55.97 55.98 1h5o s LYS 16 Cb 0.15 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 1h5o s LYS 16 CO 0.63 0.20 0.90 0.42 -0.76 0.00 0.00 175.35 176.75 1h5o s ILE 17 N -1.26 4.66 0.02 2.17 1.01 -1.26 -4.96 121.20 121.57 1h5o s ILE 17 Ca 0.46 1.93 -0.25 0.00 0.00 0.00 0.00 60.65 62.79 1h5o s ILE 17 Cb -0.29 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1h5o s ILE 17 CO 0.37 0.29 0.78 0.00 0.00 0.00 0.00 174.94 176.38 1h5o s LEU 19 N 0.24 1.04 0.80 0.00 1.98 -1.26 -2.84 118.68 118.64 1h5o s LEU 19 Ca 0.40 -0.50 -0.11 0.00 -2.89 0.00 0.00 54.13 51.03 1h5o s LEU 19 Cb -0.20 -0.61 0.07 0.00 0.66 0.00 0.00 46.19 46.11 1h5o s LEU 19 CO 0.23 -0.23 1.09 -2.16 -1.89 0.00 0.00 176.35 173.39 1h5o s PRO 20 N 1.85 2.09 0.19 0.98 0.04 -1.26 -4.22 135.00 134.67 1h5o s PRO 20 Ca 0.02 0.69 0.25 0.00 0.04 0.00 0.00 61.00 61.99 1h5o s PRO 20 Cb -0.15 -1.91 0.90 0.00 0.04 0.00 0.00 34.50 33.38 1h5o s PRO 20 CO -0.07 -1.63 1.75 -0.35 0.04 0.00 0.00 177.00 176.74 1h5o n PRO 21 N -3.45 0.19 0.22 0.56 -0.04 -1.13 -2.98 135.00 128.38 1h5o n PRO 21 Ca 0.07 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.91 1h5o n PRO 21 Cb 0.56 -1.78 0.47 0.00 -0.04 0.00 0.00 33.50 32.70 1h5o n PRO 21 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1h5o h SER 22 N 0.00 0.00 -1.99 3.54 0.02 -1.98 -3.27 113.55 109.87 1h5o h SER 22 Ca 0.00 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.18 1h5o h SER 22 Cb 0.54 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.81 1h5o h SER 22 CO 0.00 0.22 1.03 -1.20 -1.14 0.00 0.00 176.83 175.75 1h5o n SER 23 N -3.40 7.48 -4.28 3.07 7.64 -1.16 -4.88 113.62 118.09 1h5o n SER 23 Ca 0.00 -3.84 -0.45 0.00 1.01 0.00 0.00 58.87 55.60 1h5o n SER 23 Cb 0.42 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 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 -1.13 6.05 0.25 6.43 -1.08 -1.24 -3.06 116.67 122.89 1h5o s ASP 24 Ca 0.52 -1.81 0.04 0.00 -0.52 0.00 0.00 52.55 50.78 1h5o s ASP 24 Cb 0.44 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 1h5o s ASP 24 CO -0.41 -0.81 0.38 -0.36 0.52 0.00 0.00 175.17 174.49 1h5o s PHE 25 N 1.53 3.46 0.00 -5.34 0.08 0.02 -5.00 117.98 112.73 1h5o s PHE 25 Ca 0.04 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1h5o s PHE 25 Cb -0.29 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1h5o s PHE 25 CO 0.02 0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 1h5o n GLY 26 N -1.39 0.50 3.13 4.36 0.00 -1.26 -2.43 105.19 108.10 1h5o n GLY 26 Ca -0.08 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1h5o n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h5o n LYS 27 N 0.00 3.13 0.00 1.61 2.85 -1.24 -2.16 118.16 122.36 1h5o n LYS 27 Ca 0.00 -3.10 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 1h5o n LYS 27 Cb 0.00 -3.29 0.00 0.00 -0.65 0.00 0.00 35.03 31.09 1h5o n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1h5o n MET 28 N 6.61 0.00 -2.40 -1.58 2.81 -1.26 -4.28 117.12 117.01 1h5o n MET 28 Ca 0.48 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 56.06 1h5o n MET 28 Cb 0.42 -0.74 0.01 0.00 -0.71 0.00 0.00 33.22 32.19 1h5o n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1h5o n ASP 29 N -0.56 5.92 -4.19 7.83 9.92 -1.26 -4.85 116.55 129.37 1h5o n ASP 29 Ca 0.00 -3.75 -0.20 0.00 -0.53 0.00 0.00 54.79 50.31 1h5o n ASP 29 Cb 0.00 -0.76 -0.09 0.00 -0.64 0.00 0.00 41.12 39.62 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h5o n ARG 31 N -0.66 0.42 0.10 0.00 1.85 -1.26 -4.91 116.66 112.20 1h5o n ARG 31 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 1h5o n ARG 31 Cb 0.66 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.01 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 -0.58 -0.86 -0.59 2.89 -0.00 -2.02 -3.13 115.95 111.66 1h5o h TRP 32 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1h5o h TRP 32 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 29.16 29.52 1h5o h TRP 32 CO 0.00 -0.36 0.00 0.54 -0.00 0.00 0.00 178.44 178.62 1h5o n ARG 33 N -4.18 4.02 -3.76 2.65 1.74 -1.26 -4.80 116.66 111.08 1h5o n ARG 33 Ca -0.06 -2.95 -0.22 0.00 -0.77 0.00 0.00 57.85 53.85 1h5o n ARG 33 Cb 0.25 -1.99 -0.02 0.00 -1.02 0.00 0.00 32.46 29.69 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 -2.18 3.46 0.00 -1.55 0.52 -1.18 -3.12 118.94 114.89 1h5o s TRP 34 Ca 0.51 0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.79 1h5o s TRP 34 Cb 0.35 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1h5o s TRP 34 CO 0.21 0.32 -0.20 -1.59 0.02 0.00 0.00 176.95 175.70 1h5o s LYS 35 N -4.10 1.55 -0.20 4.98 -2.85 0.70 -3.60 119.74 116.21 1h5o s LYS 35 Ca 0.36 -0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 54.33 1h5o s LYS 35 Cb -0.09 -1.54 -0.02 0.00 -2.06 0.00 0.00 37.83 34.13 1h5o s LYS 35 CO 0.31 0.41 0.76 0.00 0.10 0.00 0.00 175.35 176.93 1h5o s LYS 38 N -1.02 2.86 0.14 0.00 2.20 -1.17 -1.89 119.74 120.85 1h5o s LYS 38 Ca 0.04 -1.58 0.10 0.00 -0.36 0.00 0.00 55.97 54.17 1h5o s LYS 38 Cb -0.08 -4.13 -0.15 0.00 -1.51 0.00 0.00 37.83 31.97 1h5o s LYS 38 CO 0.01 -1.17 1.23 1.57 -0.36 0.00 0.00 175.35 176.63 1h5o h LYS 39 N 8.72 0.00 0.00 4.03 -0.00 -1.87 -3.36 116.57 124.09 1h5o h LYS 39 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.38 1h5o h LYS 39 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1h5o h LYS 39 CO 0.93 0.81 0.00 0.41 -0.00 0.00 0.00 179.45 181.59 1h5o n GLY 40 N 1.35 1.60 0.12 0.07 0.00 -1.26 -4.70 105.19 102.37 1h5o n GLY 40 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1h5o n GLY 40 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h5o h SER 41 N 0.00 0.27 0.00 1.61 4.64 -1.94 -3.52 113.55 114.62 1h5o h SER 41 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1h5o h SER 41 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1h5o h SER 41 CO 0.00 1.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.10