#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 0.05 2.98 5.02 -1.26 -4.02 118.16 120.93 1h5o n LYS 2 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1h5o n LYS 2 Cb 0.00 -0.14 -0.09 0.00 -0.02 0.00 0.00 35.03 34.78 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1h5o h GLN 3 N 0.00 0.61 -0.87 1.97 5.75 -1.94 -3.17 115.11 117.46 1h5o h GLN 3 Ca 0.00 -0.68 0.11 0.00 -0.15 0.00 0.00 58.65 57.93 1h5o h GLN 3 Cb 0.00 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 1h5o h GLN 3 CO 0.00 1.27 0.56 0.00 -2.65 0.00 0.00 178.83 178.02 1h5o h HIS 5 N 0.80 1.00 -0.53 0.00 -0.00 -1.69 -1.05 115.15 113.68 1h5o h HIS 5 Ca 0.42 -0.39 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1h5o h HIS 5 Cb 0.51 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1h5o h HIS 5 CO -0.00 1.21 -0.01 0.87 -0.00 0.00 0.00 177.93 180.00 1h5o h LYS 6 N 0.57 0.94 -0.54 5.26 1.57 -1.33 -2.83 116.57 120.20 1h5o h LYS 6 Ca -0.01 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 1h5o h LYS 6 Cb 1.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1h5o h LYS 6 CO 0.13 0.96 -0.03 0.87 -0.57 0.00 0.00 179.45 180.82 1h5o h LYS 7 N 0.81 0.94 0.00 3.15 1.79 -1.08 -3.49 116.57 118.70 1h5o h LYS 7 Ca 0.15 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1h5o h LYS 7 Cb 0.54 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1h5o h LYS 7 CO 0.03 0.94 0.00 0.41 -1.08 0.00 0.00 179.45 179.75 1h5o n GLY 8 N -0.48 0.57 3.62 3.86 0.00 -0.42 -5.07 105.19 107.26 1h5o n GLY 8 Ca 0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.05 0.46 -0.02 0.00 -1.09 -4.13 107.32 102.49 1h5o s GLY 9 Ca 0.00 2.55 -0.13 0.00 0.00 0.00 0.00 44.72 47.14 1h5o s GLY 9 CO 0.00 1.21 0.87 -1.58 0.00 0.00 0.00 173.10 173.60 1h5o s HIS 10 N -0.86 3.47 -0.09 1.90 2.46 -1.10 -4.57 115.29 116.49 1h5o s HIS 10 Ca 0.04 1.22 -0.30 0.00 0.47 0.00 0.00 55.06 56.50 1h5o s HIS 10 Cb -0.01 -2.59 -0.02 0.00 -0.13 0.00 0.00 32.58 29.83 1h5o s HIS 10 CO -0.05 -0.23 1.06 0.00 -2.47 0.00 0.00 174.74 173.05 1h5o s PHE 12 N 2.08 1.37 1.10 0.00 0.08 0.81 -4.97 117.98 118.45 1h5o s PHE 12 Ca 0.50 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 1h5o s PHE 12 Cb -0.20 -0.78 0.19 0.00 -0.57 0.00 0.00 43.02 41.66 1h5o s PHE 12 CO 0.19 0.08 0.69 -2.30 -0.10 0.00 0.00 175.22 173.78 1h5o n PRO 13 N 1.47 -1.72 -0.21 0.24 -0.02 -1.26 -0.03 135.00 133.47 1h5o n PRO 13 Ca -0.20 -0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 60.80 1h5o n PRO 13 Cb 0.54 -2.04 0.19 0.00 -0.02 0.00 0.00 33.50 32.18 1h5o n PRO 13 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1h5o h LYS 14 N -2.29 0.99 0.00 -0.52 1.63 -1.79 -2.96 116.57 111.63 1h5o h LYS 14 Ca -0.55 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.13 1h5o h LYS 14 Cb 1.33 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1h5o h LYS 14 CO 0.43 0.74 -0.00 1.05 -3.45 0.00 0.00 179.45 178.22 1h5o h GLU 15 N 0.99 0.00 -6.28 1.90 4.11 -1.91 -3.44 114.58 109.95 1h5o h GLU 15 Ca 0.25 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 59.12 1h5o h GLU 15 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1h5o h GLU 15 CO -0.04 0.00 0.72 0.15 0.07 0.00 0.00 179.01 179.92 1h5o s LYS 16 N -3.90 4.34 0.22 1.06 -0.14 -1.12 -4.99 119.74 115.21 1h5o s LYS 16 Ca -0.02 1.65 -0.30 0.00 -1.36 0.00 0.00 55.97 55.95 1h5o s LYS 16 Cb 0.11 -3.59 -0.08 0.00 -1.68 0.00 0.00 37.83 32.59 1h5o s LYS 16 CO 0.48 -0.48 1.13 0.42 -0.76 0.00 0.00 175.35 176.14 1h5o s ILE 17 N 2.39 3.64 -0.19 2.17 1.01 -1.26 -4.98 121.20 123.99 1h5o s ILE 17 Ca 0.55 1.49 -0.21 0.00 0.00 0.00 0.00 60.65 62.47 1h5o s ILE 17 Cb -0.24 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1h5o s ILE 17 CO 0.20 0.29 0.65 0.00 0.00 0.00 0.00 174.94 176.08 1h5o s LEU 19 N 1.85 1.06 0.93 0.00 2.96 -1.26 -3.67 118.68 120.55 1h5o s LEU 19 Ca 0.30 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 1h5o s LEU 19 Cb -0.16 -0.50 0.15 0.00 0.50 0.00 0.00 46.19 46.18 1h5o s LEU 19 CO 0.11 -0.11 1.10 -2.84 -1.32 0.00 0.00 176.35 173.29 1h5o s PRO 20 N 1.36 0.96 0.38 0.98 0.02 -1.26 -4.42 135.00 133.02 1h5o s PRO 20 Ca -0.04 0.65 0.13 0.00 0.02 0.00 0.00 61.00 61.76 1h5o s PRO 20 Cb -0.13 -1.79 0.75 0.00 0.02 0.00 0.00 34.50 33.34 1h5o s PRO 20 CO -0.03 -2.40 1.84 -1.35 -0.33 0.00 0.00 177.00 174.74 1h5o h PRO 21 N -1.66 0.01 -0.28 5.54 0.11 -1.99 -3.28 132.00 130.46 1h5o h PRO 21 Ca -0.51 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1h5o h PRO 21 Cb 1.30 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1h5o h PRO 21 CO 0.57 0.36 -0.23 0.77 -0.21 0.00 0.00 178.00 179.25 1h5o h SER 22 N 0.01 0.69 -1.70 -2.05 0.02 -1.98 -3.36 113.55 105.18 1h5o h SER 22 Ca -0.00 -0.45 -0.75 0.00 -0.84 0.00 0.00 61.79 59.74 1h5o h SER 22 Cb 0.62 -0.19 -0.17 0.00 0.14 0.00 0.00 62.40 62.80 1h5o h SER 22 CO 0.05 1.00 1.76 -1.54 -1.14 0.00 0.00 176.83 176.95 1h5o n SER 23 N -4.32 5.19 -4.17 3.07 3.41 -1.24 -4.93 113.62 110.63 1h5o n SER 23 Ca -0.04 -3.08 -0.29 0.00 -0.26 0.00 0.00 58.87 55.20 1h5o n SER 23 Cb 0.43 -1.50 -0.17 0.00 -0.26 0.00 0.00 64.21 62.72 1h5o n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5o s ASP 24 N 1.37 2.60 0.10 4.04 2.15 -1.26 -3.13 116.67 122.54 1h5o s ASP 24 Ca 0.40 -0.45 0.09 0.00 0.43 0.00 0.00 52.55 53.03 1h5o s ASP 24 Cb 0.05 -0.95 -0.04 0.00 -0.30 0.00 0.00 42.92 41.68 1h5o s ASP 24 CO 0.01 0.15 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.58 1h5o s PHE 25 N 0.20 2.44 0.00 -5.34 0.08 -0.43 -5.05 117.98 109.88 1h5o s PHE 25 Ca -0.11 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1h5o s PHE 25 Cb -0.15 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1h5o s PHE 25 CO 0.05 0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.90 1h5o n GLY 26 N 1.07 0.72 3.62 4.36 0.00 -1.26 -3.10 105.19 110.59 1h5o n GLY 26 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1h5o n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5o s LYS 27 N 1.33 3.87 0.00 1.61 1.02 -1.26 -3.61 119.74 122.69 1h5o s LYS 27 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1h5o s LYS 27 Cb 0.00 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1h5o s LYS 27 CO 0.00 -1.18 0.00 -1.33 -0.92 0.00 0.00 175.35 171.92 1h5o n MET 28 N 7.43 0.00 -3.16 1.68 2.81 -1.26 -4.99 117.12 119.63 1h5o n MET 28 Ca 0.13 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.83 1h5o n MET 28 Cb 0.48 0.00 -0.03 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 1.19 0.00 7.83 2.03 -1.26 -4.79 116.55 121.55 1h5o n ASP 29 Ca 0.00 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1h5o n ASP 29 Cb 0.00 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 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 -0.11 0.00 0.06 0.00 1.85 -1.26 -5.02 116.66 112.18 1h5o n ARG 31 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 1h5o n ARG 31 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 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 0.88 -0.07 -0.57 2.89 2.91 -2.02 -3.14 115.95 116.84 1h5o h TRP 32 Ca 0.00 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1h5o h TRP 32 Cb 0.00 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 1h5o h TRP 32 CO 0.00 0.05 0.07 0.54 -1.03 0.00 0.00 178.44 178.06 1h5o n ARG 33 N -5.08 4.26 -4.45 2.65 1.74 -1.26 -4.96 116.66 109.55 1h5o n ARG 33 Ca -0.08 -3.11 -0.25 0.00 -0.77 0.00 0.00 57.85 53.64 1h5o n ARG 33 Cb 0.10 -2.19 -0.10 0.00 -1.02 0.00 0.00 32.46 29.26 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 -2.85 2.46 0.39 -1.55 0.52 -1.19 -2.26 118.94 114.45 1h5o s TRP 34 Ca 0.53 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.24 1h5o s TRP 34 Cb 0.41 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 1h5o s TRP 34 CO 0.14 0.56 0.17 -1.59 0.02 0.00 0.00 176.95 176.25 1h5o s LYS 35 N -3.64 1.90 0.05 4.98 -2.85 0.96 -4.48 119.74 116.66 1h5o s LYS 35 Ca 0.33 -2.15 0.08 0.00 -1.00 0.00 0.00 55.97 53.24 1h5o s LYS 35 Cb 0.01 -0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 35.40 1h5o s LYS 35 CO 0.18 -0.54 -0.23 0.00 0.10 0.00 0.00 175.35 174.86 1h5o s LYS 38 N -0.16 3.65 0.16 0.00 2.20 -1.18 -2.73 119.74 121.67 1h5o s LYS 38 Ca -0.02 -2.06 0.00 0.00 -0.36 0.00 0.00 55.97 53.52 1h5o s LYS 38 Cb -0.02 -4.77 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 1h5o s LYS 38 CO 0.00 -1.61 0.00 0.36 -0.36 0.00 0.00 175.35 173.74 1h5o n LYS 39 N 5.60 0.00 0.00 4.03 2.85 -1.26 -4.40 118.16 124.98 1h5o n LYS 39 Ca 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1h5o n LYS 39 Cb 0.48 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 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 1.89 -0.42 0.12 2.58 0.00 -1.26 -5.01 105.19 103.08 1h5o n GLY 40 Ca 0.00 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h5o n SER 41 N 0.00 1.91 0.00 1.61 3.41 -1.26 -4.81 113.62 114.48 1h5o n SER 41 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1h5o n SER 41 Cb 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49