#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5o h LYS 2 N 0.00 0.28 0.10 2.98 1.63 -2.01 -3.31 116.57 116.25 1h5o h LYS 2 Ca 0.00 -0.49 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1h5o h LYS 2 Cb 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1h5o h LYS 2 CO 0.00 1.16 -0.05 0.37 -3.45 0.00 0.00 179.45 177.48 1h5o h GLN 3 N 0.08 -0.13 0.07 1.90 5.75 -2.00 -3.31 115.11 117.46 1h5o h GLN 3 Ca -0.31 0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 57.96 1h5o h GLN 3 Cb 2.05 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.63 1h5o h GLN 3 CO 0.15 -0.09 -1.09 0.00 -2.65 0.00 0.00 178.83 175.15 1h5o h HIS 5 N 0.09 0.95 -0.30 0.00 -0.00 -1.76 0.24 115.15 114.36 1h5o h HIS 5 Ca -0.09 -0.38 -0.07 0.00 -0.00 0.00 0.00 60.37 59.83 1h5o h HIS 5 Cb 1.79 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 29.02 1h5o h HIS 5 CO 0.05 1.18 -0.12 -0.22 -0.00 0.00 0.00 177.93 178.82 1h5o h LYS 6 N 0.44 0.51 -0.02 5.26 1.63 -1.71 -2.97 116.57 119.72 1h5o h LYS 6 Ca -0.02 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1h5o h LYS 6 Cb 1.19 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1h5o h LYS 6 CO 0.12 0.63 -0.19 0.87 -3.45 0.00 0.00 179.45 177.43 1h5o h LYS 7 N 0.48 0.16 0.00 1.90 1.57 -1.62 -3.49 116.57 115.57 1h5o h LYS 7 Ca 0.09 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h5o h LYS 7 Cb 0.49 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1h5o h LYS 7 CO 0.03 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1h5o n GLY 8 N 0.86 0.38 3.05 3.86 0.00 0.67 -4.65 105.19 109.36 1h5o n GLY 8 Ca -0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 1.22 3.35 -0.02 0.00 -0.22 -4.44 105.19 105.08 1h5o n GLY 9 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1h5o n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1h5o s HIS 10 N -3.42 -0.32 -0.21 1.61 2.46 -1.24 -4.36 115.29 109.82 1h5o s HIS 10 Ca 0.13 0.10 -0.29 0.00 0.47 0.00 0.00 55.06 55.47 1h5o s HIS 10 Cb -0.04 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 1h5o s HIS 10 CO 0.10 -0.72 1.09 0.00 -2.47 0.00 0.00 174.74 172.74 1h5o s PHE 12 N 3.22 2.30 0.62 0.00 0.08 0.60 -4.88 117.98 119.92 1h5o s PHE 12 Ca 0.47 -0.37 -0.16 0.00 0.12 0.00 0.00 56.93 56.98 1h5o s PHE 12 Cb -0.17 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1h5o s PHE 12 CO 0.09 0.43 1.12 -2.14 -0.10 0.00 0.00 175.22 174.61 1h5o s PRO 13 N -2.39 2.97 0.45 0.24 0.02 -1.26 -1.29 135.00 133.73 1h5o s PRO 13 Ca 0.18 1.48 0.23 0.00 0.02 0.00 0.00 61.00 62.90 1h5o s PRO 13 Cb -0.09 -1.97 1.03 0.00 0.02 0.00 0.00 34.50 33.50 1h5o s PRO 13 CO 0.08 -1.13 1.89 1.57 -0.33 0.00 0.00 177.00 179.08 1h5o h LYS 14 N 0.42 0.00 0.00 5.54 2.10 -1.45 -2.94 116.57 120.23 1h5o h LYS 14 Ca -0.48 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 1h5o h LYS 14 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1h5o h LYS 14 CO 0.55 0.24 -0.25 1.05 -2.00 0.00 0.00 179.45 179.04 1h5o h GLU 15 N 0.00 0.00 -6.01 0.07 4.11 -1.92 -3.43 114.58 107.40 1h5o h GLU 15 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.84 1h5o h GLU 15 Cb 0.63 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1h5o h GLU 15 CO 0.03 0.25 -0.13 0.15 0.07 0.00 0.00 179.01 179.38 1h5o s LYS 16 N -4.03 4.12 -0.16 1.06 -0.14 -1.11 -5.04 119.74 114.45 1h5o s LYS 16 Ca -0.02 0.53 -0.24 0.00 -1.36 0.00 0.00 55.97 54.89 1h5o s LYS 16 Cb 0.13 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1h5o s LYS 16 CO 0.65 0.53 0.76 0.42 -0.76 0.00 0.00 175.35 176.95 1h5o s ILE 17 N -0.62 4.95 -0.03 2.17 1.01 -1.26 -4.87 121.20 122.54 1h5o s ILE 17 Ca 0.26 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 62.26 1h5o s ILE 17 Cb -0.17 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1h5o s ILE 17 CO 0.14 0.09 0.39 0.00 0.00 0.00 0.00 174.94 175.56 1h5o s LEU 19 N -0.82 1.65 0.71 0.00 1.98 -1.26 -3.31 118.68 117.63 1h5o s LEU 19 Ca 0.23 -0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 50.93 1h5o s LEU 19 Cb -0.16 -1.09 0.03 0.00 0.66 0.00 0.00 46.19 45.63 1h5o s LEU 19 CO 0.12 -0.03 1.09 -2.16 -1.89 0.00 0.00 176.35 173.48 1h5o s PRO 20 N 1.25 2.64 0.11 0.98 0.04 -1.26 -5.00 135.00 133.75 1h5o s PRO 20 Ca -0.01 0.30 0.26 0.00 0.04 0.00 0.00 61.00 61.59 1h5o s PRO 20 Cb -0.14 -2.04 1.00 0.00 0.04 0.00 0.00 34.50 33.36 1h5o s PRO 20 CO -0.06 -1.13 1.82 -0.35 0.04 0.00 0.00 177.00 177.33 1h5o n PRO 21 N -3.02 0.13 -1.73 0.56 -0.04 -1.21 -3.83 135.00 125.86 1h5o n PRO 21 Ca 0.07 0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 1h5o n PRO 21 Cb 0.58 -1.66 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1h5o n PRO 21 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1h5o n SER 22 N -1.88 7.23 -2.74 3.54 2.88 -1.26 -4.57 113.62 116.83 1h5o n SER 22 Ca 0.06 -3.80 -0.08 0.00 -1.33 0.00 0.00 58.87 53.71 1h5o n SER 22 Cb 0.36 -0.94 0.08 0.00 -0.75 0.00 0.00 64.21 62.96 1h5o n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1h5o n SER 23 N -0.70 -2.52 -3.70 -3.46 3.41 -1.25 -5.13 113.62 100.28 1h5o n SER 23 Ca 0.56 -3.50 -0.12 0.00 -0.26 0.00 0.00 58.87 55.55 1h5o n SER 23 Cb 0.49 1.87 -0.10 0.00 -0.26 0.00 0.00 64.21 66.21 1h5o n SER 23 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1h5o s ASP 24 N -1.39 -0.55 0.54 4.04 -4.77 -1.26 -1.64 116.67 111.63 1h5o s ASP 24 Ca 0.26 1.00 -0.00 0.00 -3.30 0.00 0.00 52.55 50.51 1h5o s ASP 24 Cb 0.27 0.95 0.02 0.00 -1.09 0.00 0.00 42.92 43.08 1h5o s ASP 24 CO -0.13 -0.18 0.77 -0.36 0.70 0.00 0.00 175.17 175.98 1h5o s PHE 25 N 0.79 2.98 0.00 2.11 0.08 0.17 -4.95 117.98 119.15 1h5o s PHE 25 Ca -0.04 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1h5o s PHE 25 Cb -0.05 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1h5o s PHE 25 CO -0.06 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1h5o n GLY 26 N -2.34 0.60 3.42 4.36 0.00 -1.26 -2.66 105.19 107.31 1h5o n GLY 26 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1h5o n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h5o n LYS 27 N 0.00 3.32 0.00 1.61 5.02 -1.26 -2.92 118.16 123.92 1h5o n LYS 27 Ca 0.00 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.69 1h5o n LYS 27 Cb 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.82 1h5o n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1h5o n MET 28 N 6.38 0.00 -2.08 1.97 2.81 -1.26 -4.69 117.12 120.25 1h5o n MET 28 Ca 0.42 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 56.07 1h5o n MET 28 Cb 0.43 -0.27 0.02 0.00 -0.71 0.00 0.00 33.22 32.69 1h5o n MET 28 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1h5o n ASP 29 N -0.24 4.76 -4.87 7.83 5.68 -1.26 -4.97 116.55 123.49 1h5o n ASP 29 Ca 0.00 -3.67 -0.28 0.00 -0.50 0.00 0.00 54.79 50.34 1h5o n ASP 29 Cb 0.00 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 39.61 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h5o n ARG 31 N -1.66 1.04 0.32 0.00 1.85 -1.26 -4.95 116.66 112.00 1h5o n ARG 31 Ca -0.05 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 1h5o n ARG 31 Cb 0.65 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.96 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 -0.20 -1.36 -0.00 2.89 -0.00 -2.02 -2.99 115.95 112.27 1h5o h TRP 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1h5o h TRP 32 Cb 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 1h5o h TRP 32 CO 0.00 -0.68 -0.02 0.54 -0.00 0.00 0.00 178.44 178.28 1h5o n ARG 33 N -5.49 0.42 -4.14 2.65 1.74 -1.26 -4.89 116.66 105.69 1h5o n ARG 33 Ca -0.13 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.70 1h5o n ARG 33 Cb 0.47 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.60 2.74 0.18 -1.55 0.52 -1.13 -1.07 118.94 116.03 1h5o s TRP 34 Ca 0.27 -0.32 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 1h5o s TRP 34 Cb 0.20 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1h5o s TRP 34 CO 0.47 0.41 0.31 -1.59 0.02 0.00 0.00 176.95 176.57 1h5o s LYS 35 N -3.81 1.24 -0.26 4.98 -2.85 -0.41 -4.21 119.74 114.42 1h5o s LYS 35 Ca 0.36 -1.23 -0.16 0.00 -1.00 0.00 0.00 55.97 53.93 1h5o s LYS 35 Cb -0.04 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1h5o s LYS 35 CO 0.22 -0.46 0.44 0.00 0.10 0.00 0.00 175.35 175.65 1h5o s LYS 38 N -1.48 2.18 0.16 0.00 2.20 -0.65 -3.63 119.74 118.52 1h5o s LYS 38 Ca 0.24 -1.59 0.14 0.00 -0.36 0.00 0.00 55.97 54.40 1h5o s LYS 38 Cb -0.14 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.68 1h5o s LYS 38 CO 0.13 -0.90 1.17 1.57 -0.36 0.00 0.00 175.35 176.97 1h5o h LYS 39 N 8.04 0.00 0.00 4.03 -0.00 -1.81 -3.44 116.57 123.39 1h5o h LYS 39 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 1h5o h LYS 39 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1h5o h LYS 39 CO 0.64 0.51 0.00 0.41 -0.00 0.00 0.00 179.45 181.01 1h5o n GLY 40 N 1.32 -2.02 2.73 0.07 0.00 -1.26 -5.00 105.19 101.03 1h5o n GLY 40 Ca -0.03 0.96 -0.06 0.00 0.00 0.00 0.00 46.02 46.89 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h5o n SER 41 N 0.00 -2.68 0.00 1.61 2.88 -1.26 -5.09 113.62 109.07 1h5o n SER 41 Ca 0.00 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1h5o n SER 41 Cb 0.00 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.03 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42