#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 -0.84 0.09 2.98 1.79 -1.99 -1.72 116.57 116.88 1h5o h LYS 2 Ca 0.00 0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.35 1h5o h LYS 2 Cb 0.00 0.19 0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1h5o h LYS 2 CO 0.00 -0.56 -0.73 0.37 -1.08 0.00 0.00 179.45 177.45 1h5o h GLN 3 N -0.87 0.33 -0.85 3.15 5.75 -1.96 -3.12 115.11 117.54 1h5o h GLN 3 Ca -0.09 -0.48 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1h5o h GLN 3 Cb 0.67 0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 1h5o h GLN 3 CO 0.14 1.19 0.48 0.00 -2.65 0.00 0.00 178.83 177.99 1h5o h HIS 5 N 1.18 0.72 -0.42 0.00 -0.00 -1.45 -2.12 115.15 113.06 1h5o h HIS 5 Ca 0.30 -0.26 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 1h5o h HIS 5 Cb 0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1h5o h HIS 5 CO 0.00 1.00 -0.20 -0.22 -0.00 0.00 0.00 177.93 178.51 1h5o h LYS 6 N 0.44 0.83 0.07 5.26 3.64 -1.39 -3.24 116.57 122.17 1h5o h LYS 6 Ca 0.01 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1h5o h LYS 6 Cb 1.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1h5o h LYS 6 CO 0.11 0.96 -0.03 0.87 -2.27 0.00 0.00 179.45 179.08 1h5o h LYS 7 N 0.73 -0.09 0.00 1.90 1.57 -1.45 -3.48 116.57 115.75 1h5o h LYS 7 Ca 0.10 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1h5o h LYS 7 Cb 0.72 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1h5o h LYS 7 CO 0.06 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 1h5o n GLY 8 N 0.56 -0.33 1.67 3.86 0.00 -1.08 -5.14 105.19 104.73 1h5o n GLY 8 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.48 3.10 -0.02 0.00 -0.82 -4.38 105.19 103.56 1h5o n GLY 9 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.72 0.16 -0.24 1.61 3.76 -1.23 -4.06 115.29 112.57 1h5o s HIS 10 Ca 0.12 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 1h5o s HIS 10 Cb -0.00 -0.12 0.01 0.00 1.11 0.00 0.00 32.58 33.58 1h5o s HIS 10 CO -0.00 -0.33 1.09 0.00 -0.85 0.00 0.00 174.74 174.65 1h5o s PHE 12 N 3.39 1.62 1.18 0.00 0.08 0.03 -4.97 117.98 119.30 1h5o s PHE 12 Ca 0.47 -0.47 -0.13 0.00 0.12 0.00 0.00 56.93 56.92 1h5o s PHE 12 Cb -0.16 -0.86 0.29 0.00 -0.57 0.00 0.00 43.02 41.73 1h5o s PHE 12 CO 0.10 0.20 1.03 -2.14 -0.10 0.00 0.00 175.22 174.31 1h5o s PRO 13 N -2.28 -1.04 0.10 0.24 0.02 -1.26 -0.46 135.00 130.31 1h5o s PRO 13 Ca 0.08 0.91 -0.24 0.00 0.02 0.00 0.00 61.00 61.77 1h5o s PRO 13 Cb -0.08 -1.53 -0.12 0.00 0.02 0.00 0.00 34.50 32.79 1h5o s PRO 13 CO 0.04 -3.83 1.71 -0.22 -0.33 0.00 0.00 177.00 174.37 1h5o h LYS 14 N -2.70 -0.17 0.00 5.54 3.64 -1.55 -3.04 116.57 118.28 1h5o h LYS 14 Ca -0.62 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 1h5o h LYS 14 Cb 1.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1h5o h LYS 14 CO 0.49 -0.11 -0.10 1.05 -2.27 0.00 0.00 179.45 178.50 1h5o h GLU 15 N -0.18 0.00 -6.62 1.90 4.11 -1.92 -3.42 114.58 108.45 1h5o h GLU 15 Ca 0.01 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.92 1h5o h GLU 15 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1h5o h GLU 15 CO -0.03 0.10 0.53 0.15 0.07 0.00 0.00 179.01 179.83 1h5o s LYS 16 N -4.50 4.52 -0.01 1.06 -0.14 -1.15 -4.98 119.74 114.54 1h5o s LYS 16 Ca -0.04 1.80 -0.25 0.00 -1.36 0.00 0.00 55.97 56.12 1h5o s LYS 16 Cb 0.15 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1h5o s LYS 16 CO 0.62 -0.06 0.75 0.42 -0.76 0.00 0.00 175.35 176.32 1h5o s ILE 17 N 0.10 4.88 0.17 2.17 1.01 -1.26 -4.81 121.20 123.46 1h5o s ILE 17 Ca 0.53 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 1h5o s ILE 17 Cb -0.31 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 1h5o s ILE 17 CO 0.35 0.30 1.01 0.00 0.00 0.00 0.00 174.94 176.59 1h5o s LEU 19 N -0.47 2.31 0.73 0.00 1.98 -1.26 -2.82 118.68 119.16 1h5o s LEU 19 Ca 0.46 -0.78 -0.11 0.00 -2.89 0.00 0.00 54.13 50.81 1h5o s LEU 19 Cb -0.26 -1.44 0.03 0.00 0.66 0.00 0.00 46.19 45.18 1h5o s LEU 19 CO 0.33 -0.05 1.11 -2.16 -1.89 0.00 0.00 176.35 173.69 1h5o s PRO 20 N 1.29 2.58 0.27 0.98 0.04 -1.26 -4.47 135.00 134.42 1h5o s PRO 20 Ca 0.02 0.33 -0.04 0.00 0.04 0.00 0.00 61.00 61.35 1h5o s PRO 20 Cb -0.14 -2.01 0.35 0.00 0.04 0.00 0.00 34.50 32.73 1h5o s PRO 20 CO -0.11 -1.19 1.93 -1.35 0.04 0.00 0.00 177.00 176.32 1h5o h PRO 21 N -0.76 1.22 -2.59 0.56 0.11 -1.93 -2.85 132.00 125.76 1h5o h PRO 21 Ca -0.45 -0.07 -0.73 0.00 0.11 0.00 0.00 66.00 64.86 1h5o h PRO 21 Cb 1.28 -0.28 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 1h5o h PRO 21 CO 0.64 0.81 2.33 -1.13 -0.21 0.00 0.00 178.00 180.44 1h5o n SER 22 N -4.41 7.98 -3.00 -2.05 3.41 -1.26 -4.63 113.62 109.66 1h5o n SER 22 Ca 0.12 -3.14 -0.01 0.00 -0.26 0.00 0.00 58.87 55.59 1h5o n SER 22 Cb 0.06 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1h5o n SER 22 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1h5o s SER 23 N 0.41 -1.41 -0.25 4.04 0.15 -1.08 -5.09 113.70 110.47 1h5o s SER 23 Ca 0.55 -1.11 -0.12 0.00 0.70 0.00 0.00 55.95 55.96 1h5o s SER 23 Cb 0.20 1.82 0.09 0.00 -1.71 0.00 0.00 66.02 66.41 1h5o s SER 23 CO -0.10 -0.11 0.59 -0.62 1.20 0.00 0.00 173.24 174.20 1h5o s ASP 24 N 1.44 -0.82 0.45 5.45 2.15 -1.26 -2.82 116.67 121.27 1h5o s ASP 24 Ca 0.22 1.33 -0.14 0.00 0.43 0.00 0.00 52.55 54.39 1h5o s ASP 24 Cb -0.02 1.45 -0.07 0.00 -0.30 0.00 0.00 42.92 43.98 1h5o s ASP 24 CO -0.07 -0.22 0.87 -0.36 -0.17 0.00 0.00 175.17 175.22 1h5o s PHE 25 N 1.97 3.45 0.00 -5.34 0.08 0.25 -4.90 117.98 113.48 1h5o s PHE 25 Ca -0.08 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1h5o s PHE 25 Cb -0.08 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1h5o s PHE 25 CO -0.17 -0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.15 1h5o n GLY 26 N -1.32 0.85 3.51 4.36 0.00 -1.26 -3.05 105.19 108.27 1h5o n GLY 26 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 0.35 3.37 0.00 1.61 1.02 -1.26 -3.32 119.74 121.52 1h5o s LYS 27 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1h5o s LYS 27 Cb 0.00 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 1h5o s LYS 27 CO 0.00 -2.00 0.00 -1.33 -0.92 0.00 0.00 175.35 171.10 1h5o n MET 28 N 8.18 0.00 -2.74 1.68 2.81 -1.26 -4.91 117.12 120.87 1h5o n MET 28 Ca 0.14 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 56.06 1h5o n MET 28 Cb 0.49 -0.39 0.07 0.00 -0.71 0.00 0.00 33.22 32.68 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 -1.29 0.59 0.00 7.83 5.68 -1.26 -5.01 116.55 123.10 1h5o n ASP 29 Ca 0.00 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1h5o n ASP 29 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 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 0.00 -0.87 0.18 0.00 1.85 -1.26 -4.97 116.66 111.59 1h5o n ARG 31 Ca 0.00 -1.96 -0.14 0.00 -1.00 0.00 0.00 57.85 54.75 1h5o n ARG 31 Cb 0.00 -1.06 -0.07 0.00 -1.05 0.00 0.00 32.46 30.29 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 -1.41 -0.58 -0.52 2.89 2.91 -2.02 -3.02 115.95 114.21 1h5o h TRP 32 Ca -0.36 -0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.48 1h5o h TRP 32 Cb 1.05 0.22 -0.11 0.00 -0.51 0.00 0.00 29.16 29.81 1h5o h TRP 32 CO 0.00 -0.33 0.23 0.54 -1.03 0.00 0.00 178.44 177.84 1h5o n ARG 33 N -5.35 2.64 -4.29 2.65 1.74 -1.26 -4.90 116.66 107.90 1h5o n ARG 33 Ca -0.09 -2.01 -0.26 0.00 -0.77 0.00 0.00 57.85 54.72 1h5o n ARG 33 Cb 0.26 -1.88 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 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 -2.15 2.65 0.33 -1.55 0.52 -1.14 -1.37 118.94 116.23 1h5o s TRP 34 Ca 0.36 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.36 1h5o s TRP 34 Cb 0.29 -1.28 -0.06 0.00 -1.15 0.00 0.00 33.47 31.27 1h5o s TRP 34 CO 0.09 0.52 -0.11 0.15 0.02 0.00 0.00 176.95 177.62 1h5o s LYS 35 N -2.90 1.78 -0.31 4.98 1.02 0.39 -4.50 119.74 120.20 1h5o s LYS 35 Ca 0.26 -1.90 -0.05 0.00 0.02 0.00 0.00 55.97 54.29 1h5o s LYS 35 Cb -0.09 -1.69 0.03 0.00 -0.52 0.00 0.00 37.83 35.57 1h5o s LYS 35 CO 0.16 0.17 0.06 0.00 -0.92 0.00 0.00 175.35 174.81 1h5o s LYS 38 N -1.98 2.35 1.06 0.00 2.20 -1.13 -3.53 119.74 118.71 1h5o s LYS 38 Ca 0.50 -0.81 -0.18 0.00 -0.36 0.00 0.00 55.97 55.12 1h5o s LYS 38 Cb -0.21 -2.34 0.24 0.00 -1.51 0.00 0.00 37.83 34.01 1h5o s LYS 38 CO 0.27 0.59 1.26 -1.59 -0.36 0.00 0.00 175.35 175.52 1h5o s LYS 39 N -1.17 -0.15 0.00 4.03 0.00 -1.26 -4.49 119.74 116.69 1h5o s LYS 39 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 55.97 55.76 1h5o s LYS 39 Cb -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 37.83 35.98 1h5o s LYS 39 CO 0.04 -2.95 0.00 0.41 0.00 0.00 0.00 175.35 172.85 1h5o n GLY 40 N -2.84 0.56 3.13 0.59 0.00 -1.26 -4.84 105.19 100.52 1h5o n GLY 40 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1h5o n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h5o n SER 41 N 0.00 4.86 0.00 1.61 7.64 -1.26 -5.10 113.62 121.37 1h5o n SER 41 Ca 0.00 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1h5o n SER 41 Cb 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.61 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64