#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 0.12 -3.48 3.00 -1.26 -4.88 118.16 111.66 1h5o n LYS 2 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1h5o n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 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 -0.37 0.10 1.64 4.15 -1.98 -2.98 115.11 115.68 1h5o h GLN 3 Ca 0.00 0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.18 1h5o h GLN 3 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1h5o h GLN 3 CO 0.00 -0.24 -1.17 0.00 -1.93 0.00 0.00 178.83 175.49 1h5o h HIS 5 N 0.16 0.88 0.00 0.00 -0.00 -1.85 0.27 115.15 114.61 1h5o h HIS 5 Ca -0.13 -0.14 -0.20 0.00 -0.00 0.00 0.00 60.37 59.90 1h5o h HIS 5 Cb 1.85 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 29.00 1h5o h HIS 5 CO 0.08 0.83 -0.93 -0.22 -0.00 0.00 0.00 177.93 177.69 1h5o h LYS 6 N 0.75 0.00 0.03 5.26 3.64 -1.65 -3.36 116.57 121.24 1h5o h LYS 6 Ca 0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1h5o h LYS 6 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1h5o h LYS 6 CO 0.03 0.93 -0.02 0.87 -2.27 0.00 0.00 179.45 178.99 1h5o h LYS 7 N 0.00 -0.04 0.00 1.90 1.57 -1.47 -3.50 116.57 115.03 1h5o h LYS 7 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h5o h LYS 7 Cb 1.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1h5o h LYS 7 CO 0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 1h5o n GLY 8 N 1.67 1.01 2.81 3.86 0.00 0.92 -5.11 105.19 110.35 1h5o n GLY 8 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.67 3.02 -0.02 0.00 -1.09 -4.74 105.19 103.03 1h5o n GLY 9 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.96 0.46 0.13 1.61 2.46 -1.15 -4.72 115.29 111.11 1h5o s HIS 10 Ca 0.18 -0.53 -0.28 0.00 0.47 0.00 0.00 55.06 54.90 1h5o s HIS 10 Cb -0.02 -0.29 -0.07 0.00 -0.13 0.00 0.00 32.58 32.07 1h5o s HIS 10 CO 0.03 -0.15 0.87 0.00 -2.47 0.00 0.00 174.74 173.02 1h5o s PHE 12 N -0.52 0.29 0.56 0.00 0.08 0.29 -4.97 117.98 113.71 1h5o s PHE 12 Ca 0.41 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.87 1h5o s PHE 12 Cb -0.23 -0.20 -0.06 0.00 -0.57 0.00 0.00 43.02 41.96 1h5o s PHE 12 CO 0.28 -0.12 0.99 -2.30 -0.10 0.00 0.00 175.22 173.97 1h5o n PRO 13 N 1.96 1.05 -0.06 0.24 -0.02 -1.26 -1.08 135.00 135.83 1h5o n PRO 13 Ca -0.21 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1h5o n PRO 13 Cb 0.56 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.77 0.46 -0.31 -0.52 3.64 -1.83 -3.26 116.57 115.50 1h5o h LYS 14 Ca -0.48 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 58.61 1h5o h LYS 14 Cb 1.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1h5o h LYS 14 CO 0.52 0.85 0.09 1.05 -2.27 0.00 0.00 179.45 179.69 1h5o h GLU 15 N 0.10 0.45 -6.92 1.90 4.11 -1.92 -3.43 114.58 108.87 1h5o h GLU 15 Ca 0.02 -0.06 -0.46 0.00 0.07 0.00 0.00 59.36 58.93 1h5o h GLU 15 Cb 0.79 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1h5o h GLU 15 CO 0.05 0.41 0.29 0.15 0.07 0.00 0.00 179.01 179.98 1h5o s LYS 16 N -5.14 4.30 0.00 1.06 -0.14 -1.23 -5.00 119.74 113.59 1h5o s LYS 16 Ca -0.07 1.09 -0.23 0.00 -1.36 0.00 0.00 55.97 55.40 1h5o s LYS 16 Cb 0.16 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1h5o s LYS 16 CO 0.74 0.12 0.68 0.42 -0.76 0.00 0.00 175.35 176.56 1h5o s ILE 17 N -1.93 4.87 0.11 2.17 1.01 -1.26 -4.86 121.20 121.30 1h5o s ILE 17 Ca 0.56 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 1h5o s ILE 17 Cb -0.13 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1h5o s ILE 17 CO 0.17 0.36 1.05 0.00 0.00 0.00 0.00 174.94 176.52 1h5o s LEU 19 N 0.18 1.16 0.57 0.00 1.98 -1.26 -2.98 118.68 118.32 1h5o s LEU 19 Ca 0.50 -0.60 -0.10 0.00 -2.89 0.00 0.00 54.13 51.04 1h5o s LEU 19 Cb -0.26 -0.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.90 1h5o s LEU 19 CO 0.31 -0.24 0.96 -2.16 -1.89 0.00 0.00 176.35 173.33 1h5o s PRO 20 N 1.82 3.64 -0.57 0.98 0.04 -1.26 -5.08 135.00 134.57 1h5o s PRO 20 Ca 0.01 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 1h5o s PRO 20 Cb -0.15 -2.17 0.18 0.00 0.04 0.00 0.00 34.50 32.40 1h5o s PRO 20 CO -0.07 -0.43 2.45 -0.35 0.04 0.00 0.00 177.00 178.63 1h5o n PRO 21 N -2.43 2.47 0.00 0.56 -0.04 -1.16 -4.61 135.00 129.79 1h5o n PRO 21 Ca 0.05 -2.68 -0.18 0.00 -0.04 0.00 0.00 63.50 60.64 1h5o n PRO 21 Cb 0.54 -2.14 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 1h5o n PRO 21 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h5o h SER 22 N 2.81 0.81 -2.71 3.54 4.64 -1.87 -3.45 113.55 117.32 1h5o h SER 22 Ca 0.45 -0.69 -0.16 0.00 -0.47 0.00 0.00 61.79 60.92 1h5o h SER 22 Cb 0.54 -0.24 -0.30 0.00 -0.31 0.00 0.00 62.40 62.08 1h5o h SER 22 CO 1.08 1.38 -0.46 -0.44 -0.87 0.00 0.00 176.83 177.52 1h5o s SER 23 N -7.03 0.07 -0.35 4.97 0.01 -1.24 -4.72 113.70 105.40 1h5o s SER 23 Ca -0.11 0.78 -0.01 0.00 1.31 0.00 0.00 55.95 57.91 1h5o s SER 23 Cb 0.07 0.99 0.08 0.00 0.21 0.00 0.00 66.02 67.37 1h5o s SER 23 CO 0.88 -0.24 0.09 -0.62 0.41 0.00 0.00 173.24 173.77 1h5o s ASP 24 N 2.49 5.02 0.69 2.44 -1.08 -1.26 -3.03 116.67 121.94 1h5o s ASP 24 Ca -0.00 -1.71 -0.11 0.00 -0.52 0.00 0.00 52.55 50.21 1h5o s ASP 24 Cb -0.12 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 1h5o s ASP 24 CO -0.10 -0.39 1.08 -0.36 0.52 0.00 0.00 175.17 175.91 1h5o s PHE 25 N 1.16 3.35 0.00 -5.34 0.08 0.57 -4.97 117.98 112.83 1h5o s PHE 25 Ca 0.02 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.23 1h5o s PHE 25 Cb -0.21 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 1h5o s PHE 25 CO -0.03 -1.10 0.00 0.41 -0.10 0.00 0.00 175.22 174.40 1h5o n GLY 26 N -2.78 0.56 3.53 4.36 0.00 -1.26 -3.03 105.19 106.57 1h5o n GLY 26 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 3.00 3.30 0.00 1.61 1.02 -1.26 -3.29 119.74 124.12 1h5o s LYS 27 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1h5o s LYS 27 Cb 0.00 -4.53 0.00 0.00 -0.52 0.00 0.00 37.83 32.78 1h5o s LYS 27 CO 0.00 -2.08 0.00 -1.33 -0.92 0.00 0.00 175.35 171.02 1h5o n MET 28 N 8.76 0.00 -1.70 1.68 2.81 -1.26 -4.86 117.12 122.55 1h5o n MET 28 Ca 0.11 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.68 1h5o n MET 28 Cb 0.49 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.00 7.04 -4.16 7.83 8.00 -1.26 -4.77 116.55 129.23 1h5o n ASP 29 Ca 0.00 -3.22 -0.17 0.00 0.71 0.00 0.00 54.79 52.11 1h5o n ASP 29 Cb 0.00 -1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 39.74 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5o s ARG 31 N -3.95 0.27 0.13 0.00 3.52 -1.26 -4.88 118.95 112.77 1h5o s ARG 31 Ca 0.37 0.94 -0.23 0.00 -0.13 0.00 0.00 55.73 56.68 1h5o s ARG 31 Cb 0.06 -1.68 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 1h5o s ARG 31 CO 0.15 -2.95 1.67 2.35 -0.81 0.00 0.00 175.30 175.71 1h5o h TRP 32 N -2.07 -0.38 -0.61 5.12 2.91 -2.01 -1.93 115.95 116.98 1h5o h TRP 32 Ca -0.53 0.02 -0.18 0.00 1.13 0.00 0.00 58.89 59.33 1h5o h TRP 32 Cb 1.30 0.18 -0.11 0.00 -0.51 0.00 0.00 29.16 30.03 1h5o h TRP 32 CO 0.36 -0.22 0.23 0.54 -1.03 0.00 0.00 178.44 178.32 1h5o n ARG 33 N -5.29 3.24 -2.64 2.65 1.74 -1.26 -4.90 116.66 110.20 1h5o n ARG 33 Ca -0.04 -2.49 -0.12 0.00 -0.77 0.00 0.00 57.85 54.43 1h5o n ARG 33 Cb 0.21 -2.05 -0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1h5o n ARG 33 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1h5o n TRP 34 N -0.06 -0.87 -3.94 -1.55 7.02 -0.73 -3.06 117.44 114.24 1h5o n TRP 34 Ca 0.33 -1.06 -0.09 0.00 -1.02 0.00 0.00 57.50 55.66 1h5o n TRP 34 Cb 1.20 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 29.84 1h5o n TRP 34 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1h5o s LYS 35 N -2.99 1.34 -0.05 -0.99 -2.85 -0.24 -4.54 119.74 109.41 1h5o s LYS 35 Ca 0.12 -1.16 0.02 0.00 -1.00 0.00 0.00 55.97 53.95 1h5o s LYS 35 Cb -0.01 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1h5o s LYS 35 CO 0.08 -0.53 -0.09 0.00 0.10 0.00 0.00 175.35 174.91 1h5o s LYS 38 N -2.40 0.30 0.86 0.00 2.20 -1.17 -2.96 119.74 116.58 1h5o s LYS 38 Ca 0.16 0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 56.26 1h5o s LYS 38 Cb -0.09 -0.04 0.12 0.00 -1.51 0.00 0.00 37.83 36.32 1h5o s LYS 38 CO 0.08 -0.14 1.23 -1.59 -0.36 0.00 0.00 175.35 174.56 1h5o s LYS 39 N 1.15 1.50 0.00 4.03 -2.85 -1.26 -3.69 119.74 118.62 1h5o s LYS 39 Ca -0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1h5o s LYS 39 Cb -0.08 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 1h5o s LYS 39 CO -0.09 -1.88 0.00 0.41 0.10 0.00 0.00 175.35 173.89 1h5o n GLY 40 N -3.47 0.06 2.51 0.59 0.00 -1.26 -4.78 105.19 98.84 1h5o n GLY 40 Ca 0.11 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 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 7.01 0.00 1.61 3.41 -1.26 -4.88 113.62 119.51 1h5o n SER 41 Ca 0.00 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1h5o n SER 41 Cb 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49