#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 -0.01 -3.48 5.02 -1.26 -4.76 118.16 113.67 1h5o n LYS 2 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1h5o n LYS 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 -0.03 0.00 1.97 4.15 -1.93 -2.64 115.11 116.62 1h5o h GLN 3 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1h5o h GLN 3 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1h5o h GLN 3 CO 0.00 0.55 -0.81 0.00 -1.93 0.00 0.00 178.83 176.64 1h5o h HIS 5 N 0.00 0.70 -0.45 0.00 -0.00 -1.80 0.38 115.15 113.99 1h5o h HIS 5 Ca -0.01 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.12 1h5o h HIS 5 Cb 1.48 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.71 1h5o h HIS 5 CO 0.00 0.84 -0.00 -0.22 -0.00 0.00 0.00 177.93 178.55 1h5o h LYS 6 N 0.53 0.80 -0.02 5.26 3.64 -1.42 -3.18 116.57 122.18 1h5o h LYS 6 Ca 0.07 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1h5o h LYS 6 Cb 0.77 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1h5o h LYS 6 CO 0.06 0.86 -0.02 0.87 -2.27 0.00 0.00 179.45 178.95 1h5o h LYS 7 N 0.64 0.04 0.00 1.90 1.57 -1.43 -3.49 116.57 115.80 1h5o h LYS 7 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1h5o h LYS 7 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1h5o h LYS 7 CO 0.02 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.84 1h5o n GLY 8 N 0.25 1.13 2.56 3.86 0.00 0.13 -5.11 105.19 108.01 1h5o n GLY 8 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 0.74 3.00 -0.02 0.00 -0.77 -4.93 105.19 103.20 1h5o n GLY 9 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.21 -0.16 0.12 1.61 2.46 -1.24 -4.53 115.29 110.34 1h5o s HIS 10 Ca 0.16 0.40 -0.30 0.00 0.47 0.00 0.00 55.06 55.79 1h5o s HIS 10 Cb -0.02 0.03 -0.06 0.00 -0.13 0.00 0.00 32.58 32.40 1h5o s HIS 10 CO 0.03 -0.09 0.95 0.00 -2.47 0.00 0.00 174.74 173.16 1h5o s PHE 12 N -0.09 1.32 1.08 0.00 0.08 0.40 -4.96 117.98 115.81 1h5o s PHE 12 Ca 0.46 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 57.02 1h5o s PHE 12 Cb -0.23 -0.78 0.17 0.00 -0.57 0.00 0.00 43.02 41.60 1h5o s PHE 12 CO 0.30 0.04 0.64 -2.30 -0.10 0.00 0.00 175.22 173.80 1h5o n PRO 13 N 1.90 -1.52 -0.16 0.24 -0.02 -1.26 -1.42 135.00 132.76 1h5o n PRO 13 Ca -0.18 -0.41 -0.07 0.00 -2.02 0.00 0.00 63.50 60.82 1h5o n PRO 13 Cb 0.54 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.19 0.59 0.00 -0.52 1.63 -1.87 -2.83 116.57 111.38 1h5o h LYS 14 Ca -0.53 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.21 1h5o h LYS 14 Cb 1.32 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1h5o h LYS 14 CO 0.42 0.39 -0.10 1.05 -3.45 0.00 0.00 179.45 177.76 1h5o h GLU 15 N 0.60 0.00 -6.17 1.90 4.11 -1.91 -3.43 114.58 109.69 1h5o h GLU 15 Ca 0.18 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.05 1h5o h GLU 15 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1h5o h GLU 15 CO -0.06 0.10 0.07 0.15 0.07 0.00 0.00 179.01 179.34 1h5o s LYS 16 N -4.53 4.40 -0.18 1.06 -0.14 -1.07 -5.04 119.74 114.25 1h5o s LYS 16 Ca -0.04 0.88 -0.02 0.00 -1.36 0.00 0.00 55.97 55.43 1h5o s LYS 16 Cb 0.15 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.93 1h5o s LYS 16 CO 0.62 0.31 -0.08 0.42 -0.76 0.00 0.00 175.35 175.87 1h5o s ILE 17 N -0.08 3.28 -0.05 2.17 1.01 -1.26 -4.78 121.20 121.49 1h5o s ILE 17 Ca 0.35 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1h5o s ILE 17 Cb -0.19 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1h5o s ILE 17 CO 0.20 0.47 0.37 0.00 0.00 0.00 0.00 174.94 175.98 1h5o s LEU 19 N -0.60 3.95 0.49 0.00 1.98 -1.26 -2.26 118.68 120.98 1h5o s LEU 19 Ca 0.22 -0.02 -0.07 0.00 -2.89 0.00 0.00 54.13 51.36 1h5o s LEU 19 Cb -0.15 -2.09 -0.04 0.00 0.66 0.00 0.00 46.19 44.56 1h5o s LEU 19 CO 0.10 -0.03 0.82 -2.16 -1.89 0.00 0.00 176.35 173.19 1h5o s PRO 20 N 1.66 3.60 0.22 0.98 0.04 -1.26 -5.04 135.00 135.20 1h5o s PRO 20 Ca 0.07 0.33 0.12 0.00 0.04 0.00 0.00 61.00 61.56 1h5o s PRO 20 Cb -0.16 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1h5o s PRO 20 CO 0.09 -0.23 1.39 -1.00 0.04 0.00 0.00 177.00 177.29 1h5o h PRO 21 N 0.34 0.00 -2.77 0.56 0.13 -1.86 -3.35 132.00 125.05 1h5o h PRO 21 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 1h5o h PRO 21 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1h5o h PRO 21 CO 0.62 0.70 2.99 -1.13 -0.23 0.00 0.00 178.00 180.95 1h5o n SER 22 N -3.28 8.31 -2.78 1.44 3.41 -1.26 -4.51 113.62 114.94 1h5o n SER 22 Ca 0.01 -2.86 -0.04 0.00 -0.26 0.00 0.00 58.87 55.72 1h5o n SER 22 Cb 0.81 -1.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.32 1h5o n SER 22 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1h5o s SER 23 N 1.24 -1.28 -0.10 4.04 0.01 -1.26 -5.02 113.70 111.33 1h5o s SER 23 Ca 0.62 -1.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.14 1h5o s SER 23 Cb 0.19 1.67 0.06 0.00 0.21 0.00 0.00 66.02 68.16 1h5o s SER 23 CO -0.08 -0.05 0.64 1.51 0.41 0.00 0.00 173.24 175.67 1h5o s ASP 24 N 0.96 -0.62 0.59 2.44 -4.77 -1.26 -1.93 116.67 112.07 1h5o s ASP 24 Ca 0.28 0.82 -0.09 0.00 -3.30 0.00 0.00 52.55 50.26 1h5o s ASP 24 Cb 0.02 0.74 -0.04 0.00 -1.09 0.00 0.00 42.92 42.55 1h5o s ASP 24 CO -0.06 -0.49 0.97 -0.36 0.70 0.00 0.00 175.17 175.92 1h5o s PHE 25 N -0.79 3.60 0.00 2.11 0.08 0.15 -4.92 117.98 118.21 1h5o s PHE 25 Ca -0.08 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1h5o s PHE 25 Cb -0.02 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1h5o s PHE 25 CO 0.07 -0.60 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 1h5o n GLY 26 N -2.63 0.84 3.46 4.36 0.00 -1.26 -2.69 105.19 107.26 1h5o n GLY 26 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 0.30 3.31 0.00 1.61 1.02 -1.26 -3.27 119.74 121.44 1h5o s LYS 27 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1h5o s LYS 27 Cb 0.00 -4.54 0.00 0.00 -0.52 0.00 0.00 37.83 32.77 1h5o s LYS 27 CO 0.00 -1.82 0.00 -1.33 -0.92 0.00 0.00 175.35 171.28 1h5o n MET 28 N 7.33 0.00 -2.06 1.68 2.81 -1.26 -4.80 117.12 120.82 1h5o n MET 28 Ca 0.08 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.59 1h5o n MET 28 Cb 0.47 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.01 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 0.00 7.03 -3.44 7.83 5.75 -1.26 -4.97 116.55 127.49 1h5o n ASP 29 Ca 0.00 -3.81 -0.18 0.00 -0.01 0.00 0.00 54.79 50.79 1h5o n ASP 29 Cb 0.00 -0.97 -0.08 0.00 -1.03 0.00 0.00 41.12 39.04 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5o n ARG 31 N -0.57 -2.21 0.09 0.00 1.85 -1.26 -4.93 116.66 109.63 1h5o n ARG 31 Ca 0.06 -1.69 -0.12 0.00 -1.00 0.00 0.00 57.85 55.09 1h5o n ARG 31 Cb 0.63 -1.38 -0.06 0.00 -1.05 0.00 0.00 32.46 30.60 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 -2.24 -0.41 -0.01 2.89 2.91 -2.01 -3.06 115.95 114.03 1h5o h TRP 32 Ca -0.38 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.65 1h5o h TRP 32 Cb 1.11 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1h5o h TRP 32 CO 0.00 -0.23 -0.16 0.54 -1.03 0.00 0.00 178.44 177.56 1h5o n ARG 33 N -5.28 1.11 -3.89 2.65 1.74 -1.26 -4.87 116.66 106.86 1h5o n ARG 33 Ca -0.06 -0.64 -0.33 0.00 -0.77 0.00 0.00 57.85 56.05 1h5o n ARG 33 Cb 0.20 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.33 3.54 0.17 -1.55 0.52 -1.16 -2.60 118.94 115.55 1h5o s TRP 34 Ca 0.29 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.86 1h5o s TRP 34 Cb 0.20 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1h5o s TRP 34 CO 0.45 0.62 -0.19 0.15 0.02 0.00 0.00 176.95 178.01 1h5o s LYS 35 N -2.09 1.32 -0.36 4.98 -0.14 -0.51 -4.60 119.74 118.35 1h5o s LYS 35 Ca 0.30 -1.44 -0.14 0.00 -1.36 0.00 0.00 55.97 53.33 1h5o s LYS 35 Cb -0.13 -1.39 -0.01 0.00 -1.68 0.00 0.00 37.83 34.63 1h5o s LYS 35 CO 0.21 0.28 0.27 0.00 -0.76 0.00 0.00 175.35 175.35 1h5o s LYS 38 N -1.97 0.48 0.83 0.00 2.47 -0.81 -3.69 119.74 117.04 1h5o s LYS 38 Ca 0.42 1.27 -0.12 0.00 -1.56 0.00 0.00 55.97 55.98 1h5o s LYS 38 Cb -0.16 0.64 0.10 0.00 -1.46 0.00 0.00 37.83 36.95 1h5o s LYS 38 CO 0.21 -0.24 1.19 0.15 0.16 0.00 0.00 175.35 176.82 1h5o s LYS 39 N 2.78 1.75 -0.08 4.03 1.02 -1.26 -4.04 119.74 123.94 1h5o s LYS 39 Ca -0.03 -0.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.86 1h5o s LYS 39 Cb -0.12 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1h5o s LYS 39 CO -0.17 -1.70 -0.14 0.41 -0.92 0.00 0.00 175.35 172.83 1h5o n GLY 40 N -3.35 -0.64 2.99 -3.33 0.00 -1.26 -4.97 105.19 94.62 1h5o n GLY 40 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1h5o n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h5o s SER 41 N -4.84 -0.27 0.00 1.61 0.15 -1.26 -5.26 113.70 103.82 1h5o s SER 41 Ca -0.11 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1h5o s SER 41 Cb 0.02 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1h5o s SER 41 CO 0.17 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.93