#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 -0.03 2.98 4.81 -1.26 -4.22 118.16 120.44 1h5o n LYS 2 Ca 0.00 0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.34 1h5o n LYS 2 Cb 0.00 -0.41 -0.12 0.00 0.02 0.00 0.00 35.03 34.52 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1h5o h GLN 3 N 0.00 0.14 -0.02 1.64 4.15 -1.93 -2.87 115.11 116.21 1h5o h GLN 3 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 1h5o h GLN 3 Cb 0.00 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1h5o h GLN 3 CO 0.00 0.98 -0.14 0.00 -1.93 0.00 0.00 178.83 177.74 1h5o h HIS 5 N 0.03 0.84 -0.29 0.00 -0.00 -1.73 -1.44 115.15 112.56 1h5o h HIS 5 Ca 0.01 -0.50 -0.12 0.00 -0.00 0.00 0.00 60.37 59.76 1h5o h HIS 5 Cb 0.26 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1h5o h HIS 5 CO 0.00 1.34 -0.29 -0.22 -0.00 0.00 0.00 177.93 178.75 1h5o h LYS 6 N 0.27 0.71 0.30 5.26 1.63 -1.19 -3.35 116.57 120.20 1h5o h LYS 6 Ca -0.13 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 1h5o h LYS 6 Cb 1.76 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1h5o h LYS 6 CO 0.20 0.99 -0.14 0.87 -3.45 0.00 0.00 179.45 177.93 1h5o h LYS 7 N 0.46 -0.38 0.00 1.90 1.57 -1.40 -3.49 116.57 115.23 1h5o h LYS 7 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1h5o h LYS 7 Cb 0.87 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1h5o h LYS 7 CO 0.07 -0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.11 1h5o n GLY 8 N 0.47 -0.11 3.60 3.86 0.00 -1.07 -5.06 105.19 106.87 1h5o n GLY 8 Ca -0.05 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.38 0.08 -0.02 0.00 -0.57 -2.97 107.32 103.47 1h5o s GLY 9 Ca 0.00 0.76 0.08 0.00 0.00 0.00 0.00 44.72 45.56 1h5o s GLY 9 CO 0.00 0.23 -0.22 -1.58 0.00 0.00 0.00 173.10 171.53 1h5o s HIS 10 N -3.07 1.91 -0.09 1.90 2.46 -1.23 -4.45 115.29 112.72 1h5o s HIS 10 Ca 0.08 -0.39 -0.30 0.00 0.47 0.00 0.00 55.06 54.92 1h5o s HIS 10 Cb -0.01 -1.09 -0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1h5o s HIS 10 CO -0.05 0.17 1.07 0.00 -2.47 0.00 0.00 174.74 173.46 1h5o s PHE 12 N 2.10 1.09 0.29 0.00 0.08 0.75 -4.96 117.98 117.33 1h5o s PHE 12 Ca 0.51 -0.70 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 1h5o s PHE 12 Cb -0.20 -0.59 -0.12 0.00 -0.57 0.00 0.00 43.02 41.54 1h5o s PHE 12 CO 0.19 0.00 1.44 -2.30 -0.10 0.00 0.00 175.22 174.45 1h5o n PRO 13 N 0.37 2.30 0.10 0.24 -0.02 -1.26 -0.31 135.00 136.42 1h5o n PRO 13 Ca -0.15 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1h5o n PRO 13 Cb 0.58 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1h5o n PRO 13 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1h5o h LYS 14 N 3.82 0.00 0.00 -0.52 2.10 -0.42 -2.80 116.57 118.74 1h5o h LYS 14 Ca -0.46 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 1h5o h LYS 14 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1h5o h LYS 14 CO 0.72 0.81 -0.13 1.05 -2.00 0.00 0.00 179.45 179.90 1h5o h GLU 15 N 0.00 0.00 -6.81 0.07 4.11 -1.91 -3.41 114.58 106.62 1h5o h GLU 15 Ca -0.01 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.94 1h5o h GLU 15 Cb 1.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1h5o h GLU 15 CO 0.11 0.13 0.28 0.15 0.07 0.00 0.00 179.01 179.75 1h5o s LYS 16 N -4.58 4.48 -0.01 1.06 -0.14 -1.06 -5.02 119.74 114.47 1h5o s LYS 16 Ca -0.04 1.19 -0.22 0.00 -1.36 0.00 0.00 55.97 55.55 1h5o s LYS 16 Cb 0.15 -2.78 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 1h5o s LYS 16 CO 0.65 0.29 0.64 0.42 -0.76 0.00 0.00 175.35 176.60 1h5o s ILE 17 N -1.63 4.90 0.08 2.17 1.01 -1.26 -4.85 121.20 121.62 1h5o s ILE 17 Ca 0.49 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 62.18 1h5o s ILE 17 Cb -0.18 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1h5o s ILE 17 CO 0.22 0.38 1.17 0.00 0.00 0.00 0.00 174.94 176.71 1h5o s LEU 19 N 0.79 2.52 0.71 0.00 1.98 -1.26 -2.42 118.68 120.99 1h5o s LEU 19 Ca 0.57 -0.89 -0.11 0.00 -2.89 0.00 0.00 54.13 50.81 1h5o s LEU 19 Cb -0.29 -1.47 0.01 0.00 0.66 0.00 0.00 46.19 45.10 1h5o s LEU 19 CO 0.30 -0.07 1.08 -2.16 -1.89 0.00 0.00 176.35 173.62 1h5o s PRO 20 N 1.25 2.86 0.35 0.98 0.04 -1.26 -5.02 135.00 134.19 1h5o s PRO 20 Ca 0.00 0.57 0.17 0.00 0.04 0.00 0.00 61.00 61.79 1h5o s PRO 20 Cb -0.15 -2.01 0.62 0.00 0.04 0.00 0.00 34.50 32.99 1h5o s PRO 20 CO -0.10 -1.06 1.71 -1.00 0.04 0.00 0.00 177.00 176.59 1h5o h PRO 21 N -0.68 0.00 0.00 0.56 0.13 -1.89 -2.92 132.00 127.21 1h5o h PRO 21 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1h5o h PRO 21 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1h5o h PRO 21 CO 0.62 0.42 -0.50 0.66 -0.23 0.00 0.00 178.00 178.98 1h5o h SER 22 N 0.00 0.00 -1.51 1.44 4.64 -1.99 -3.35 113.55 112.78 1h5o h SER 22 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.62 1h5o h SER 22 Cb 0.93 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.89 1h5o h SER 22 CO 0.06 0.50 1.70 -0.44 -0.87 0.00 0.00 176.83 177.77 1h5o s SER 23 N -6.75 6.88 -0.15 4.97 0.01 -1.10 -4.92 113.70 112.64 1h5o s SER 23 Ca -0.01 -2.52 -0.08 0.00 1.31 0.00 0.00 55.95 54.64 1h5o s SER 23 Cb 0.13 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.92 1h5o s SER 23 CO 0.73 -1.03 0.37 -0.62 0.41 0.00 0.00 173.24 173.10 1h5o s ASP 24 N 3.72 -0.45 0.12 2.44 2.15 -1.26 -2.13 116.67 121.27 1h5o s ASP 24 Ca 0.47 0.80 0.04 0.00 0.43 0.00 0.00 52.55 54.29 1h5o s ASP 24 Cb 0.00 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 1h5o s ASP 24 CO 0.02 -0.18 0.08 -0.36 -0.17 0.00 0.00 175.17 174.56 1h5o s PHE 25 N 1.32 3.12 0.00 -5.34 0.08 0.15 -4.79 117.98 112.52 1h5o s PHE 25 Ca -0.09 0.01 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1h5o s PHE 25 Cb -0.09 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1h5o s PHE 25 CO -0.11 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 1h5o n GLY 26 N 0.12 0.94 3.57 4.36 0.00 -1.26 -2.63 105.19 110.29 1h5o n GLY 26 Ca -0.09 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1h5o n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5o s LYS 27 N 1.44 3.84 -0.01 1.61 -2.85 -1.26 -2.69 119.74 119.82 1h5o s LYS 27 Ca 0.00 -1.69 -0.00 0.00 -1.00 0.00 0.00 55.97 53.28 1h5o s LYS 27 Cb 0.00 -5.45 -0.00 0.00 -2.06 0.00 0.00 37.83 30.32 1h5o s LYS 27 CO 0.00 -2.22 -0.00 0.52 0.10 0.00 0.00 175.35 173.75 1h5o h MET 28 N 8.40 0.00 -0.73 1.78 2.86 -1.89 -3.45 114.93 121.91 1h5o h MET 28 Ca 0.35 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.66 1h5o h MET 28 Cb 0.92 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.33 1h5o h MET 28 CO 1.43 0.00 -0.74 -3.47 1.06 0.00 0.00 176.91 175.19 1h5o n ASP 29 N -2.28 -0.91 0.00 1.22 2.03 -1.26 -4.73 116.55 110.62 1h5o n ASP 29 Ca -0.00 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1h5o n ASP 29 Cb 0.00 0.76 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 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 0.00 0.00 0.12 0.00 1.85 -1.25 -5.01 116.66 112.37 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 0.92 -0.21 -0.01 2.89 -0.00 -2.02 -3.05 115.95 114.47 1h5o h TRP 32 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1h5o h TRP 32 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.23 1h5o h TRP 32 CO 0.00 -0.09 -0.00 0.54 -0.00 0.00 0.00 178.44 178.89 1h5o n ARG 33 N -5.17 1.36 -4.39 2.65 1.74 -1.26 -4.88 116.66 106.71 1h5o n ARG 33 Ca -0.09 -0.54 -0.28 0.00 -0.77 0.00 0.00 57.85 56.17 1h5o n ARG 33 Cb 0.13 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.01 2.29 0.36 -1.55 0.52 -1.15 0.33 118.94 117.73 1h5o s TRP 34 Ca 0.42 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.21 1h5o s TRP 34 Cb 0.21 -1.21 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1h5o s TRP 34 CO 0.35 0.37 0.18 -1.59 0.02 0.00 0.00 176.95 176.28 1h5o s LYS 35 N -2.19 1.79 -0.13 4.98 -2.85 0.58 -3.83 119.74 118.09 1h5o s LYS 35 Ca 0.15 -2.06 -0.05 0.00 -1.00 0.00 0.00 55.97 53.01 1h5o s LYS 35 Cb -0.10 -0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.41 1h5o s LYS 35 CO 0.07 -0.51 0.07 0.00 0.10 0.00 0.00 175.35 175.07 1h5o s LYS 38 N -1.53 3.99 0.00 0.00 2.20 -0.90 -3.56 119.74 119.94 1h5o s LYS 38 Ca 0.39 0.54 0.25 0.00 -0.36 0.00 0.00 55.97 56.80 1h5o s LYS 38 Cb -0.20 -2.79 1.47 0.00 -1.51 0.00 0.00 37.83 34.79 1h5o s LYS 38 CO 0.24 0.38 1.86 0.36 -0.36 0.00 0.00 175.35 177.84 1h5o n LYS 39 N 0.43 0.72 0.00 4.03 -0.00 -1.16 -4.74 118.16 117.45 1h5o n LYS 39 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1h5o n LYS 39 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1h5o n GLY 40 N 0.62 -0.78 0.00 2.58 0.00 -1.26 -5.05 105.19 101.30 1h5o n GLY 40 Ca 0.18 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 0.00 1.61 2.88 -1.26 -4.62 113.62 112.23 1h5o n SER 41 Ca 0.00 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1h5o n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42