#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 0.18 -0.06 2.98 4.76 -1.26 -4.17 118.16 120.59 1h5o n LYS 2 Ca 0.00 0.35 -0.13 0.00 -2.87 0.00 0.00 58.31 55.66 1h5o n LYS 2 Cb 0.00 -1.12 -0.12 0.00 -1.84 0.00 0.00 35.03 31.96 1h5o n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1h5o h GLN 3 N -0.40 -0.01 -0.04 1.97 5.75 -1.91 -3.23 115.11 117.24 1h5o h GLN 3 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1h5o h GLN 3 Cb 0.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1h5o h GLN 3 CO 0.00 0.84 -0.12 0.00 -2.65 0.00 0.00 178.83 176.89 1h5o h HIS 5 N 0.06 0.13 -0.21 0.00 -0.00 -1.72 -0.78 115.15 112.63 1h5o h HIS 5 Ca 0.01 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 1h5o h HIS 5 Cb 0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1h5o h HIS 5 CO 0.00 0.68 -0.43 0.87 -0.00 0.00 0.00 177.93 179.05 1h5o h LYS 6 N 0.07 0.65 -0.09 5.26 1.57 -1.48 -3.32 116.57 119.23 1h5o h LYS 6 Ca -0.01 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 1h5o h LYS 6 Cb 1.10 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1h5o h LYS 6 CO 0.09 1.05 -0.38 0.87 -0.57 0.00 0.00 179.45 180.50 1h5o h LYS 7 N 0.35 0.42 0.00 3.15 1.57 -1.49 -3.49 116.57 117.07 1h5o h LYS 7 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1h5o h LYS 7 Cb 1.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1h5o h LYS 7 CO 0.10 0.96 0.00 0.41 -0.57 0.00 0.00 179.45 180.35 1h5o n GLY 8 N 0.67 0.62 3.41 3.86 0.00 -0.38 -5.13 105.19 108.25 1h5o n GLY 8 Ca -0.08 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.58 0.03 -0.02 0.00 -0.69 -4.87 107.32 101.19 1h5o s GLY 9 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.26 1h5o s GLY 9 CO 0.00 0.16 -0.10 0.30 0.00 0.00 0.00 173.10 173.47 1h5o s HIS 10 N -3.58 2.79 0.11 1.90 3.76 -1.23 -4.39 115.29 114.64 1h5o s HIS 10 Ca 0.00 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.50 1h5o s HIS 10 Cb -0.01 -1.54 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 1h5o s HIS 10 CO -0.11 0.36 0.99 0.00 -0.85 0.00 0.00 174.74 175.12 1h5o s PHE 12 N 0.09 0.26 0.98 0.00 0.08 0.12 -4.97 117.98 114.53 1h5o s PHE 12 Ca 0.48 -0.58 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 1h5o s PHE 12 Cb -0.24 -0.19 0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1h5o s PHE 12 CO 0.30 -0.33 0.31 -2.30 -0.10 0.00 0.00 175.22 173.10 1h5o n PRO 13 N 0.84 -0.49 0.24 0.24 -0.02 -1.26 -0.18 135.00 134.38 1h5o n PRO 13 Ca -0.19 -0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.25 1h5o n PRO 13 Cb 0.58 -1.81 0.59 0.00 -0.02 0.00 0.00 33.50 32.83 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 -1.63 0.00 0.00 -0.52 2.10 -1.75 -2.31 116.57 112.46 1h5o h LYS 14 Ca -0.45 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 1h5o h LYS 14 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1h5o h LYS 14 CO 0.35 0.10 -0.25 1.05 -2.00 0.00 0.00 179.45 178.70 1h5o h GLU 15 N 0.00 0.00 -6.20 0.07 4.11 -1.89 -3.45 114.58 107.22 1h5o h GLU 15 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.87 1h5o h GLU 15 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1h5o h GLU 15 CO 0.01 0.25 0.06 0.15 0.07 0.00 0.00 179.01 179.55 1h5o s LYS 16 N -3.83 4.38 -0.06 1.06 -0.14 -0.87 -5.05 119.74 115.24 1h5o s LYS 16 Ca -0.01 0.87 0.02 0.00 -1.36 0.00 0.00 55.97 55.50 1h5o s LYS 16 Cb 0.12 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.94 1h5o s LYS 16 CO 0.64 0.38 -0.13 0.42 -0.76 0.00 0.00 175.35 175.91 1h5o s ILE 17 N -0.30 1.15 -0.59 2.17 1.01 -1.26 -4.85 121.20 118.53 1h5o s ILE 17 Ca 0.34 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 1h5o s ILE 17 Cb -0.19 -1.05 0.08 0.00 0.01 0.00 0.00 42.46 41.31 1h5o s ILE 17 CO 0.20 0.36 0.78 0.00 0.00 0.00 0.00 174.94 176.28 1h5o s LEU 19 N 3.19 4.47 0.68 0.00 2.96 -1.26 -4.30 118.68 124.42 1h5o s LEU 19 Ca 0.17 2.43 -0.07 0.00 -0.22 0.00 0.00 54.13 56.44 1h5o s LEU 19 Cb -0.20 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.91 1h5o s LEU 19 CO 0.10 -0.38 0.99 -2.16 -1.32 0.00 0.00 176.35 173.59 1h5o s PRO 20 N -1.15 2.44 -0.71 0.98 0.04 -1.26 -4.84 135.00 130.49 1h5o s PRO 20 Ca 0.49 -0.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.38 1h5o s PRO 20 Cb -0.36 -2.18 0.15 0.00 0.04 0.00 0.00 34.50 32.15 1h5o s PRO 20 CO 0.44 -1.08 2.49 -0.35 0.04 0.00 0.00 177.00 178.54 1h5o n PRO 21 N -2.85 3.03 -0.08 0.56 -0.04 -1.26 -4.56 135.00 129.81 1h5o n PRO 21 Ca 0.07 -2.93 -0.07 0.00 -0.04 0.00 0.00 63.50 60.53 1h5o n PRO 21 Cb 0.59 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 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 0.65 1.84 -4.33 3.54 2.88 -1.26 -4.65 113.62 112.28 1h5o n SER 22 Ca 0.52 0.56 -0.45 0.00 -1.33 0.00 0.00 58.87 58.17 1h5o n SER 22 Cb 0.42 -0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 63.02 1h5o n SER 22 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1h5o s SER 23 N -5.85 7.18 -0.40 -3.46 0.15 -1.19 -4.97 113.70 105.17 1h5o s SER 23 Ca -0.19 -3.41 -0.06 0.00 0.70 0.00 0.00 55.95 52.99 1h5o s SER 23 Cb 0.03 -2.20 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 1h5o s SER 23 CO 0.28 -0.34 0.21 -0.62 1.20 0.00 0.00 173.24 173.97 1h5o s ASP 24 N 1.47 5.42 0.55 5.45 2.15 -1.26 -1.13 116.67 129.31 1h5o s ASP 24 Ca 0.28 -1.66 -0.11 0.00 0.43 0.00 0.00 52.55 51.49 1h5o s ASP 24 Cb -0.10 -1.90 -0.05 0.00 -0.30 0.00 0.00 42.92 40.57 1h5o s ASP 24 CO -0.08 -0.51 0.95 -0.36 -0.17 0.00 0.00 175.17 174.99 1h5o s PHE 25 N 1.31 3.56 0.00 -5.34 0.08 0.39 -4.99 117.98 112.99 1h5o s PHE 25 Ca 0.04 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1h5o s PHE 25 Cb -0.23 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1h5o s PHE 25 CO -0.00 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.04 1h5o n GLY 26 N -2.25 1.16 3.57 4.36 0.00 -1.26 -2.97 105.19 107.80 1h5o n GLY 26 Ca 0.05 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 1.97 3.28 0.00 1.61 -2.85 -1.26 -3.02 119.74 119.46 1h5o s LYS 27 Ca 0.00 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1h5o s LYS 27 Cb 0.00 -4.14 0.00 0.00 -2.06 0.00 0.00 37.83 31.63 1h5o s LYS 27 CO 0.00 -1.97 0.00 -1.33 0.10 0.00 0.00 175.35 172.15 1h5o n MET 28 N 8.69 0.00 -2.86 1.78 2.81 -1.26 -4.95 117.12 121.33 1h5o n MET 28 Ca 0.13 0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 1h5o n MET 28 Cb 0.49 -0.29 0.06 0.00 -0.71 0.00 0.00 33.22 32.77 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 -1.68 -1.24 0.00 7.83 5.75 -1.26 -4.90 116.55 121.04 1h5o n ASP 29 Ca 0.00 -3.36 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 1h5o n ASP 29 Cb 0.00 1.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5o s ARG 31 N -0.88 1.29 0.11 0.00 3.52 -1.26 -5.03 118.95 116.70 1h5o s ARG 31 Ca 0.00 -1.06 -0.21 0.00 -0.13 0.00 0.00 55.73 54.33 1h5o s ARG 31 Cb 0.00 0.44 -0.10 0.00 -1.56 0.00 0.00 34.95 33.74 1h5o s ARG 31 CO 0.00 -0.51 1.74 2.35 -0.81 0.00 0.00 175.30 178.07 1h5o h TRP 32 N 2.37 0.18 -0.67 5.12 2.91 -2.02 -3.07 115.95 120.78 1h5o h TRP 32 Ca -0.30 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.72 1h5o h TRP 32 Cb 1.24 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1h5o h TRP 32 CO 0.38 0.14 0.00 0.54 -1.03 0.00 0.00 178.44 178.47 1h5o n ARG 33 N -4.98 3.50 -3.89 2.65 1.74 -1.26 -4.87 116.66 109.56 1h5o n ARG 33 Ca -0.04 -2.84 -0.22 0.00 -0.77 0.00 0.00 57.85 53.97 1h5o n ARG 33 Cb 0.04 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 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 -1.64 2.81 0.29 -1.55 0.52 -1.16 -2.14 118.94 116.07 1h5o s TRP 34 Ca 0.51 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 1h5o s TRP 34 Cb 0.31 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 1h5o s TRP 34 CO 0.27 0.20 0.39 -1.59 0.02 0.00 0.00 176.95 176.24 1h5o s LYS 35 N -3.96 1.68 -0.20 4.98 -2.85 0.75 -4.20 119.74 115.95 1h5o s LYS 35 Ca 0.41 -1.64 -0.04 0.00 -1.00 0.00 0.00 55.97 53.70 1h5o s LYS 35 Cb -0.04 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1h5o s LYS 35 CO 0.25 -0.67 -0.03 0.00 0.10 0.00 0.00 175.35 175.01 1h5o s LYS 38 N -2.35 0.31 0.00 0.00 2.36 -0.28 -3.53 119.74 116.25 1h5o s LYS 38 Ca 0.29 0.66 0.00 0.00 -2.55 0.00 0.00 55.97 54.37 1h5o s LYS 38 Cb -0.12 -0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.60 1h5o s LYS 38 CO 0.22 -0.16 0.00 1.63 1.55 0.00 0.00 175.35 178.59 1h5o n LYS 39 N 4.19 2.08 0.00 4.03 5.02 -1.26 -3.18 118.16 129.04 1h5o n LYS 39 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1h5o n LYS 39 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h5o n GLY 40 N 3.74 -2.29 0.04 0.72 0.00 -1.26 -4.06 105.19 102.08 1h5o n GLY 40 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.78 1h5o n GLY 40 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h5o h SER 41 N 0.00 0.00 0.00 1.61 0.87 -1.95 -3.52 113.55 110.56 1h5o h SER 41 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1h5o h SER 41 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1h5o h SER 41 CO 0.00 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.34