#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 0.00 0.06 2.98 1.79 -1.99 -3.33 116.57 116.08 1h5o h LYS 2 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1h5o h LYS 2 Cb 0.00 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1h5o h LYS 2 CO 0.00 0.00 -0.76 0.37 -1.08 0.00 0.00 179.45 177.98 1h5o h GLN 3 N -0.12 0.41 0.00 3.15 5.75 -1.94 -3.29 115.11 119.08 1h5o h GLN 3 Ca 0.00 -0.52 -0.12 0.00 -0.15 0.00 0.00 58.65 57.86 1h5o h GLN 3 Cb 0.01 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1h5o h GLN 3 CO 0.00 1.19 -0.55 0.00 -2.65 0.00 0.00 178.83 176.82 1h5o h HIS 5 N 0.00 0.19 -0.52 0.00 -0.00 -1.70 0.30 115.15 113.43 1h5o h HIS 5 Ca -0.01 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.22 1h5o h HIS 5 Cb 1.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 1h5o h HIS 5 CO 0.00 0.59 -0.05 -0.22 -0.00 0.00 0.00 177.93 178.25 1h5o h LYS 6 N 0.13 0.91 -0.01 5.26 1.63 -1.57 -3.21 116.57 119.72 1h5o h LYS 6 Ca 0.01 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1h5o h LYS 6 Cb 0.85 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1h5o h LYS 6 CO 0.07 0.93 -0.08 0.87 -3.45 0.00 0.00 179.45 177.79 1h5o h LYS 7 N 0.83 0.06 0.00 1.90 1.79 -1.28 -3.49 116.57 116.38 1h5o h LYS 7 Ca 0.15 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1h5o h LYS 7 Cb 0.56 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1h5o h LYS 7 CO 0.03 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 1h5o n GLY 8 N 0.91 0.76 3.60 3.86 0.00 0.10 -5.12 105.19 109.30 1h5o n GLY 8 Ca -0.09 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.43 0.13 -0.02 0.00 -1.02 -4.49 107.32 101.48 1h5o s GLY 9 Ca 0.00 0.81 0.10 0.00 0.00 0.00 0.00 44.72 45.63 1h5o s GLY 9 CO 0.00 0.15 -0.24 0.30 0.00 0.00 0.00 173.10 173.31 1h5o s HIS 10 N -2.32 2.37 0.17 1.90 3.76 -0.11 -4.40 115.29 116.66 1h5o s HIS 10 Ca 0.14 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 1h5o s HIS 10 Cb 0.05 -1.27 -0.07 0.00 1.11 0.00 0.00 32.58 32.40 1h5o s HIS 10 CO -0.05 0.36 0.93 0.00 -0.85 0.00 0.00 174.74 175.14 1h5o s PHE 12 N -0.62 0.75 1.09 0.00 0.40 0.81 -4.94 117.98 115.48 1h5o s PHE 12 Ca 0.43 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1h5o s PHE 12 Cb -0.24 -0.52 0.24 0.00 0.51 0.00 0.00 43.02 43.00 1h5o s PHE 12 CO 0.30 -0.05 1.01 -2.30 0.70 0.00 0.00 175.22 174.88 1h5o n PRO 13 N 3.14 -1.78 -2.46 0.24 -0.02 -1.26 -0.90 135.00 131.96 1h5o n PRO 13 Ca -0.16 -0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 60.46 1h5o n PRO 13 Cb 0.56 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1h5o n PRO 13 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1h5o s LYS 14 N -4.43 3.48 0.00 -0.52 2.20 -0.98 -4.14 119.74 115.35 1h5o s LYS 14 Ca 0.67 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1h5o s LYS 14 Cb -0.24 -5.37 0.00 0.00 -1.51 0.00 0.00 37.83 30.71 1h5o s LYS 14 CO 0.63 -2.53 0.00 -0.85 -0.36 0.00 0.00 175.35 172.24 1h5o n GLU 15 N 8.68 0.67 -4.46 4.03 0.28 -1.26 -5.09 120.64 123.49 1h5o n GLU 15 Ca 0.40 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.18 1h5o n GLU 15 Cb 0.49 -0.25 -0.11 0.00 1.43 0.00 0.00 31.44 33.00 1h5o n GLU 15 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1h5o s LYS 16 N -0.77 1.66 0.19 3.44 1.02 -1.26 -5.12 119.74 118.89 1h5o s LYS 16 Ca 0.00 -1.92 -0.30 0.00 0.02 0.00 0.00 55.97 53.77 1h5o s LYS 16 Cb 0.00 -0.92 -0.08 0.00 -0.52 0.00 0.00 37.83 36.31 1h5o s LYS 16 CO 0.00 -0.17 1.01 0.42 -0.92 0.00 0.00 175.35 175.70 1h5o s ILE 17 N -3.25 4.06 -0.30 2.17 1.01 -1.26 -5.01 121.20 118.61 1h5o s ILE 17 Ca 0.36 1.87 -0.23 0.00 0.00 0.00 0.00 60.65 62.64 1h5o s ILE 17 Cb 0.09 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1h5o s ILE 17 CO 0.15 0.36 0.79 0.00 0.00 0.00 0.00 174.94 176.25 1h5o s LEU 19 N 2.95 0.63 0.88 0.00 1.98 -1.26 -2.87 118.68 120.99 1h5o s LEU 19 Ca 0.32 -0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 51.03 1h5o s LEU 19 Cb -0.14 -0.39 0.12 0.00 0.66 0.00 0.00 46.19 46.44 1h5o s LEU 19 CO 0.12 -0.28 1.09 -2.84 -1.89 0.00 0.00 176.35 172.56 1h5o s PRO 20 N 2.01 1.41 0.20 0.98 0.02 -1.26 -4.72 135.00 133.65 1h5o s PRO 20 Ca 0.02 0.83 0.17 0.00 0.02 0.00 0.00 61.00 62.05 1h5o s PRO 20 Cb -0.15 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1h5o s PRO 20 CO -0.07 -2.14 1.17 -1.00 -0.33 0.00 0.00 177.00 174.64 1h5o h PRO 21 N -1.47 0.00 0.00 5.54 0.13 -1.96 -3.26 132.00 130.98 1h5o h PRO 21 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1h5o h PRO 21 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1h5o h PRO 21 CO 0.55 0.32 -0.23 0.66 -0.23 0.00 0.00 178.00 179.07 1h5o h SER 22 N 0.00 0.00 -1.27 1.44 4.64 -2.00 -3.01 113.55 113.35 1h5o h SER 22 Ca -0.06 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.67 1h5o h SER 22 Cb 1.38 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.26 1h5o h SER 22 CO 0.04 0.23 0.67 -1.54 -0.87 0.00 0.00 176.83 175.36 1h5o n SER 23 N -3.82 6.96 -4.23 4.97 3.41 -1.23 -4.83 113.62 114.86 1h5o n SER 23 Ca -0.02 -3.46 -0.40 0.00 -0.26 0.00 0.00 58.87 54.74 1h5o n SER 23 Cb 0.32 -1.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.05 1h5o n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5o s ASP 24 N -0.39 5.56 0.65 4.04 2.15 -1.14 -2.58 116.67 124.96 1h5o s ASP 24 Ca 0.54 -1.69 -0.11 0.00 0.43 0.00 0.00 52.55 51.72 1h5o s ASP 24 Cb 0.40 -1.96 -0.02 0.00 -0.30 0.00 0.00 42.92 41.04 1h5o s ASP 24 CO -0.23 -0.57 1.05 -0.36 -0.17 0.00 0.00 175.17 174.89 1h5o s PHE 25 N 1.36 3.52 0.00 -5.34 0.08 0.10 -4.98 117.98 112.72 1h5o s PHE 25 Ca 0.04 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.34 1h5o s PHE 25 Cb -0.24 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1h5o s PHE 25 CO 0.00 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1h5o n GLY 26 N -2.75 0.80 3.52 4.36 0.00 -1.26 -3.01 105.19 106.85 1h5o n GLY 26 Ca 0.06 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 2.35 3.19 0.00 1.61 1.02 -1.26 -3.05 119.74 123.60 1h5o s LYS 27 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1h5o s LYS 27 Cb 0.00 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 1h5o s LYS 27 CO 0.00 -2.05 0.00 -1.33 -0.92 0.00 0.00 175.35 171.05 1h5o n MET 28 N 8.84 0.00 -1.17 1.68 2.81 -1.26 -4.90 117.12 123.12 1h5o n MET 28 Ca 0.03 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.76 1h5o n MET 28 Cb 0.48 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 33.14 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 3.89 0.00 7.83 5.75 -1.26 -4.80 116.55 127.96 1h5o n ASP 29 Ca 0.00 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 1h5o n ASP 29 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 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 -0.82 0.59 -0.02 0.00 1.85 -1.26 -5.05 116.66 111.94 1h5o n ARG 31 Ca 0.00 -1.26 -0.11 0.00 -1.00 0.00 0.00 57.85 55.48 1h5o n ARG 31 Cb 0.00 1.51 -0.06 0.00 -1.05 0.00 0.00 32.46 32.86 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 1.54 0.16 -0.64 2.89 2.91 -1.98 -3.13 115.95 117.70 1h5o h TRP 32 Ca -0.18 -0.01 -0.17 0.00 1.13 0.00 0.00 58.89 59.66 1h5o h TRP 32 Cb 0.67 -0.05 -0.10 0.00 -0.51 0.00 0.00 29.16 29.17 1h5o h TRP 32 CO 0.00 0.27 0.21 0.54 -1.03 0.00 0.00 178.44 178.43 1h5o n ARG 33 N -4.91 3.58 -4.35 2.65 1.74 -1.26 -4.88 116.66 109.22 1h5o n ARG 33 Ca -0.06 -2.72 -0.28 0.00 -0.77 0.00 0.00 57.85 54.03 1h5o n ARG 33 Cb 0.12 -2.12 -0.11 0.00 -1.02 0.00 0.00 32.46 29.32 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 -2.67 2.45 0.37 -1.55 0.52 -1.18 -2.32 118.94 114.55 1h5o s TRP 34 Ca 0.49 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.38 1h5o s TRP 34 Cb 0.39 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1h5o s TRP 34 CO 0.12 0.44 0.21 0.15 0.02 0.00 0.00 176.95 177.89 1h5o s LYS 35 N -2.45 2.41 -0.11 4.98 1.02 -0.08 -4.31 119.74 121.19 1h5o s LYS 35 Ca 0.20 -1.58 0.03 0.00 0.02 0.00 0.00 55.97 54.64 1h5o s LYS 35 Cb -0.09 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1h5o s LYS 35 CO 0.11 0.01 -0.22 0.00 -0.92 0.00 0.00 175.35 174.32 1h5o n LYS 38 N 0.65 3.62 -3.85 0.00 4.81 -1.07 -0.94 118.16 121.39 1h5o n LYS 38 Ca -0.16 -4.53 -0.07 0.00 -0.87 0.00 0.00 58.31 52.68 1h5o n LYS 38 Cb 0.57 -2.47 -0.02 0.00 0.02 0.00 0.00 35.03 33.13 1h5o n LYS 38 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1h5o s LYS 39 N -2.06 1.76 0.00 1.64 0.00 -1.26 -4.72 119.74 115.10 1h5o s LYS 39 Ca 0.31 -0.98 0.00 0.00 0.00 0.00 0.00 55.97 55.30 1h5o s LYS 39 Cb -0.00 0.60 0.00 0.00 0.00 0.00 0.00 37.83 38.42 1h5o s LYS 39 CO -0.01 -0.81 0.00 0.41 0.00 0.00 0.00 175.35 174.94 1h5o n GLY 40 N -0.46 -0.01 3.41 0.59 0.00 -1.26 -4.89 105.19 102.56 1h5o n GLY 40 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1h5o n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h5o s SER 41 N -0.04 6.86 0.00 1.61 0.01 -1.26 -5.14 113.70 115.74 1h5o s SER 41 Ca 0.00 -2.62 0.00 0.00 1.31 0.00 0.00 55.95 54.64 1h5o s SER 41 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1h5o s SER 41 CO 0.00 -0.77 0.01 0.61 0.41 0.00 0.00 173.24 173.50