#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 -3.48 5.02 -1.26 -4.42 118.16 113.99 1h5o n LYS 2 Ca 0.00 0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 1h5o n LYS 2 Cb 0.00 -0.53 -0.13 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.10 -0.59 1.97 4.15 -1.90 -2.58 115.11 116.26 1h5o h GLN 3 Ca 0.00 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 1h5o h GLN 3 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1h5o h GLN 3 CO 0.00 1.00 -0.02 0.00 -1.93 0.00 0.00 178.83 177.87 1h5o h HIS 5 N 0.95 0.81 -0.33 0.00 -0.00 -1.72 -2.47 115.15 112.39 1h5o h HIS 5 Ca 0.17 -0.27 -0.08 0.00 -0.00 0.00 0.00 60.37 60.19 1h5o h HIS 5 Cb 0.58 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1h5o h HIS 5 CO 0.04 1.01 -0.11 -0.22 -0.00 0.00 0.00 177.93 178.66 1h5o h LYS 6 N 0.52 0.66 0.03 5.26 3.64 -1.33 -3.31 116.57 122.04 1h5o h LYS 6 Ca 0.03 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1h5o h LYS 6 Cb 1.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1h5o h LYS 6 CO 0.10 0.84 -0.01 0.87 -2.27 0.00 0.00 179.45 178.98 1h5o h LYS 7 N 0.44 -0.04 0.00 1.90 1.57 -1.51 -3.48 116.57 115.44 1h5o h LYS 7 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1h5o h LYS 7 Cb 0.62 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1h5o h LYS 7 CO 0.04 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 1h5o n GLY 8 N 0.25 0.12 3.59 3.86 0.00 -1.08 -4.90 105.19 107.02 1h5o n GLY 8 Ca -0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 0.13 -0.02 0.00 -0.95 -3.93 107.32 102.34 1h5o s GLY 9 Ca 0.00 2.05 0.06 0.00 0.00 0.00 0.00 44.72 46.83 1h5o s GLY 9 CO 0.00 0.90 0.01 -1.58 0.00 0.00 0.00 173.10 172.44 1h5o s HIS 10 N -1.49 2.95 -0.09 1.90 2.46 -1.08 -4.15 115.29 115.80 1h5o s HIS 10 Ca 0.03 -0.07 -0.30 0.00 0.47 0.00 0.00 55.06 55.20 1h5o s HIS 10 Cb -0.01 -1.48 -0.02 0.00 -0.13 0.00 0.00 32.58 30.95 1h5o s HIS 10 CO -0.03 0.50 1.01 0.00 -2.47 0.00 0.00 174.74 173.75 1h5o s PHE 12 N 1.85 1.18 1.28 0.00 0.40 0.34 -4.96 117.98 118.08 1h5o s PHE 12 Ca 0.49 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.29 1h5o s PHE 12 Cb -0.19 -0.69 0.33 0.00 0.51 0.00 0.00 43.02 42.97 1h5o s PHE 12 CO 0.20 0.03 0.98 -2.14 0.70 0.00 0.00 175.22 174.99 1h5o s PRO 13 N -1.24 -1.84 0.14 0.24 0.02 -1.26 -0.69 135.00 130.37 1h5o s PRO 13 Ca 0.00 0.63 -0.12 0.00 0.02 0.00 0.00 61.00 61.53 1h5o s PRO 13 Cb -0.08 -1.46 -0.02 0.00 0.02 0.00 0.00 34.50 32.96 1h5o s PRO 13 CO 0.01 -4.28 1.52 1.57 -0.33 0.00 0.00 177.00 175.50 1h5o h LYS 14 N -3.01 0.88 0.00 5.54 2.10 -1.91 -3.20 116.57 116.97 1h5o h LYS 14 Ca -0.58 -0.38 -0.09 0.00 -2.00 0.00 0.00 60.65 57.60 1h5o h LYS 14 Cb 1.34 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 1h5o h LYS 14 CO 0.43 1.03 -0.44 1.05 -2.00 0.00 0.00 179.45 179.52 1h5o h GLU 15 N 0.71 0.00 -6.81 0.07 9.09 -1.92 -3.45 114.58 112.27 1h5o h GLU 15 Ca 0.10 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.99 1h5o h GLU 15 Cb 0.75 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.89 1h5o h GLU 15 CO 0.06 0.44 0.58 0.15 0.05 0.00 0.00 179.01 180.28 1h5o s LYS 16 N -3.29 4.47 -0.19 1.06 -0.14 -1.21 -4.93 119.74 115.51 1h5o s LYS 16 Ca 0.02 2.03 -0.29 0.00 -1.36 0.00 0.00 55.97 56.37 1h5o s LYS 16 Cb 0.09 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1h5o s LYS 16 CO 0.71 -0.05 1.09 0.42 -0.76 0.00 0.00 175.35 176.76 1h5o s ILE 17 N -0.90 4.59 -0.13 2.17 1.01 -1.26 -4.81 121.20 121.87 1h5o s ILE 17 Ca 0.49 1.91 -0.24 0.00 0.00 0.00 0.00 60.65 62.81 1h5o s ILE 17 Cb -0.36 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 1h5o s ILE 17 CO 0.46 -0.14 0.76 0.00 0.00 0.00 0.00 174.94 176.02 1h5o s LEU 19 N 1.56 2.44 0.71 0.00 1.98 -1.26 -2.17 118.68 121.93 1h5o s LEU 19 Ca 0.37 -0.86 -0.11 0.00 -2.89 0.00 0.00 54.13 50.64 1h5o s LEU 19 Cb -0.17 -1.42 0.01 0.00 0.66 0.00 0.00 46.19 45.27 1h5o s LEU 19 CO 0.15 -0.08 1.07 -2.16 -1.89 0.00 0.00 176.35 173.44 1h5o s PRO 20 N 1.28 2.85 0.28 0.98 0.04 -1.26 -4.95 135.00 134.22 1h5o s PRO 20 Ca 0.00 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.81 1h5o s PRO 20 Cb -0.15 -2.00 0.40 0.00 0.04 0.00 0.00 34.50 32.79 1h5o s PRO 20 CO -0.10 -1.10 1.66 -1.00 0.04 0.00 0.00 177.00 176.50 1h5o h PRO 21 N -0.71 0.19 -2.58 0.56 0.13 -1.86 -3.18 132.00 124.56 1h5o h PRO 21 Ca -0.45 -0.11 -0.75 0.00 -0.87 0.00 0.00 66.00 63.82 1h5o h PRO 21 Cb 1.23 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1h5o h PRO 21 CO 0.60 0.64 2.22 0.43 -0.23 0.00 0.00 178.00 181.66 1h5o n SER 22 N -3.96 7.91 -2.72 1.44 7.64 -1.26 -4.54 113.62 118.13 1h5o n SER 22 Ca -0.02 -3.22 -0.06 0.00 1.01 0.00 0.00 58.87 56.58 1h5o n SER 22 Cb 0.53 -1.34 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1h5o n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1h5o n SER 23 N 1.50 -2.38 -3.64 6.43 7.64 -1.20 -5.13 113.62 116.84 1h5o n SER 23 Ca 0.60 -2.71 -0.15 0.00 1.01 0.00 0.00 58.87 57.62 1h5o n SER 23 Cb 0.25 1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 64.81 1h5o n SER 23 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1h5o s ASP 24 N -0.98 -0.39 0.63 6.43 1.47 -1.26 -1.73 116.67 120.83 1h5o s ASP 24 Ca 0.30 0.28 0.01 0.00 1.18 0.00 0.00 52.55 54.32 1h5o s ASP 24 Cb 0.20 0.43 0.08 0.00 -0.34 0.00 0.00 42.92 43.30 1h5o s ASP 24 CO -0.18 -0.58 0.88 -0.36 0.68 0.00 0.00 175.17 175.61 1h5o s PHE 25 N -1.67 2.16 0.00 2.11 0.08 0.31 -4.94 117.98 116.03 1h5o s PHE 25 Ca -0.10 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1h5o s PHE 25 Cb -0.02 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1h5o s PHE 25 CO 0.04 -1.29 0.00 0.41 -0.10 0.00 0.00 175.22 174.28 1h5o n GLY 26 N -2.57 0.98 3.68 4.36 0.00 -1.26 -3.11 105.19 107.26 1h5o n GLY 26 Ca 0.12 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 1.40 4.31 0.00 1.61 0.00 -1.25 -3.43 119.74 122.37 1h5o s LYS 27 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 55.97 57.69 1h5o s LYS 27 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 37.83 34.21 1h5o s LYS 27 CO 0.00 -0.54 0.00 -1.33 0.00 0.00 0.00 175.35 173.48 1h5o n MET 28 N 5.63 0.00 -2.81 1.78 2.81 -1.26 -4.99 117.12 118.28 1h5o n MET 28 Ca 0.12 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.81 1h5o n MET 28 Cb 0.45 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1h5o n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1h5o n ASP 29 N 0.00 2.79 0.00 7.83 2.03 -1.26 -4.85 116.55 123.08 1h5o n ASP 29 Ca 0.00 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.06 1h5o n ASP 29 Cb 0.00 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1h5o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5o s ARG 31 N -0.22 1.04 0.08 0.00 3.52 -1.26 -5.06 118.95 117.05 1h5o s ARG 31 Ca 0.00 -1.21 -0.22 0.00 -0.13 0.00 0.00 55.73 54.17 1h5o s ARG 31 Cb 0.00 0.34 -0.14 0.00 -1.56 0.00 0.00 34.95 33.59 1h5o s ARG 31 CO 0.00 -0.35 1.67 2.35 -0.81 0.00 0.00 175.30 178.16 1h5o h TRP 32 N 2.67 0.08 -0.89 5.12 2.91 -1.99 -3.08 115.95 120.77 1h5o h TRP 32 Ca -0.33 -0.00 -0.47 0.00 1.13 0.00 0.00 58.89 59.22 1h5o h TRP 32 Cb 1.21 -0.03 -0.28 0.00 -0.51 0.00 0.00 29.16 29.56 1h5o h TRP 32 CO 0.41 0.13 0.54 0.54 -1.03 0.00 0.00 178.44 179.03 1h5o n ARG 33 N -5.01 2.21 -4.29 2.65 1.74 -1.26 -4.59 116.66 108.12 1h5o n ARG 33 Ca -0.06 -3.06 -0.27 0.00 -0.77 0.00 0.00 57.85 53.69 1h5o n ARG 33 Cb 0.07 -2.13 -0.09 0.00 -1.02 0.00 0.00 32.46 29.29 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 -3.32 2.64 0.28 -1.55 0.52 -1.16 -3.28 118.94 113.06 1h5o s TRP 34 Ca 0.55 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.56 1h5o s TRP 34 Cb 0.47 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 1h5o s TRP 34 CO 0.08 0.51 -0.05 -1.59 0.02 0.00 0.00 176.95 175.93 1h5o s LYS 35 N -2.83 2.13 -0.42 4.98 -2.85 0.14 -3.87 119.74 117.01 1h5o s LYS 35 Ca 0.25 -1.54 -0.08 0.00 -1.00 0.00 0.00 55.97 53.60 1h5o s LYS 35 Cb -0.09 -2.05 0.09 0.00 -2.06 0.00 0.00 37.83 33.72 1h5o s LYS 35 CO 0.15 0.33 0.26 0.00 0.10 0.00 0.00 175.35 176.19 1h5o s LYS 38 N -2.91 3.68 -0.02 0.00 2.36 -0.71 -2.65 119.74 119.50 1h5o s LYS 38 Ca 0.59 0.38 -0.00 0.00 -2.55 0.00 0.00 55.97 54.39 1h5o s LYS 38 Cb -0.12 -3.87 -0.01 0.00 -1.05 0.00 0.00 37.83 32.78 1h5o s LYS 38 CO 0.16 -1.12 -0.02 0.36 1.55 0.00 0.00 175.35 176.27 1h5o n LYS 39 N 7.07 0.05 0.00 4.03 2.85 -1.25 -4.80 118.16 126.11 1h5o n LYS 39 Ca 0.07 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1h5o n LYS 39 Cb 0.48 -0.83 0.00 0.00 -0.65 0.00 0.00 35.03 34.03 1h5o n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1h5o n GLY 40 N 3.17 -1.52 2.62 2.58 0.00 -1.26 -5.05 105.19 105.73 1h5o n GLY 40 Ca -0.04 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.34 0.00 1.61 2.88 -1.26 -4.50 113.62 110.01 1h5o n SER 41 Ca 0.00 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1h5o n SER 41 Cb 0.00 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1h5o n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42