#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 0.66 0.03 2.98 3.64 -1.99 -2.34 116.57 119.54 1h5o h LYS 2 Ca 0.00 -0.56 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 1h5o h LYS 2 Cb 0.00 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1h5o h LYS 2 CO 0.00 1.18 -0.29 0.37 -2.27 0.00 0.00 179.45 178.44 1h5o h GLN 3 N 0.44 0.14 -0.19 1.90 4.15 -1.96 -3.16 115.11 116.43 1h5o h GLN 3 Ca -0.06 -0.19 -0.17 0.00 0.77 0.00 0.00 58.65 59.00 1h5o h GLN 3 Cb 1.43 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 1h5o h GLN 3 CO 0.16 1.02 -0.58 0.00 -1.93 0.00 0.00 178.83 177.49 1h5o h HIS 5 N 0.45 0.73 -0.54 0.00 -0.00 -1.59 -2.71 115.15 111.49 1h5o h HIS 5 Ca 0.00 -0.43 -0.03 0.00 -0.00 0.00 0.00 60.37 59.92 1h5o h HIS 5 Cb 1.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.46 1h5o h HIS 5 CO 0.05 1.26 0.23 -0.22 -0.00 0.00 0.00 177.93 179.25 1h5o h LYS 6 N -0.00 0.79 -0.17 5.26 3.64 -1.61 -3.02 116.57 121.46 1h5o h LYS 6 Ca -0.11 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1h5o h LYS 6 Cb 1.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1h5o h LYS 6 CO 0.16 0.68 -0.37 0.87 -2.27 0.00 0.00 179.45 178.51 1h5o h LYS 7 N 0.73 0.36 0.00 1.90 1.57 -1.58 -3.48 116.57 116.06 1h5o h LYS 7 Ca 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1h5o h LYS 7 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1h5o h LYS 7 CO -0.02 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 1h5o n GLY 8 N -0.19 1.91 0.00 3.86 0.00 -1.11 -5.02 105.19 104.64 1h5o n GLY 8 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.34 2.93 -0.02 0.00 -1.04 -3.90 105.19 104.50 1h5o n GLY 9 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 0.19 0.07 1.61 2.46 -1.22 -4.21 115.29 112.18 1h5o s HIS 10 Ca 0.00 -0.22 -0.30 0.00 0.47 0.00 0.00 55.06 55.01 1h5o s HIS 10 Cb 0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 32.58 32.28 1h5o s HIS 10 CO 0.00 -0.07 0.98 0.00 -2.47 0.00 0.00 174.74 173.18 1h5o s PHE 12 N 0.36 0.44 0.38 0.00 0.08 -0.98 -4.98 117.98 113.28 1h5o s PHE 12 Ca 0.49 -0.90 -0.25 0.00 0.12 0.00 0.00 56.93 56.38 1h5o s PHE 12 Cb -0.23 -0.33 -0.12 0.00 -0.57 0.00 0.00 43.02 41.78 1h5o s PHE 12 CO 0.29 -0.33 0.98 -2.30 -0.10 0.00 0.00 175.22 173.76 1h5o n PRO 13 N 0.54 1.30 0.11 0.24 -0.02 -1.26 -1.99 135.00 133.92 1h5o n PRO 13 Ca -0.17 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1h5o n PRO 13 Cb 0.59 -1.94 0.46 0.00 -0.02 0.00 0.00 33.50 32.59 1h5o n PRO 13 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1h5o n LYS 14 N 0.38 0.20 0.07 -0.52 2.85 -0.19 -3.16 118.16 117.80 1h5o n LYS 14 Ca 0.09 0.33 0.10 0.00 -1.05 0.00 0.00 58.31 57.79 1h5o n LYS 14 Cb 0.37 -1.82 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1h5o n LYS 14 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1h5o n GLU 15 N -2.19 0.62 0.00 -1.58 0.28 -1.26 -4.89 120.64 111.62 1h5o n GLU 15 Ca 0.04 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1h5o n GLU 15 Cb 0.30 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1h5o n GLU 15 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1h5o n LYS 16 N -2.58 0.00 -4.93 3.44 4.76 -1.19 -5.02 118.16 112.64 1h5o n LYS 16 Ca -0.02 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 1h5o n LYS 16 Cb 0.58 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.62 1h5o n LYS 16 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1h5o s ILE 17 N 0.84 2.77 -0.07 -0.18 1.01 -1.26 -5.08 121.20 119.23 1h5o s ILE 17 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 1h5o s ILE 17 Cb 0.00 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1h5o s ILE 17 CO 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 174.94 175.45 1h5o s LEU 19 N 1.49 2.66 0.78 0.00 1.98 -1.26 -1.89 118.68 122.44 1h5o s LEU 19 Ca -0.01 -0.82 -0.12 0.00 -2.89 0.00 0.00 54.13 50.30 1h5o s LEU 19 Cb -0.13 -1.55 0.06 0.00 0.66 0.00 0.00 46.19 45.23 1h5o s LEU 19 CO -0.04 -0.06 1.10 -2.16 -1.89 0.00 0.00 176.35 173.30 1h5o s PRO 20 N 1.28 2.23 0.05 0.98 0.04 -1.26 -4.67 135.00 133.65 1h5o s PRO 20 Ca 0.01 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 1h5o s PRO 20 Cb -0.15 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1h5o s PRO 20 CO -0.09 -1.50 1.27 -1.35 0.04 0.00 0.00 177.00 175.37 1h5o h PRO 21 N -1.00 -0.30 -2.70 0.56 0.11 -1.80 -3.17 132.00 123.71 1h5o h PRO 21 Ca -0.47 0.02 -0.80 0.00 0.11 0.00 0.00 66.00 64.87 1h5o h PRO 21 Cb 1.27 0.07 -0.25 0.00 0.11 0.00 0.00 31.00 32.20 1h5o h PRO 21 CO 0.61 -0.20 1.20 0.43 -0.21 0.00 0.00 178.00 179.83 1h5o n SER 22 N -3.93 6.81 -3.28 -2.05 7.64 -1.26 -4.63 113.62 112.92 1h5o n SER 22 Ca -0.03 -3.45 -0.05 0.00 1.01 0.00 0.00 58.87 56.34 1h5o n SER 22 Cb 0.19 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 1h5o n SER 22 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1h5o s SER 23 N -1.11 -0.28 -0.08 6.43 0.01 -1.20 -5.13 113.70 112.34 1h5o s SER 23 Ca 0.37 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.70 1h5o s SER 23 Cb 0.12 1.45 0.07 0.00 0.21 0.00 0.00 66.02 67.88 1h5o s SER 23 CO -0.01 -0.29 0.71 1.51 0.41 0.00 0.00 173.24 175.57 1h5o s ASP 24 N 2.65 -0.64 0.62 2.44 1.47 -1.26 -2.08 116.67 119.87 1h5o s ASP 24 Ca 0.15 0.75 -0.08 0.00 1.18 0.00 0.00 52.55 54.55 1h5o s ASP 24 Cb -0.15 0.59 0.01 0.00 -0.34 0.00 0.00 42.92 43.03 1h5o s ASP 24 CO -0.19 -0.56 0.96 -0.36 0.68 0.00 0.00 175.17 175.70 1h5o s PHE 25 N -1.06 3.28 0.00 2.11 0.08 0.23 -4.86 117.98 117.75 1h5o s PHE 25 Ca -0.09 0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1h5o s PHE 25 Cb -0.00 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1h5o s PHE 25 CO 0.09 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.70 1h5o n GLY 26 N -2.70 0.77 3.54 4.36 0.00 -1.26 -2.80 105.19 107.10 1h5o n GLY 26 Ca 0.05 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 3.18 0.00 1.61 -2.85 -1.26 -2.96 119.74 117.46 1h5o s LYS 27 Ca 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1h5o s LYS 27 Cb 0.00 -4.18 0.00 0.00 -2.06 0.00 0.00 37.83 31.59 1h5o s LYS 27 CO 0.00 -2.13 0.00 -1.33 0.10 0.00 0.00 175.35 171.99 1h5o n MET 28 N 9.26 0.00 -2.93 1.78 2.81 -1.26 -4.92 117.12 121.85 1h5o n MET 28 Ca 0.02 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1h5o n MET 28 Cb 0.49 -0.21 0.03 0.00 -0.71 0.00 0.00 33.22 32.81 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 -0.88 -0.33 0.00 7.83 5.75 -1.26 -5.01 116.55 122.64 1h5o n ASP 29 Ca 0.00 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1h5o n ASP 29 Cb 0.00 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 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 1.22 1.19 0.07 0.00 3.52 -1.26 -5.06 118.95 118.63 1h5o s ARG 31 Ca 0.00 -1.60 -0.36 0.00 -0.13 0.00 0.00 55.73 53.63 1h5o s ARG 31 Cb 0.00 -0.15 -0.19 0.00 -1.56 0.00 0.00 34.95 33.05 1h5o s ARG 31 CO 0.00 -0.22 1.56 2.35 -0.81 0.00 0.00 175.30 178.17 1h5o h TRP 32 N 2.61 -1.32 -0.19 5.12 2.91 -2.02 -2.62 115.95 120.43 1h5o h TRP 32 Ca -0.37 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.64 1h5o h TRP 32 Cb 1.22 0.48 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 1h5o h TRP 32 CO 0.48 -0.72 0.00 0.54 -1.03 0.00 0.00 178.44 177.71 1h5o n ARG 33 N -5.56 1.78 -4.63 2.65 1.74 -1.26 -4.82 116.66 106.56 1h5o n ARG 33 Ca -0.14 -0.84 -0.33 0.00 -0.77 0.00 0.00 57.85 55.77 1h5o n ARG 33 Cb 0.50 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.63 2.90 0.25 -1.55 0.52 -0.99 -1.02 118.94 117.43 1h5o s TRP 34 Ca 0.15 -0.38 0.10 0.00 0.02 0.00 0.00 56.10 55.99 1h5o s TRP 34 Cb 0.10 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1h5o s TRP 34 CO 0.08 -0.04 -0.08 -1.59 0.02 0.00 0.00 176.95 175.34 1h5o s LYS 35 N 0.10 2.08 -0.35 4.98 -2.85 -0.84 -4.35 119.74 118.51 1h5o s LYS 35 Ca -0.03 -1.48 -0.19 0.00 -1.00 0.00 0.00 55.97 53.26 1h5o s LYS 35 Cb -0.14 -2.06 -0.00 0.00 -2.06 0.00 0.00 37.83 33.57 1h5o s LYS 35 CO 0.04 0.37 0.59 0.00 0.10 0.00 0.00 175.35 176.45 1h5o s LYS 38 N -2.86 3.58 -0.22 0.00 2.20 -0.88 -3.43 119.74 118.13 1h5o s LYS 38 Ca 0.60 -0.18 -0.21 0.00 -0.36 0.00 0.00 55.97 55.82 1h5o s LYS 38 Cb -0.14 -2.85 -0.18 0.00 -1.51 0.00 0.00 37.83 33.15 1h5o s LYS 38 CO 0.18 0.45 0.13 0.36 -0.36 0.00 0.00 175.35 176.12 1h5o n LYS 39 N -0.12 0.57 0.00 4.03 0.00 -1.25 -4.08 118.16 117.30 1h5o n LYS 39 Ca -0.03 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1h5o n LYS 39 Cb 0.52 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 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 1.41 -0.91 3.56 2.58 0.00 -1.26 -4.71 105.19 105.86 1h5o n GLY 40 Ca -0.35 0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1h5o n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h5o s SER 41 N 0.00 6.85 0.00 1.61 1.04 -1.26 -5.22 113.70 116.72 1h5o s SER 41 Ca 0.00 -2.46 0.00 0.00 0.48 0.00 0.00 55.95 53.97 1h5o s SER 41 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1h5o s SER 41 CO 0.00 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.71