#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkj n ASP 1 N 0.00 2.66 -4.60 0.00 2.03 -1.26 -5.03 116.55 110.35 3hkj n ASP 1 Ca 0.00 -1.90 -0.36 0.00 0.52 0.00 0.00 54.79 53.05 3hkj n ASP 1 Cb 0.00 -0.17 0.09 0.00 -0.72 0.00 0.00 41.12 40.32 3hkj n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkj n GLY 2 N 1.11 1.63 3.32 0.00 0.00 -1.26 -4.96 105.19 105.04 3hkj n GLY 2 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hkj n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkj s LEU 3 N 0.00 5.12 -0.05 0.99 1.43 -1.19 -5.02 118.68 119.96 3hkj s LEU 3 Ca 0.00 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 51.48 3hkj s LEU 3 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3hkj s LEU 3 CO 0.00 -0.52 1.36 -0.13 0.23 0.00 0.00 176.35 177.29 3hkj s ARG 4 N 1.50 4.27 0.30 1.70 0.52 -1.26 -4.80 118.95 121.19 3hkj s ARG 4 Ca 0.03 1.86 0.06 0.00 -0.52 0.00 0.00 55.73 57.17 3hkj s ARG 4 Cb -0.22 -3.66 0.77 0.00 0.52 0.00 0.00 34.95 32.35 3hkj s ARG 4 CO 0.04 -0.61 1.76 -1.35 0.02 0.00 0.00 175.30 175.16 3hkj h PRO 5 N 8.04 0.67 -0.63 3.54 0.11 -1.97 -1.19 132.00 140.57 3hkj h PRO 5 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hkj h PRO 5 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hkj h PRO 5 CO 0.92 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 180.43 3hkj n LEU 6 N -4.82 3.79 0.00 2.35 4.77 -1.26 -4.12 117.00 117.71 3hkj n LEU 6 Ca 0.24 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 3hkj n LEU 6 Cb 0.61 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hkj n LEU 6 CO 0.19 0.74 0.00 0.49 -1.33 0.00 0.00 177.39 177.49 3hkj n PHE 7 N 1.05 0.00 -0.23 -1.77 3.72 -0.51 -4.77 117.46 114.95 3hkj n PHE 7 Ca 0.21 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.56 3hkj n PHE 7 Cb 0.68 0.05 0.04 0.00 -0.94 0.00 0.00 39.48 39.31 3hkj n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hkj h GLU 8 N 0.00 0.86 0.00 -1.08 3.07 -1.47 0.64 114.58 116.59 3hkj h GLU 8 Ca 0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3hkj h GLU 8 Cb 0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.72 3hkj h GLU 8 CO 0.00 0.58 -0.04 0.87 -1.40 0.00 0.00 179.01 179.01 3hkj h LYS 9 N 0.88 0.00 -0.16 2.33 1.79 -1.61 -2.03 116.57 117.77 3hkj h LYS 9 Ca 0.24 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 3hkj h LYS 9 Cb -0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3hkj h LYS 9 CO -0.05 0.04 -0.05 1.63 -1.08 0.00 0.00 179.45 179.95 3hkj n LYS 10 N -3.33 2.08 -2.32 3.15 5.02 -0.81 -4.97 118.16 116.99 3hkj n LYS 10 Ca -0.02 -2.84 -0.10 0.00 -2.02 0.00 0.00 58.31 53.33 3hkj n LYS 10 Cb 0.19 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.48 3hkj n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hkj n SER 11 N -0.98 -3.27 -4.70 4.39 7.64 -0.39 -4.92 113.62 111.39 3hkj n SER 11 Ca 0.21 0.25 -0.32 0.00 1.01 0.00 0.00 58.87 60.02 3hkj n SER 11 Cb 0.81 -2.85 -0.08 0.00 -1.01 0.00 0.00 64.21 61.08 3hkj n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hkj s LEU 12 N -5.25 3.58 0.05 -3.43 1.43 0.21 -4.99 118.68 110.28 3hkj s LEU 12 Ca 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3hkj s LEU 12 Cb 0.00 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3hkj s LEU 12 CO 0.00 0.26 -0.00 -1.61 0.23 0.00 0.00 176.35 175.23 3hkj s GLU 13 N -1.69 2.64 0.65 1.70 2.02 -1.26 -3.75 118.70 119.01 3hkj s GLU 13 Ca 0.21 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 3hkj s GLU 13 Cb -0.12 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.58 3hkj s GLU 13 CO 0.12 0.58 0.94 0.16 0.02 0.00 0.00 175.26 177.07 3hkj s ASP 14 N -1.95 5.00 0.65 -0.19 1.47 -1.26 -4.99 116.67 115.40 3hkj s ASP 14 Ca 0.23 0.33 0.42 0.00 1.18 0.00 0.00 52.55 54.71 3hkj s ASP 14 Cb -0.12 -1.07 2.28 0.00 -0.34 0.00 0.00 42.92 43.67 3hkj s ASP 14 CO 0.14 -1.43 2.33 0.11 0.68 0.00 0.00 175.17 177.01 3hkj h LYS 14 N -0.38 0.00 0.00 2.11 1.57 -2.05 -3.33 116.57 114.49 3hkj h LYS 14 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3hkj h LYS 14 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hkj h LYS 14 CO 0.58 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.71 3hkj n THR 14 N -3.22 0.00 -0.18 -0.16 -2.24 -1.26 -4.76 114.28 102.46 3hkj n THR 14 Ca -0.03 -0.38 0.19 0.00 -2.27 0.00 0.00 64.05 61.56 3hkj n THR 14 Cb 0.09 1.04 0.55 0.00 -2.10 0.00 0.00 70.33 69.91 3hkj n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hkj h GLU 14 N 0.00 0.31 -0.59 -0.78 4.11 -1.98 0.24 114.58 115.89 3hkj h GLU 14 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.51 3hkj h GLU 14 Cb 0.02 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3hkj h GLU 14 CO 0.00 0.21 0.40 -0.09 0.07 0.00 0.00 179.01 179.60 3hkj h ARG 14 N 0.32 0.40 -0.86 1.06 9.65 -1.85 -2.37 114.38 120.72 3hkj h ARG 14 Ca 0.41 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 3hkj h ARG 14 Cb 1.10 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 3hkj h ARG 14 CO -0.12 0.26 0.00 -1.91 2.80 0.00 0.00 179.97 181.01 3hkj n GLU 14 N -4.47 0.06 0.00 0.20 2.13 0.85 -1.21 120.64 118.20 3hkj n GLU 14 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3hkj n GLU 14 Cb 0.36 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3hkj n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hkj n LEU 14 N 0.68 0.00 0.09 4.31 7.94 -0.89 -2.58 117.00 126.54 3hkj n LEU 14 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3hkj n LEU 14 Cb 0.02 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.43 3hkj n LEU 14 CO 0.00 0.00 1.07 -0.33 -1.11 0.00 0.00 177.39 177.02 3hkj h GLU 14 N 0.00 0.35 0.00 1.96 5.08 -1.44 -1.66 114.58 118.87 3hkj h GLU 14 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hkj h GLU 14 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hkj h GLU 14 CO 0.00 0.29 -0.08 0.66 -1.00 0.00 0.00 179.01 178.88 3hkj h SER 14 N 0.35 0.00 1.00 1.42 4.64 -1.76 1.43 113.55 120.63 3hkj h SER 14 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3hkj h SER 14 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hkj h SER 14 CO -0.01 0.08 -0.60 1.88 -0.87 0.00 0.00 176.83 177.31 3hkj h TYR 14 N 0.00 0.00 0.00 4.77 0.05 -1.63 -3.40 116.97 116.76 3hkj h TYR 14 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3hkj h TYR 14 Cb 0.73 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 3hkj h TYR 14 CO 0.00 0.00 -0.46 -0.89 -1.05 0.00 0.00 178.16 175.76 3hkj n ILE 14 N -2.27 1.08 0.00 -2.88 2.08 -1.04 -5.13 119.36 111.20 3hkj n ILE 14 Ca 0.03 0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.60 3hkj n ILE 14 Cb 0.46 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 3hkj n ILE 14 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58