#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk6 s HIS 1 N 0.00 2.46 0.37 -5.13 0.00 -1.26 -4.99 115.29 106.74 3hk6 s HIS 1 Ca 0.00 -0.67 -0.03 0.00 -3.00 0.00 0.00 55.06 51.37 3hk6 s HIS 1 Cb 0.00 -4.65 0.04 0.00 -4.00 0.00 0.00 32.58 23.97 3hk6 s HIS 1 CO 0.00 -1.94 0.09 0.25 -1.00 0.00 0.00 174.74 172.14 3hk6 n THR 1 N 6.90 0.00 0.00 -5.38 -2.24 -1.26 -5.20 114.28 107.10 3hk6 n THR 1 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3hk6 n THR 1 Cb 0.51 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3hk6 n THR 1 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hk6 n PHE 1 N -2.93 0.00 -2.67 4.78 3.01 -1.26 -5.18 117.46 113.21 3hk6 n PHE 1 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 3hk6 n PHE 1 Cb 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3hk6 n PHE 1 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hk6 s ASN 1 N 0.00 6.37 0.12 4.37 3.84 -1.26 -4.86 114.94 123.51 3hk6 s ASN 1 Ca 0.00 -0.15 0.05 0.00 0.21 0.00 0.00 52.86 52.97 3hk6 s ASN 1 Cb 0.00 -2.51 0.39 0.00 -0.55 0.00 0.00 41.25 38.58 3hk6 s ASN 1 CO 0.00 -1.45 0.54 1.21 -2.79 0.00 0.00 177.10 174.61 3hk6 n GLU 1 N 8.24 -0.02 0.09 0.43 0.00 -1.26 0.09 120.64 128.20 3hk6 n GLU 1 Ca 0.05 0.49 0.02 0.00 0.00 0.00 0.00 57.16 57.72 3hk6 n GLU 1 Cb 0.48 -0.84 0.36 0.00 0.00 0.00 0.00 31.44 31.44 3hk6 n GLU 1 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3hk6 h LYS 1 N 0.00 0.30 0.00 5.31 1.57 -1.89 -2.36 116.57 119.51 3hk6 h LYS 1 Ca 0.26 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3hk6 h LYS 1 Cb 0.65 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3hk6 h LYS 1 CO -0.29 0.43 -1.50 0.25 -0.57 0.00 0.00 179.45 177.77 3hk6 n THR 1 N -4.26 0.50 -0.07 -0.16 -2.24 0.11 -4.62 114.28 103.55 3hk6 n THR 1 Ca -0.00 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 3hk6 n THR 1 Cb 0.28 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.64 3hk6 n THR 1 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3hk6 h PHE 1 N 0.00 0.79 0.00 4.78 3.04 -1.09 -3.50 116.94 120.96 3hk6 h PHE 1 Ca -0.20 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.48 3hk6 h PHE 1 Cb 1.44 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.80 3hk6 h PHE 1 CO 0.00 1.02 0.00 0.41 -2.02 0.00 0.00 178.31 177.72 3hk6 n GLY 1 N 0.34 2.78 3.76 2.40 0.00 -0.89 -5.00 105.19 108.58 3hk6 n GLY 1 Ca -0.05 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 3hk6 n GLY 1 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk6 s LEU 1 N 0.00 4.34 0.00 0.99 1.43 -1.26 -4.41 118.68 119.77 3hk6 s LEU 1 Ca 0.00 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 3hk6 s LEU 1 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3hk6 s LEU 1 CO 0.00 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.28 3hk6 n GLY 1 N 1.86 0.84 0.26 -3.19 0.00 -1.26 -5.04 105.19 98.66 3hk6 n GLY 1 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 3hk6 n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hk6 h GLU 1 N 0.00 0.87 -0.46 1.61 4.81 -1.99 -3.05 114.58 116.36 3hk6 h GLU 1 Ca 0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3hk6 h GLU 1 Cb 0.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3hk6 h GLU 1 CO 0.00 0.71 0.31 0.00 -0.73 0.00 0.00 179.01 179.30 3hk6 h ALA 1 N 1.11 1.69 -0.03 2.92 0.00 -1.96 -1.98 119.26 121.02 3hk6 h ALA 1 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hk6 h ALA 1 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hk6 h ALA 1 CO -0.02 0.28 -0.27 -3.47 0.00 0.00 0.00 179.25 175.76 3hk6 n ASP 1 N -4.47 2.08 -4.65 0.00 2.03 -1.24 -4.95 116.55 105.35 3hk6 n ASP 1 Ca 0.04 -3.57 -0.30 0.00 0.52 0.00 0.00 54.79 51.49 3hk6 n ASP 1 Cb 0.07 -0.50 0.18 0.00 -0.72 0.00 0.00 41.12 40.15 3hk6 n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hk6 n GLY 2 N -0.24 1.85 2.96 0.00 0.00 -1.26 -4.94 105.19 103.55 3hk6 n GLY 2 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3hk6 n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk6 s LEU 3 N -4.83 1.40 -0.27 0.99 1.43 -1.25 -5.07 118.68 111.08 3hk6 s LEU 3 Ca 0.00 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 3hk6 s LEU 3 Cb 0.00 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 3hk6 s LEU 3 CO 0.00 -0.05 0.57 -0.13 0.23 0.00 0.00 176.35 176.96 3hk6 s ARG 4 N 1.24 4.06 0.27 1.70 0.52 -1.26 -4.82 118.95 120.66 3hk6 s ARG 4 Ca -0.04 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.52 3hk6 s ARG 4 Cb -0.14 -3.66 0.53 0.00 0.52 0.00 0.00 34.95 32.20 3hk6 s ARG 4 CO -0.03 -0.40 1.43 -2.30 0.02 0.00 0.00 175.30 174.02 3hk6 n PRO 5 N 5.64 -0.08 0.00 3.54 -0.02 -1.26 -0.38 135.00 142.44 3hk6 n PRO 5 Ca -0.03 1.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.99 3hk6 n PRO 5 Cb 0.49 -2.16 0.26 0.00 -0.02 0.00 0.00 33.50 32.07 3hk6 n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hk6 n LEU 6 N -5.44 0.93 0.00 2.45 4.77 -1.26 -4.30 117.00 114.15 3hk6 n LEU 6 Ca 0.17 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3hk6 n LEU 6 Cb 0.56 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hk6 n LEU 6 CO -0.09 0.19 0.00 0.49 -1.33 0.00 0.00 177.39 176.65 3hk6 n PHE 7 N -0.97 0.00 -0.02 -1.77 3.72 0.49 -4.79 117.46 114.12 3hk6 n PHE 7 Ca 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.52 3hk6 n PHE 7 Cb 0.35 0.03 0.40 0.00 -0.94 0.00 0.00 39.48 39.32 3hk6 n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hk6 h GLU 8 N 0.00 0.59 0.00 -1.08 3.07 -1.33 -2.76 114.58 113.06 3hk6 h GLU 8 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3hk6 h GLU 8 Cb 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3hk6 h GLU 8 CO 0.00 0.40 0.00 1.17 -1.40 0.00 0.00 179.01 179.18 3hk6 n LYS 9 N -4.45 0.37 -0.07 2.33 3.00 0.29 -2.21 118.16 117.41 3hk6 n LYS 9 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3hk6 n LYS 9 Cb 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 33.78 3hk6 n LYS 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hk6 n LYS 10 N -0.82 0.00 0.00 1.64 5.02 -1.05 -5.01 118.16 117.94 3hk6 n LYS 10 Ca 0.06 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 3hk6 n LYS 10 Cb 0.03 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3hk6 n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hk6 n SER 11 N 0.00 0.00 -3.02 4.39 7.64 -0.94 -4.95 113.62 116.74 3hk6 n SER 11 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 3hk6 n SER 11 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 3hk6 n SER 11 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hk6 n LEU 12 N 0.00 -0.25 -4.87 -3.43 4.32 -1.21 -4.86 117.00 106.71 3hk6 n LEU 12 Ca 0.00 0.78 -0.21 0.00 -0.02 0.00 0.00 56.01 56.55 3hk6 n LEU 12 Cb 0.00 -0.63 -0.03 0.00 -1.62 0.00 0.00 43.42 41.14 3hk6 n LEU 12 CO 0.00 -1.50 -0.00 -0.54 -1.22 0.00 0.00 177.39 174.13 3hk6 s LYS 13 N -0.19 2.49 0.00 3.23 1.02 -1.26 -4.13 119.74 120.89 3hk6 s LYS 13 Ca 0.56 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.96 3hk6 s LYS 13 Cb -0.79 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3hk6 s LYS 13 CO 0.38 -0.22 0.00 -0.40 -0.92 0.00 0.00 175.35 174.19 3hk6 n ASP 14 N -1.55 0.00 0.00 2.83 5.68 -1.26 -5.04 116.55 117.21 3hk6 n ASP 14 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 3hk6 n ASP 14 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3hk6 n ASP 14 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3hk6 n THR 14 N 0.00 0.00 -0.07 2.12 5.66 -1.26 -4.59 114.28 116.14 3hk6 n THR 14 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 3hk6 n THR 14 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3hk6 n THR 14 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 3hk6 h GLU 14 N 0.00 0.37 -1.40 1.09 4.11 -2.04 -2.04 114.58 114.67 3hk6 h GLU 14 Ca 0.00 -0.14 0.41 0.00 0.07 0.00 0.00 59.36 59.70 3hk6 h GLU 14 Cb 0.00 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3hk6 h GLU 14 CO 0.00 0.62 1.26 -0.22 0.07 0.00 0.00 179.01 180.74 3hk6 h LYS 14 N 0.08 0.00 -0.03 1.06 3.64 -2.02 -2.27 116.57 117.03 3hk6 h LYS 14 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hk6 h LYS 14 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hk6 h LYS 14 CO 0.02 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 175.29 3hk6 n GLU 14 N -3.58 0.12 0.00 1.90 2.13 -0.77 -1.98 120.64 118.46 3hk6 n GLU 14 Ca 0.31 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.13 3hk6 n GLU 14 Cb 1.68 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 32.38 3hk6 n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hk6 n LEU 14 N -0.26 0.00 0.00 4.31 7.94 -0.85 -3.19 117.00 124.95 3hk6 n LEU 14 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hk6 n LEU 14 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3hk6 n LEU 14 CO 0.00 0.00 0.14 0.47 -1.11 0.00 0.00 177.39 176.89 3hk6 n ASP 14 N 0.00 0.00 -0.34 1.96 9.92 -0.84 -1.91 116.55 125.34 3hk6 n ASP 14 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 3hk6 n ASP 14 Cb 0.00 0.00 0.43 0.00 -0.64 0.00 0.00 41.12 40.91 3hk6 n ASP 14 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hk6 n SER 14 N -0.76 1.21 -3.85 -2.24 3.41 -1.19 -4.68 113.62 105.52 3hk6 n SER 14 Ca 0.00 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.07 3hk6 n SER 14 Cb 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3hk6 n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hk6 n TYR 14 N -0.33 2.47 0.06 7.33 0.53 -0.80 -4.72 117.16 121.69 3hk6 n TYR 14 Ca 0.15 -2.61 0.04 0.00 -1.02 0.00 0.00 57.90 54.46 3hk6 n TYR 14 Cb 0.35 -1.37 -0.05 0.00 -1.03 0.00 0.00 39.34 37.24 3hk6 n TYR 14 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 3hk6 n ILE 14 N 1.24 0.95 0.00 -0.72 -5.35 -1.26 -4.93 119.36 109.29 3hk6 n ILE 14 Ca 0.36 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3hk6 n ILE 14 Cb 0.31 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 3hk6 n ILE 14 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hk6 n ASP 14 N -2.79 0.00 0.00 7.28 10.43 -1.26 -5.28 116.55 124.92 3hk6 n ASP 14 Ca -0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.30 3hk6 n ASP 14 Cb 0.73 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.69 3hk6 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74