#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3b n ASP 1 N 0.00 1.04 -4.74 0.00 2.03 -1.26 -5.07 116.55 108.56 1a3b n ASP 1 Ca 0.00 -1.24 -0.40 0.00 0.52 0.00 0.00 54.79 53.67 1a3b n ASP 1 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1a3b n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a3b n GLY 2 N 0.68 0.56 3.22 0.00 0.00 -1.26 -4.99 105.19 103.40 1a3b n GLY 2 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1a3b n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a3b s LEU 3 N 0.00 4.63 0.15 0.99 1.43 -1.16 -5.00 118.68 119.72 1a3b s LEU 3 Ca 0.00 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 1a3b s LEU 3 Cb 0.00 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 1a3b s LEU 3 CO 0.00 -0.41 1.24 -0.13 0.23 0.00 0.00 176.35 177.28 1a3b s ARG 4 N 1.32 4.44 0.36 1.70 0.52 -1.26 -4.76 118.95 121.27 1a3b s ARG 4 Ca 0.01 1.91 0.04 0.00 -0.52 0.00 0.00 55.73 57.17 1a3b s ARG 4 Cb -0.21 -3.26 0.68 0.00 0.52 0.00 0.00 34.95 32.68 1a3b s ARG 4 CO 0.00 -0.20 1.96 -1.35 0.02 0.00 0.00 175.30 175.74 1a3b h PRO 5 N 5.79 0.62 -0.29 3.54 0.11 -1.97 -1.42 132.00 138.37 1a3b h PRO 5 Ca -0.44 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1a3b h PRO 5 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1a3b h PRO 5 CO 0.78 0.50 0.00 1.28 -0.21 0.00 0.00 178.00 180.35 1a3b n LEU 6 N -4.38 2.62 0.00 2.35 4.77 -1.26 -3.92 117.00 117.18 1a3b n LEU 6 Ca 0.03 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1a3b n LEU 6 Cb 0.14 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1a3b n LEU 6 CO 0.37 0.56 0.00 0.49 -1.33 0.00 0.00 177.39 177.48 1a3b n PHE 7 N 0.95 0.00 -0.28 -1.77 3.72 -0.71 -4.76 117.46 114.61 1a3b n PHE 7 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1a3b n PHE 7 Cb 0.48 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.15 1a3b n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a3b h GLU 8 N 0.00 0.81 0.00 -1.08 3.07 -1.55 0.27 114.58 116.11 1a3b h GLU 8 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1a3b h GLU 8 Cb 0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1a3b h GLU 8 CO 0.00 0.54 -0.05 -0.22 -1.40 0.00 0.00 179.01 177.87 1a3b h LYS 9 N 0.83 0.00 -0.02 2.33 3.64 -1.49 -2.10 116.57 119.77 1a3b h LYS 9 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1a3b h LYS 9 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1a3b h LYS 9 CO -0.19 0.05 -0.10 1.63 -2.27 0.00 0.00 179.45 178.57 1a3b n LYS 10 N -4.38 1.46 -3.42 1.90 5.02 -0.73 -4.98 118.16 113.03 1a3b n LYS 10 Ca -0.03 -1.29 -0.20 0.00 -2.02 0.00 0.00 58.31 54.77 1a3b n LYS 10 Cb 0.14 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 33.91 1a3b n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a3b n SER 11 N 0.62 -5.17 -4.55 4.39 2.88 0.65 -5.02 113.62 107.41 1a3b n SER 11 Ca 0.09 -0.48 -0.33 0.00 -1.33 0.00 0.00 58.87 56.81 1a3b n SER 11 Cb 0.40 -4.46 -0.12 0.00 -0.75 0.00 0.00 64.21 59.28 1a3b n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a3b s LEU 12 N -6.37 3.03 -0.02 2.46 1.43 0.53 -5.00 118.68 114.74 1a3b s LEU 12 Ca 0.42 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1a3b s LEU 12 Cb -0.19 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1a3b s LEU 12 CO 0.63 0.35 0.07 -1.61 0.23 0.00 0.00 176.35 176.03 1a3b s GLU 13 N -0.84 3.05 0.83 1.70 2.02 -1.26 -3.78 118.70 120.42 1a3b s GLU 13 Ca 0.12 -0.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 1a3b s GLU 13 Cb -0.11 -2.85 0.09 0.00 0.10 0.00 0.00 34.13 31.36 1a3b s GLU 13 CO 0.02 0.66 1.18 0.16 0.02 0.00 0.00 175.26 177.30 1a3b s ASP 14 N -1.59 4.33 0.31 -0.19 1.47 -1.26 -4.96 116.67 114.79 1a3b s ASP 14 Ca 0.21 0.78 0.26 0.00 1.18 0.00 0.00 52.55 54.97 1a3b s ASP 14 Cb -0.12 -1.25 1.04 0.00 -0.34 0.00 0.00 42.92 42.25 1a3b s ASP 14 CO 0.12 -2.02 1.77 0.11 0.68 0.00 0.00 175.17 175.83 1a3b h LYS 14 N -1.13 0.00 0.00 2.11 1.57 -2.05 -3.31 116.57 113.76 1a3b h LYS 14 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1a3b h LYS 14 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1a3b h LYS 14 CO 0.64 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.77 1a3b n THR 14 N -2.42 0.23 0.28 -0.16 -2.24 -1.26 -4.76 114.28 103.96 1a3b n THR 14 Ca 0.02 -0.29 0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1a3b n THR 14 Cb 0.26 1.11 0.80 0.00 -2.10 0.00 0.00 70.33 70.40 1a3b n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1a3b h GLU 14 N 0.00 0.00 -0.22 -0.78 4.11 -1.97 -1.80 114.58 113.91 1a3b h GLU 14 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1a3b h GLU 14 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1a3b h GLU 14 CO 0.00 0.05 -0.11 -0.09 0.07 0.00 0.00 179.01 178.92 1a3b h ARG 14 N 0.00 0.36 -0.46 1.06 9.65 -1.86 -2.66 114.38 120.47 1a3b h ARG 14 Ca -0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1a3b h ARG 14 Cb 0.38 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1a3b h ARG 14 CO 0.01 0.48 0.00 -1.91 2.80 0.00 0.00 179.97 181.35 1a3b n GLU 14 N -4.25 0.03 0.00 0.20 2.13 -0.68 -0.80 120.64 117.27 1a3b n GLU 14 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a3b n GLU 14 Cb 0.28 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1a3b n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a3b n LEU 14 N 0.60 0.00 0.20 4.31 7.94 -1.01 -2.95 117.00 126.09 1a3b n LEU 14 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 1a3b n LEU 14 Cb 0.01 0.00 0.62 0.00 0.53 0.00 0.00 43.42 44.58 1a3b n LEU 14 CO 0.00 0.00 0.92 -0.33 -1.11 0.00 0.00 177.39 176.87 1a3b h GLU 14 N 0.00 0.00 0.00 1.96 5.08 -1.26 -2.41 114.58 117.95 1a3b h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a3b h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a3b h GLU 14 CO 0.00 0.00 -1.12 -1.13 -1.00 0.00 0.00 179.01 175.76 1a3b n SER 14 N -2.60 0.66 -4.52 1.42 3.41 -1.15 -4.59 113.62 106.25 1a3b n SER 14 Ca 0.01 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1a3b n SER 14 Cb 0.23 0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 64.90 1a3b n SER 14 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1a3b s TYR 14 N -3.34 3.06 -2.90 7.33 2.02 -0.91 -5.25 117.35 117.37 1a3b s TYR 14 Ca -0.00 -1.69 0.25 0.00 -0.37 0.00 0.00 57.07 55.26 1a3b s TYR 14 Cb 0.12 -4.52 0.36 0.00 -0.40 0.00 0.00 41.96 37.51 1a3b s TYR 14 CO 0.80 -1.63 1.36 0.44 -1.57 0.00 0.00 175.55 174.95