#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhr n PHE 1 N 0.00 0.00 0.00 -1.42 -0.00 -0.61 -1.81 117.46 113.61 1qhr n PHE 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1qhr n PHE 1 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.06 1qhr n PHE 1 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qhr n GLY 1 N -0.79 1.06 2.72 7.13 0.00 -1.14 -4.70 105.19 109.46 1qhr n GLY 1 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1qhr n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qhr n SER 1 N 0.00 7.34 0.00 1.61 7.64 -1.26 -4.75 113.62 124.20 1qhr n SER 1 Ca 0.00 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1qhr n SER 1 Cb 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1qhr n SER 1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhr n GLY 1 N 0.10 1.67 3.79 0.23 0.00 -0.75 -4.95 105.19 105.27 1qhr n GLY 1 Ca 0.52 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1qhr n GLY 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qhr s GLU 1 N 0.00 4.50 0.00 1.61 4.04 -1.26 -1.57 118.70 126.01 1qhr s GLU 1 Ca 0.00 1.19 0.00 0.00 0.04 0.00 0.00 54.97 56.20 1qhr s GLU 1 Cb 0.00 -2.85 0.00 0.00 0.02 0.00 0.00 34.13 31.30 1qhr s GLU 1 CO 0.00 0.33 0.00 0.00 -1.84 0.00 0.00 175.26 173.75 1qhr n ALA 1 N 0.67 0.00 1.53 -0.84 0.00 -1.26 -2.89 120.51 117.72 1qhr n ALA 1 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1qhr n ALA 1 Cb 0.50 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.51 1qhr n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qhr n ASP 1 N 2.96 1.24 -4.58 0.00 2.03 -1.26 -5.02 116.55 111.92 1qhr n ASP 1 Ca 0.00 -1.34 -0.38 0.00 0.52 0.00 0.00 54.79 53.58 1qhr n ASP 1 Cb 0.00 0.01 0.05 0.00 -0.72 0.00 0.00 41.12 40.46 1qhr n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qhr n GLY 2 N 1.39 0.24 3.35 0.00 0.00 -1.26 -4.95 105.19 103.96 1qhr n GLY 2 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1qhr n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhr s LEU 3 N 0.00 4.07 0.02 0.99 1.43 -1.20 -5.02 118.68 118.98 1qhr s LEU 3 Ca 0.00 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 1qhr s LEU 3 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1qhr s LEU 3 CO 0.00 -0.24 0.85 -0.13 0.23 0.00 0.00 176.35 177.06 1qhr s ARG 4 N 1.51 4.54 0.28 1.70 0.52 -1.26 -4.78 118.95 121.46 1qhr s ARG 4 Ca 0.02 1.19 0.02 0.00 -0.52 0.00 0.00 55.73 56.44 1qhr s ARG 4 Cb -0.18 -3.41 0.68 0.00 0.52 0.00 0.00 34.95 32.56 1qhr s ARG 4 CO 0.04 0.13 1.67 -1.35 0.02 0.00 0.00 175.30 175.81 1qhr h PRO 5 N 6.20 0.28 -0.01 3.54 0.11 -1.98 -1.56 132.00 138.59 1qhr h PRO 5 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qhr h PRO 5 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qhr h PRO 5 CO 0.73 0.19 -0.14 1.28 -0.21 0.00 0.00 178.00 179.85 1qhr n LEU 6 N -5.15 0.98 0.00 2.35 4.77 -1.26 -4.23 117.00 114.46 1qhr n LEU 6 Ca 0.20 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1qhr n LEU 6 Cb 0.64 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1qhr n LEU 6 CO 0.10 0.18 0.00 0.49 -1.33 0.00 0.00 177.39 176.82 1qhr n PHE 7 N -0.51 0.00 -0.27 -1.77 3.72 -0.63 -4.70 117.46 113.30 1qhr n PHE 7 Ca 0.15 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.62 1qhr n PHE 7 Cb 0.32 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.08 1qhr n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qhr h GLU 8 N 0.00 0.40 0.00 -1.08 3.07 -1.62 0.39 114.58 115.74 1qhr h GLU 8 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1qhr h GLU 8 Cb 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1qhr h GLU 8 CO 0.00 0.26 0.00 0.87 -1.40 0.00 0.00 179.01 178.74 1qhr h LYS 9 N 0.41 0.00 -0.07 2.33 1.79 -1.64 -2.52 116.57 116.86 1qhr h LYS 9 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1qhr h LYS 9 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1qhr h LYS 9 CO -0.45 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.55 1qhr n LYS 10 N -2.60 2.76 -3.17 3.15 5.02 0.00 -4.95 118.16 118.37 1qhr n LYS 10 Ca -0.02 -1.78 -0.22 0.00 -2.02 0.00 0.00 58.31 54.26 1qhr n LYS 10 Cb 0.06 -1.14 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1qhr n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qhr n SER 11 N -0.43 -4.78 -4.83 4.39 2.88 -0.78 -4.99 113.62 105.08 1qhr n SER 11 Ca 0.05 -0.32 -0.35 0.00 -1.33 0.00 0.00 58.87 56.92 1qhr n SER 11 Cb 0.35 -3.91 -0.07 0.00 -0.75 0.00 0.00 64.21 59.84 1qhr n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1qhr s LEU 12 N -6.53 4.12 -0.08 2.46 1.43 -0.46 -4.99 118.68 114.62 1qhr s LEU 12 Ca 0.34 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1qhr s LEU 12 Cb -0.17 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1qhr s LEU 12 CO 0.42 0.34 0.16 -1.61 0.23 0.00 0.00 176.35 175.89 1qhr s GLU 13 N -1.38 3.46 0.87 1.70 2.02 -1.26 -3.90 118.70 120.21 1qhr s GLU 13 Ca 0.19 -0.17 -0.12 0.00 0.02 0.00 0.00 54.97 54.90 1qhr s GLU 13 Cb -0.12 -3.16 0.11 0.00 0.10 0.00 0.00 34.13 31.06 1qhr s GLU 13 CO 0.09 0.74 1.11 0.16 0.02 0.00 0.00 175.26 177.38 1qhr s ASP 14 N -1.32 3.79 0.48 -0.19 1.47 -1.26 -4.96 116.67 114.68 1qhr s ASP 14 Ca 0.19 1.23 0.19 0.00 1.18 0.00 0.00 52.55 55.34 1qhr s ASP 14 Cb -0.12 -1.90 1.20 0.00 -0.34 0.00 0.00 42.92 41.76 1qhr s ASP 14 CO 0.09 -2.40 1.99 0.50 0.68 0.00 0.00 175.17 176.02 1qhr h LYS 14 N -1.39 0.21 0.00 2.11 1.63 -2.06 -3.18 116.57 113.89 1qhr h LYS 14 Ca -0.49 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1qhr h LYS 14 Cb 1.30 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1qhr h LYS 14 CO 0.59 0.14 0.00 0.25 -3.45 0.00 0.00 179.45 176.98 1qhr n THR 14 N -4.44 0.38 0.24 1.00 -2.24 -1.26 -4.79 114.28 103.17 1qhr n THR 14 Ca 0.09 -0.59 0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1qhr n THR 14 Cb 0.47 0.91 0.59 0.00 -2.10 0.00 0.00 70.33 70.20 1qhr n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qhr h GLU 14 N 0.00 0.00 -0.99 -0.78 4.11 -1.94 -2.09 114.58 112.88 1qhr h GLU 14 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.63 1qhr h GLU 14 Cb 0.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 1qhr h GLU 14 CO 0.00 0.20 0.61 -0.09 0.07 0.00 0.00 179.01 179.80 1qhr h ARG 14 N 0.00 0.67 -0.00 1.06 9.65 -1.87 -2.77 114.38 121.13 1qhr h ARG 14 Ca -0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1qhr h ARG 14 Cb 0.48 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1qhr h ARG 14 CO 0.03 0.45 0.00 -1.91 2.80 0.00 0.00 179.97 181.33 1qhr n GLU 14 N -4.72 0.00 0.00 0.20 2.13 -0.79 -0.38 120.64 117.09 1qhr n GLU 14 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1qhr n GLU 14 Cb 0.61 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.47 1qhr n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1qhr n LEU 14 N 0.34 0.00 0.20 4.31 7.99 -1.05 -2.22 117.00 126.58 1qhr n LEU 14 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 56.01 56.15 1qhr n LEU 14 Cb 0.00 0.00 0.63 0.00 -0.11 0.00 0.00 43.42 43.94 1qhr n LEU 14 CO 0.00 0.00 0.93 -0.33 -1.51 0.00 0.00 177.39 176.48 1qhr h GLU 14 N 0.00 0.00 -0.00 3.23 5.08 -0.96 -2.34 114.58 119.59 1qhr h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qhr h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qhr h GLU 14 CO 0.00 0.00 -0.24 -1.13 -1.00 0.00 0.00 179.01 176.64 1qhr n SER 14 N -2.59 0.60 -3.48 1.42 3.41 -0.94 -3.24 113.62 108.79 1qhr n SER 14 Ca 0.01 -0.47 -0.40 0.00 -0.26 0.00 0.00 58.87 57.75 1qhr n SER 14 Cb 0.22 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1qhr n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qhr n TYR 14 N -1.06 2.61 -3.85 7.33 4.01 -0.88 -4.47 117.16 120.85 1qhr n TYR 14 Ca 0.11 -2.88 -0.30 0.00 -0.16 0.00 0.00 57.90 54.66 1qhr n TYR 14 Cb 0.32 -2.00 -0.02 0.00 -0.31 0.00 0.00 39.34 37.32 1qhr n TYR 14 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1qhr n ILE 14 N 2.34 -0.78 0.00 -0.72 -6.64 -1.26 -3.96 119.36 108.34 1qhr n ILE 14 Ca 0.64 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.62 1qhr n ILE 14 Cb 0.26 -1.42 0.00 0.00 -1.44 0.00 0.00 39.64 37.03 1qhr n ILE 14 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1qhr n ASP 14 N -2.41 0.00 0.00 7.28 8.00 -1.20 -4.57 116.55 123.66 1qhr n ASP 14 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1qhr n ASP 14 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1qhr n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhr n GLY 14 N 0.00 3.58 0.00 0.44 0.00 -1.25 -4.58 105.19 103.37 1qhr n GLY 14 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1qhr n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36