#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ths n GLY 1 N 0.00 0.00 0.00 0.23 0.00 -1.26 -4.11 105.19 100.05 1ths n GLY 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ths n GLY 1 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ths n GLU 1 N -0.58 0.00 0.00 1.61 -0.00 -1.26 -5.08 120.64 115.33 1ths n GLU 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ths n GLU 1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1ths n GLU 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ths n ALA 1 N -2.80 0.17 -0.11 -1.84 0.00 -1.26 -4.82 120.51 109.85 1ths n ALA 1 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1ths n ALA 1 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1ths n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ths n ASP 1 N -1.91 2.97 -4.43 0.00 2.03 -1.26 -4.96 116.55 108.98 1ths n ASP 1 Ca 0.00 -1.94 -0.49 0.00 0.52 0.00 0.00 54.79 52.88 1ths n ASP 1 Cb 0.00 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 1ths n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ths n GLY 2 N 1.90 0.81 3.23 0.00 0.00 -1.26 -4.84 105.19 105.02 1ths n GLY 2 Ca 0.18 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1ths n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ths s LEU 3 N -1.75 4.42 0.09 0.99 1.43 -1.17 -5.03 118.68 117.66 1ths s LEU 3 Ca 0.00 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 51.47 1ths s LEU 3 Cb 0.00 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 1ths s LEU 3 CO 0.00 -0.36 1.12 -0.13 0.23 0.00 0.00 176.35 177.21 1ths s ARG 4 N 1.34 4.52 0.55 1.70 0.52 -1.26 -4.74 118.95 121.57 1ths s ARG 4 Ca -0.01 1.67 0.29 0.00 -0.52 0.00 0.00 55.73 57.17 1ths s ARG 4 Cb -0.20 -3.35 1.59 0.00 0.52 0.00 0.00 34.95 33.50 1ths s ARG 4 CO 0.01 -0.09 2.12 -1.00 0.02 0.00 0.00 175.30 176.36 1ths h PRO 5 N 6.22 0.00 -0.15 3.54 0.14 -1.97 0.15 132.00 139.92 1ths h PRO 5 Ca -0.42 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.72 1ths h PRO 5 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 1ths h PRO 5 CO 0.77 0.08 0.00 1.28 0.14 0.00 0.00 178.00 180.27 1ths n LEU 6 N -3.61 3.01 0.00 1.56 4.77 -1.26 -4.18 117.00 117.29 1ths n LEU 6 Ca -0.02 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1ths n LEU 6 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ths n LEU 6 CO 0.29 0.57 0.00 0.49 -1.33 0.00 0.00 177.39 177.40 1ths n PHE 7 N 1.28 0.00 -0.24 -1.77 3.72 -0.38 -4.73 117.46 115.34 1ths n PHE 7 Ca 0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.58 1ths n PHE 7 Cb 0.56 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.22 1ths n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ths h GLU 8 N 0.00 0.09 -0.66 -1.08 3.07 -1.56 0.24 114.58 114.69 1ths h GLU 8 Ca 0.00 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1ths h GLU 8 Cb 0.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 1ths h GLU 8 CO 0.00 0.06 0.44 0.87 -1.40 0.00 0.00 179.01 178.98 1ths h LYS 9 N 0.09 0.43 -0.15 2.33 6.56 -0.97 -2.38 116.57 122.48 1ths h LYS 9 Ca 0.37 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1ths h LYS 9 Cb 0.62 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1ths h LYS 9 CO -0.62 0.28 0.00 1.63 -2.06 0.00 0.00 179.45 178.68 1ths n LYS 10 N -4.47 1.57 -2.20 3.15 5.02 0.41 -4.97 118.16 116.68 1ths n LYS 10 Ca 0.11 -1.63 -0.13 0.00 -2.02 0.00 0.00 58.31 54.64 1ths n LYS 10 Cb 0.41 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1ths n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ths n SER 11 N 0.85 -4.04 -4.69 4.39 2.88 0.57 -5.02 113.62 108.56 1ths n SER 11 Ca 0.11 0.01 -0.35 0.00 -1.33 0.00 0.00 58.87 57.30 1ths n SER 11 Cb 0.41 -3.20 -0.09 0.00 -0.75 0.00 0.00 64.21 60.57 1ths n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ths s LEU 12 N -3.63 3.76 0.25 2.46 1.43 -0.56 -4.99 118.68 117.40 1ths s LEU 12 Ca 0.00 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1ths s LEU 12 Cb 0.00 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1ths s LEU 12 CO 0.00 0.32 0.53 -1.61 0.23 0.00 0.00 176.35 175.82 1ths s GLU 13 N -0.50 3.69 0.55 1.70 2.02 -1.26 -4.04 118.70 120.86 1ths s GLU 13 Ca 0.10 0.10 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 1ths s GLU 13 Cb -0.12 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 1ths s GLU 13 CO 0.02 0.28 0.84 0.16 0.02 0.00 0.00 175.26 176.58 1ths s ASP 14 N -2.76 5.74 0.64 -0.19 1.47 -1.26 -4.98 116.67 115.32 1ths s ASP 14 Ca 0.45 0.66 0.41 0.00 1.18 0.00 0.00 52.55 55.25 1ths s ASP 14 Cb -0.11 -1.75 2.16 0.00 -0.34 0.00 0.00 42.92 42.88 1ths s ASP 14 CO 0.26 -0.92 2.29 0.11 0.68 0.00 0.00 175.17 177.58 1ths h LYS 14 N -0.00 0.00 0.00 2.11 1.57 -2.05 -3.11 116.57 115.08 1ths h LYS 14 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1ths h LYS 14 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ths h LYS 14 CO 0.60 0.01 -0.09 0.25 -0.57 0.00 0.00 179.45 179.64 1ths n THR 14 N -3.16 0.72 0.21 -0.16 -2.24 -1.26 -4.81 114.28 103.57 1ths n THR 14 Ca -0.02 -0.80 0.05 0.00 -2.27 0.00 0.00 64.05 61.01 1ths n THR 14 Cb 0.12 0.48 0.44 0.00 -2.10 0.00 0.00 70.33 69.28 1ths n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1ths h GLU 14 N 0.00 0.00 -0.14 -0.78 4.11 -1.94 -2.17 114.58 113.65 1ths h GLU 14 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1ths h GLU 14 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1ths h GLU 14 CO 0.00 0.30 0.12 -0.09 0.07 0.00 0.00 179.01 179.41 1ths h ARG 14 N 0.00 0.00 -0.88 1.06 2.43 -1.87 -2.87 114.38 112.25 1ths h ARG 14 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ths h ARG 14 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1ths h ARG 14 CO 0.04 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.59 1ths n GLU 14 N -4.21 0.27 0.00 0.20 2.13 -0.82 -1.66 120.64 116.55 1ths n GLU 14 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ths n GLU 14 Cb 0.24 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1ths n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ths n LEU 14 N 0.57 0.00 0.18 4.31 7.99 -1.09 -3.33 117.00 125.64 1ths n LEU 14 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.14 1ths n LEU 14 Cb 0.10 0.00 0.61 0.00 -0.11 0.00 0.00 43.42 44.02 1ths n LEU 14 CO 0.00 0.00 0.91 -0.33 -1.51 0.00 0.00 177.39 176.46 1ths h GLU 14 N 0.00 0.00 0.00 3.23 5.08 -1.61 0.25 114.58 121.53 1ths h GLU 14 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1ths h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ths h GLU 14 CO 0.00 0.00 -0.96 0.66 -1.00 0.00 0.00 179.01 177.71 1ths h SER 14 N 0.00 0.00 -0.41 1.42 4.64 -1.81 -2.88 113.55 114.50 1ths h SER 14 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1ths h SER 14 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.28 1ths h SER 14 CO 0.00 0.31 0.22 -1.22 -0.87 0.00 0.00 176.83 175.27 1ths n TYR 14 N -2.90 1.31 -3.54 4.77 4.01 -0.99 -4.72 117.16 115.09 1ths n TYR 14 Ca -0.03 -0.90 -0.21 0.00 -0.16 0.00 0.00 57.90 56.59 1ths n TYR 14 Cb 0.69 -0.50 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1ths n TYR 14 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1ths n ILE 14 N -0.11 -6.49 -2.15 -0.72 -5.35 -1.22 -4.32 119.36 99.01 1ths n ILE 14 Ca 0.24 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1ths n ILE 14 Cb 0.95 -4.75 0.00 0.00 -1.74 0.00 0.00 39.64 34.10 1ths n ILE 14 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ths n ASP 14 N -2.45 -8.71 0.24 7.28 8.00 -0.27 -4.97 116.55 115.67 1ths n ASP 14 Ca -0.12 1.59 0.00 0.00 0.71 0.00 0.00 54.79 56.97 1ths n ASP 14 Cb 0.59 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 1ths n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ths n GLY 14 N 1.66 -0.90 0.00 0.44 0.00 0.72 -4.88 105.19 102.22 1ths n GLY 14 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ths n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19