#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qj1 n PHE 1 N 0.00 0.00 0.00 1.09 -0.00 0.40 -2.36 117.46 116.59 1qj1 n PHE 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1qj1 n PHE 1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1qj1 n PHE 1 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qj1 n GLY 1 N 0.57 -1.63 3.55 7.13 0.00 -0.44 -4.66 105.19 109.72 1qj1 n GLY 1 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1qj1 n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qj1 s SER 1 N -1.61 5.51 0.00 1.61 0.15 -1.26 -4.65 113.70 113.45 1qj1 s SER 1 Ca 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1qj1 s SER 1 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1qj1 s SER 1 CO 0.00 -2.30 0.00 0.61 1.20 0.00 0.00 173.24 172.75 1qj1 n GLY 1 N 6.08 1.81 3.94 9.45 0.00 -1.00 -4.85 105.19 120.63 1qj1 n GLY 1 Ca 0.24 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1qj1 n GLY 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qj1 s GLU 1 N 0.00 3.47 0.00 1.61 1.03 -1.26 -0.45 118.70 123.10 1qj1 s GLU 1 Ca 0.00 -0.52 0.00 0.00 0.03 0.00 0.00 54.97 54.48 1qj1 s GLU 1 Cb 0.00 -2.91 0.00 0.00 -0.80 0.00 0.00 34.13 30.42 1qj1 s GLU 1 CO 0.00 0.47 0.00 0.00 -1.33 0.00 0.00 175.26 174.40 1qj1 n ALA 1 N -0.66 0.00 0.48 -0.84 0.00 -1.26 -1.33 120.51 116.90 1qj1 n ALA 1 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 1qj1 n ALA 1 Cb 0.54 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.14 1qj1 n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qj1 n ASP 1 N 2.44 3.07 -4.50 0.00 2.03 -1.26 -5.03 116.55 113.30 1qj1 n ASP 1 Ca 0.00 -1.91 -0.40 0.00 0.52 0.00 0.00 54.79 53.00 1qj1 n ASP 1 Cb 0.00 -0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.28 1qj1 n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qj1 n GLY 2 N 1.63 0.97 3.38 0.00 0.00 -1.26 -4.94 105.19 104.97 1qj1 n GLY 2 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1qj1 n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qj1 s LEU 3 N 0.00 4.45 -0.02 0.99 1.43 -1.13 -5.03 118.68 119.36 1qj1 s LEU 3 Ca 0.00 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1qj1 s LEU 3 Cb 0.00 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1qj1 s LEU 3 CO 0.00 -0.31 0.96 -0.13 0.23 0.00 0.00 176.35 177.10 1qj1 s ARG 4 N 1.56 4.53 0.27 1.70 0.52 -1.26 -4.77 118.95 121.48 1qj1 s ARG 4 Ca 0.03 1.36 -0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1qj1 s ARG 4 Cb -0.18 -3.47 0.56 0.00 0.52 0.00 0.00 34.95 32.38 1qj1 s ARG 4 CO 0.06 -0.08 1.74 -1.35 0.02 0.00 0.00 175.30 175.69 1qj1 h PRO 5 N 6.84 0.52 -0.01 3.54 0.11 -1.98 -0.84 132.00 140.18 1qj1 h PRO 5 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qj1 h PRO 5 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qj1 h PRO 5 CO 0.77 0.34 -0.09 1.28 -0.21 0.00 0.00 178.00 180.09 1qj1 n LEU 6 N -4.94 0.83 0.00 2.35 4.77 -1.26 -4.06 117.00 114.69 1qj1 n LEU 6 Ca 0.18 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1qj1 n LEU 6 Cb 0.48 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1qj1 n LEU 6 CO 0.19 0.15 0.00 0.49 -1.33 0.00 0.00 177.39 176.88 1qj1 n PHE 7 N -0.56 0.00 -0.23 -1.77 3.72 -0.38 -4.68 117.46 113.56 1qj1 n PHE 7 Ca 0.17 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.60 1qj1 n PHE 7 Cb 0.29 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.98 1qj1 n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qj1 h GLU 8 N 0.00 0.25 -0.21 -1.08 3.07 -1.58 0.61 114.58 115.64 1qj1 h GLU 8 Ca 0.00 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1qj1 h GLU 8 Cb 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1qj1 h GLU 8 CO 0.00 0.16 0.21 0.87 -1.40 0.00 0.00 179.01 178.86 1qj1 h LYS 9 N 0.26 0.00 -0.47 2.33 1.79 -1.58 -1.73 116.57 117.16 1qj1 h LYS 9 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1qj1 h LYS 9 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1qj1 h LYS 9 CO -0.47 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.53 1qj1 n LYS 10 N -3.88 3.04 -4.14 3.15 5.02 -0.05 -4.95 118.16 116.34 1qj1 n LYS 10 Ca 0.02 -2.46 -0.35 0.00 -2.02 0.00 0.00 58.31 53.50 1qj1 n LYS 10 Cb 0.34 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1qj1 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qj1 n SER 11 N 0.70 -3.67 -4.70 4.39 2.88 -0.65 -4.99 113.62 107.57 1qj1 n SER 11 Ca 0.18 -0.95 -0.34 0.00 -1.33 0.00 0.00 58.87 56.44 1qj1 n SER 11 Cb 0.63 -2.99 -0.09 0.00 -0.75 0.00 0.00 64.21 61.01 1qj1 n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1qj1 s LEU 12 N -7.25 3.61 -0.01 2.46 1.43 0.00 -4.98 118.68 113.94 1qj1 s LEU 12 Ca 0.73 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1qj1 s LEU 12 Cb -0.39 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1qj1 s LEU 12 CO 0.90 0.33 0.23 -1.61 0.23 0.00 0.00 176.35 176.43 1qj1 s GLU 13 N -1.24 3.53 0.88 1.70 2.02 -1.26 -3.79 118.70 120.53 1qj1 s GLU 13 Ca 0.17 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.89 1qj1 s GLU 13 Cb -0.11 -3.10 0.12 0.00 0.10 0.00 0.00 34.13 31.13 1qj1 s GLU 13 CO 0.07 0.67 1.14 0.16 0.02 0.00 0.00 175.26 177.32 1qj1 s ASP 14 N -1.68 3.82 0.09 -0.19 1.47 -1.26 -4.96 116.67 113.97 1qj1 s ASP 14 Ca 0.26 0.97 0.20 0.00 1.18 0.00 0.00 52.55 55.16 1qj1 s ASP 14 Cb -0.13 -1.56 0.83 0.00 -0.34 0.00 0.00 42.92 41.72 1qj1 s ASP 14 CO 0.15 -2.36 1.63 2.29 0.68 0.00 0.00 175.17 177.57 1qj1 n LYS 14 N -3.64 0.08 -0.04 2.11 2.85 -1.26 -3.16 118.16 115.10 1qj1 n LYS 14 Ca 0.07 0.26 0.01 0.00 -1.05 0.00 0.00 58.31 57.60 1qj1 n LYS 14 Cb 0.59 -1.63 0.01 0.00 -0.65 0.00 0.00 35.03 33.35 1qj1 n LYS 14 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1qj1 n THR 14 N -1.77 0.67 0.27 0.58 -2.24 -1.26 -4.81 114.28 105.70 1qj1 n THR 14 Ca 0.04 -0.70 0.16 0.00 -2.27 0.00 0.00 64.05 61.27 1qj1 n THR 14 Cb 0.23 0.60 0.63 0.00 -2.10 0.00 0.00 70.33 69.70 1qj1 n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qj1 h GLU 14 N 0.00 0.00 -0.94 -0.78 4.11 -1.93 -2.47 114.58 112.56 1qj1 h GLU 14 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1qj1 h GLU 14 Cb 0.78 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 1qj1 h GLU 14 CO 0.00 0.05 0.60 -0.09 0.07 0.00 0.00 179.01 179.63 1qj1 h ARG 14 N 0.00 1.04 -0.10 1.06 9.65 -1.87 -2.54 114.38 121.61 1qj1 h ARG 14 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1qj1 h ARG 14 Cb 0.57 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1qj1 h ARG 14 CO 0.01 0.69 0.00 -1.91 2.80 0.00 0.00 179.97 181.56 1qj1 n GLU 14 N -4.56 0.00 0.00 0.20 2.13 -0.93 -0.13 120.64 117.35 1qj1 n GLU 14 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1qj1 n GLU 14 Cb 0.19 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1qj1 n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1qj1 n LEU 14 N 0.26 0.00 0.26 4.31 7.99 -0.96 -2.58 117.00 126.28 1qj1 n LEU 14 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 1qj1 n LEU 14 Cb 0.00 0.00 0.70 0.00 -0.11 0.00 0.00 43.42 44.01 1qj1 n LEU 14 CO 0.00 0.00 0.95 -0.33 -1.51 0.00 0.00 177.39 176.50 1qj1 h GLU 14 N 0.00 0.00 -0.00 3.23 5.08 -0.73 -1.88 114.58 120.28 1qj1 h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qj1 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qj1 h GLU 14 CO 0.00 0.13 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.97 1qj1 n SER 14 N -3.56 0.06 -3.64 1.42 3.41 -1.07 -2.03 113.62 108.21 1qj1 n SER 14 Ca -0.01 0.24 -0.41 0.00 -0.26 0.00 0.00 58.87 58.42 1qj1 n SER 14 Cb 0.27 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1qj1 n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qj1 n TYR 14 N -1.42 2.70 -4.13 7.33 4.01 -0.71 -4.44 117.16 120.50 1qj1 n TYR 14 Ca 0.09 -2.79 -0.35 0.00 -0.16 0.00 0.00 57.90 54.69 1qj1 n TYR 14 Cb 0.31 -1.85 -0.02 0.00 -0.31 0.00 0.00 39.34 37.48 1qj1 n TYR 14 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1qj1 n ILE 14 N 2.28 -1.07 0.00 -0.72 -5.35 -1.26 -3.70 119.36 109.55 1qj1 n ILE 14 Ca 0.52 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.00 1qj1 n ILE 14 Cb 0.29 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.44 1qj1 n ILE 14 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1qj1 n ASP 14 N -2.62 0.00 0.00 7.28 8.00 -0.86 -4.50 116.55 123.85 1qj1 n ASP 14 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1qj1 n ASP 14 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1qj1 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qj1 n GLY 14 N 0.00 3.79 0.00 0.44 0.00 -1.24 -4.38 105.19 103.79 1qj1 n GLY 14 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1qj1 n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36