#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppb n PHE 1 N 0.00 0.00 -1.74 1.09 7.35 -1.26 -5.05 117.46 117.86 1ppb n PHE 1 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1ppb n PHE 1 Cb 0.00 -0.08 0.01 0.00 0.35 0.00 0.00 39.48 39.76 1ppb n PHE 1 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ppb n GLY 1 N 1.73 -0.01 2.08 7.13 0.00 -1.26 -4.98 105.19 109.88 1ppb n GLY 1 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ppb n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ppb n SER 1 N 0.60 -1.59 0.00 1.61 7.64 -1.26 -4.99 113.62 115.64 1ppb n SER 1 Ca -0.03 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1ppb n SER 1 Cb 0.14 1.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 1ppb n SER 1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppb n GLY 1 N 0.01 0.04 0.00 0.23 0.00 -1.26 -4.85 105.19 99.36 1ppb n GLY 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppb n GLY 1 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ppb n GLU 1 N -0.59 0.00 0.00 1.61 -0.00 -1.26 -4.80 120.64 115.60 1ppb n GLU 1 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 1ppb n GLU 1 Cb 0.00 -0.95 0.00 0.00 -0.00 0.00 0.00 31.44 30.49 1ppb n GLU 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ppb n ALA 1 N -0.72 0.00 -2.10 -1.84 0.00 -1.26 -3.84 120.51 110.75 1ppb n ALA 1 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ppb n ALA 1 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1ppb n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ppb n ASP 1 N 0.00 2.42 -4.80 0.00 2.03 -1.26 -5.09 116.55 109.85 1ppb n ASP 1 Ca 0.00 -3.17 -0.33 0.00 0.52 0.00 0.00 54.79 51.80 1ppb n ASP 1 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 1ppb n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ppb n GLY 2 N -0.57 2.03 3.69 0.00 0.00 -1.26 -4.96 105.19 104.12 1ppb n GLY 2 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ppb n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ppb s LEU 3 N 0.00 4.02 -0.20 0.99 1.43 -1.17 -5.03 118.68 118.71 1ppb s LEU 3 Ca 0.00 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1ppb s LEU 3 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1ppb s LEU 3 CO 0.00 0.19 -0.07 -0.60 0.23 0.00 0.00 176.35 176.10 1ppb s ARG 4 N 0.27 3.37 0.07 1.70 3.52 -1.26 -4.89 118.95 121.74 1ppb s ARG 4 Ca 0.06 -0.64 -0.17 0.00 -0.13 0.00 0.00 55.73 54.84 1ppb s ARG 4 Cb -0.12 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1ppb s ARG 4 CO -0.01 -0.10 1.29 -1.35 -0.81 0.00 0.00 175.30 174.33 1ppb h PRO 5 N 7.76 -0.15 0.00 5.12 0.11 -1.97 -1.63 132.00 141.23 1ppb h PRO 5 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ppb h PRO 5 Cb 1.17 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ppb h PRO 5 CO 0.60 -0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 1ppb n LEU 6 N -4.16 0.00 0.00 2.35 4.32 -1.26 -3.41 117.00 114.84 1ppb n LEU 6 Ca -0.01 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1ppb n LEU 6 Cb 0.17 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1ppb n LEU 6 CO -0.02 -0.09 0.00 0.49 -1.22 0.00 0.00 177.39 176.55 1ppb n PHE 7 N -1.15 0.00 -0.21 -1.77 3.72 -0.94 -4.70 117.46 112.41 1ppb n PHE 7 Ca 0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 1ppb n PHE 7 Cb 0.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1ppb n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ppb h GLU 8 N 0.00 1.06 -0.99 -1.08 3.07 -1.47 0.92 114.58 116.09 1ppb h GLU 8 Ca 0.00 -0.34 0.13 0.00 -0.50 0.00 0.00 59.36 58.65 1ppb h GLU 8 Cb 0.00 -0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 27.73 1ppb h GLU 8 CO 0.00 1.04 0.62 0.87 -1.40 0.00 0.00 179.01 180.14 1ppb h LYS 9 N 0.97 0.93 -0.54 2.33 6.56 -1.54 -1.21 116.57 124.06 1ppb h LYS 9 Ca 0.17 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1ppb h LYS 9 Cb 0.57 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1ppb h LYS 9 CO 0.03 0.61 0.00 1.63 -2.06 0.00 0.00 179.45 179.66 1ppb n LYS 10 N -4.65 2.27 -3.98 3.15 5.02 -0.63 -4.94 118.16 114.41 1ppb n LYS 10 Ca 0.19 -1.94 -0.26 0.00 -2.02 0.00 0.00 58.31 54.28 1ppb n LYS 10 Cb 0.38 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1ppb n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ppb n SER 11 N 1.06 -0.20 -4.42 4.39 7.64 -0.46 -4.96 113.62 116.68 1ppb n SER 11 Ca 0.18 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.74 1ppb n SER 11 Cb 0.46 -2.96 -0.12 0.00 -1.01 0.00 0.00 64.21 60.58 1ppb n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ppb s LEU 12 N -6.99 2.43 -0.08 -3.43 1.43 0.21 -5.01 118.68 107.23 1ppb s LEU 12 Ca 0.00 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1ppb s LEU 12 Cb -0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1ppb s LEU 12 CO 0.90 0.18 0.05 -1.61 0.23 0.00 0.00 176.35 176.09 1ppb s GLU 13 N -2.10 3.11 0.67 1.70 2.02 -1.26 -4.12 118.70 118.73 1ppb s GLU 13 Ca 0.15 -0.34 -0.10 0.00 0.02 0.00 0.00 54.97 54.69 1ppb s GLU 13 Cb -0.10 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1ppb s GLU 13 CO 0.07 0.72 1.05 0.16 0.02 0.00 0.00 175.26 177.28 1ppb s ASP 14 N -1.05 5.56 0.53 -0.19 1.47 -1.26 -4.95 116.67 116.78 1ppb s ASP 14 Ca 0.15 1.09 0.35 0.00 1.18 0.00 0.00 52.55 55.31 1ppb s ASP 14 Cb -0.12 -1.95 1.61 0.00 -0.34 0.00 0.00 42.92 42.12 1ppb s ASP 14 CO 0.04 -1.24 2.03 0.07 0.68 0.00 0.00 175.17 176.76 1ppb h LYS 14 N -0.53 0.00 0.00 2.11 2.10 -2.05 -2.08 116.57 116.12 1ppb h LYS 14 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ppb h LYS 14 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1ppb h LYS 14 CO 0.63 0.00 -0.16 0.25 -2.00 0.00 0.00 179.45 178.17 1ppb n THR 14 N -2.90 0.98 0.05 0.07 -2.24 -1.26 -4.86 114.28 104.12 1ppb n THR 14 Ca -0.00 -1.15 -0.21 0.00 -2.27 0.00 0.00 64.05 60.42 1ppb n THR 14 Cb 0.20 0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.53 1ppb n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ppb h GLU 14 N 0.00 0.63 -0.08 -0.78 4.81 -1.76 -3.16 114.58 114.23 1ppb h GLU 14 Ca 0.00 -0.74 0.02 0.00 -0.13 0.00 0.00 59.36 58.52 1ppb h GLU 14 Cb 1.07 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ppb h GLU 14 CO 0.00 1.31 0.23 0.00 -0.73 0.00 0.00 179.01 179.83 1ppb h ARG 14 N 0.26 0.00 0.00 1.92 3.08 -1.89 -3.27 114.38 114.48 1ppb h ARG 14 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ppb h ARG 14 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1ppb h ARG 14 CO 0.20 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.19 1ppb n GLU 14 N -3.24 0.00 0.00 0.04 2.13 -1.20 -0.37 120.64 118.00 1ppb n GLU 14 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ppb n GLU 14 Cb 0.31 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.04 1ppb n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ppb n LEU 14 N 0.28 0.00 -0.32 4.31 7.99 -1.24 -1.55 117.00 126.47 1ppb n LEU 14 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 56.01 56.17 1ppb n LEU 14 Cb 0.00 0.00 0.42 0.00 -0.11 0.00 0.00 43.42 43.73 1ppb n LEU 14 CO 0.00 0.00 1.20 -0.33 -1.51 0.00 0.00 177.39 176.75 1ppb h GLU 14 N 0.00 0.56 0.00 3.23 5.08 -1.01 -0.25 114.58 122.19 1ppb h GLU 14 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ppb h GLU 14 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ppb h GLU 14 CO 0.00 0.37 0.00 0.66 -1.00 0.00 0.00 179.01 179.04 1ppb h SER 14 N 0.57 0.00 -1.24 1.42 4.64 -1.55 -3.15 113.55 114.24 1ppb h SER 14 Ca 0.56 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.19 1ppb h SER 14 Cb 1.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1ppb h SER 14 CO -0.32 0.00 1.86 -1.22 -0.87 0.00 0.00 176.83 176.28 1ppb n TYR 14 N -2.91 2.41 0.00 4.77 4.01 -0.11 -4.22 117.16 121.11 1ppb n TYR 14 Ca -0.01 -2.61 0.00 0.00 -0.16 0.00 0.00 57.90 55.13 1ppb n TYR 14 Cb 0.20 -1.68 0.00 0.00 -0.31 0.00 0.00 39.34 37.55 1ppb n TYR 14 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1ppb n ILE 14 N 1.36 0.00 -1.41 -0.72 5.41 -1.26 -4.77 119.36 117.97 1ppb n ILE 14 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.33 1ppb n ILE 14 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 1ppb n ILE 14 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ppb n ASP 14 N 0.00 0.24 0.00 4.38 2.03 -1.26 -5.13 116.55 116.81 1ppb n ASP 14 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ppb n ASP 14 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ppb n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ppb n GLY 14 N 0.00 1.56 0.00 0.27 0.00 -1.19 -4.71 105.19 101.12 1ppb n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppb n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36