#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sak n LYS 2 N 0.00 0.00 -1.47 1.64 4.81 -1.26 -4.86 118.16 117.03 3sak n LYS 2 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3sak n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3sak n LYS 3 N 0.00 -3.40 0.00 1.64 5.02 -1.26 -4.89 118.16 115.27 3sak n LYS 3 Ca 0.00 2.69 0.00 0.00 -2.02 0.00 0.00 58.31 58.98 3sak n LYS 3 Cb 0.00 -3.59 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 3sak n LYS 3 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3sak n PRO 4 N -3.16 0.61 -2.77 1.97 -0.04 -1.26 -4.93 135.00 125.42 3sak n PRO 4 Ca -0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 3sak n PRO 4 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 3sak n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3sak s LEU 5 N 0.00 4.08 0.64 1.53 1.43 -1.26 -5.04 118.68 120.06 3sak s LEU 5 Ca 0.00 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3sak s LEU 5 Cb 0.00 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 3sak s LEU 5 CO 0.00 -0.30 1.05 -1.81 0.23 0.00 0.00 176.35 175.51 3sak s ASP 6 N -1.94 6.00 0.67 2.29 1.01 -1.26 -5.02 116.67 118.41 3sak s ASP 6 Ca 0.58 1.38 -0.15 0.00 0.71 0.00 0.00 52.55 55.07 3sak s ASP 6 Cb -0.13 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3sak s ASP 6 CO 0.18 -1.02 1.14 -0.83 0.21 0.00 0.00 175.17 174.85 3sak s GLY 7 N -4.18 2.24 0.38 0.21 0.00 -1.26 -4.93 107.32 99.78 3sak s GLY 7 Ca 0.56 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.66 3sak s GLY 7 CO 0.54 1.03 1.50 -0.54 0.00 0.00 0.00 173.10 175.62 3sak s GLU 8 N -3.98 4.09 -0.10 2.90 2.02 -1.26 -4.99 118.70 117.38 3sak s GLU 8 Ca 0.69 2.60 -0.04 0.00 0.02 0.00 0.00 54.97 58.24 3sak s GLU 8 Cb -0.23 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3sak s GLU 8 CO 0.41 -0.56 0.08 0.71 0.02 0.00 0.00 175.26 175.93 3sak s TYR 9 N -1.12 3.40 -0.01 1.61 1.51 -1.26 -5.11 117.35 116.37 3sak s TYR 9 Ca 0.53 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 3sak s TYR 9 Cb -0.47 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 3sak s TYR 9 CO 0.64 0.62 -0.12 -0.06 -1.11 0.00 0.00 175.55 175.52 3sak s PHE 10 N -0.98 1.13 0.39 2.71 0.08 -1.26 -5.14 117.98 114.90 3sak s PHE 10 Ca 0.15 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 3sak s PHE 10 Cb -0.12 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 3sak s PHE 10 CO 0.04 -0.04 0.70 0.95 -0.10 0.00 0.00 175.22 176.77 3sak s THR 11 N -0.21 4.90 -0.12 0.64 -4.23 -1.26 -5.09 115.64 110.27 3sak s THR 11 Ca 0.03 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3sak s THR 11 Cb -0.06 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.06 3sak s THR 11 CO -0.00 -0.55 0.29 -0.22 -0.54 0.00 0.00 174.62 173.60 3sak s LEU 12 N -4.01 0.26 -0.06 4.79 2.96 -1.26 -5.13 118.68 116.23 3sak s LEU 12 Ca 0.48 0.63 -0.25 0.00 -0.22 0.00 0.00 54.13 54.76 3sak s LEU 12 Cb -0.10 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.46 3sak s LEU 12 CO 0.35 -0.17 0.80 -1.58 -1.32 0.00 0.00 176.35 174.42 3sak s GLN 13 N 1.31 4.45 -0.17 1.98 0.74 -1.26 -5.04 119.66 121.66 3sak s GLN 13 Ca -0.09 1.04 0.01 0.00 0.05 0.00 0.00 55.36 56.37 3sak s GLN 13 Cb -0.10 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.56 3sak s GLN 13 CO -0.10 -0.03 -0.19 0.42 -0.55 0.00 0.00 175.29 174.85 3sak s ILE 14 N 1.07 1.97 0.45 -2.34 1.01 -1.26 -5.12 121.20 116.98 3sak s ILE 14 Ca 0.41 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 3sak s ILE 14 Cb -0.18 -1.79 -0.10 0.00 0.01 0.00 0.00 42.46 40.40 3sak s ILE 14 CO 0.20 0.52 0.99 -0.60 0.00 0.00 0.00 174.94 176.05 3sak s ARG 15 N 1.33 4.05 0.01 2.79 3.52 -1.26 -4.76 118.95 124.62 3sak s ARG 15 Ca 0.05 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 3sak s ARG 15 Cb -0.13 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3sak s ARG 15 CO -0.13 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 3sak n GLY 16 N -0.39 -3.54 0.31 8.12 0.00 -1.26 -4.46 105.19 103.97 3sak n GLY 16 Ca 0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 3sak n GLY 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3sak h ARG 17 N 0.07 1.09 -0.77 1.61 2.43 -2.00 -2.10 114.38 114.72 3sak h ARG 17 Ca 0.00 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3sak h ARG 17 Cb 0.00 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3sak h ARG 17 CO 0.00 1.04 0.51 0.93 -1.51 0.00 0.00 179.97 180.94 3sak h GLU 18 N 1.00 1.01 -0.77 0.20 5.08 -1.98 -0.53 114.58 118.59 3sak h GLU 18 Ca 0.18 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3sak h GLU 18 Cb 0.53 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3sak h GLU 18 CO 0.03 0.67 0.35 -0.09 -1.00 0.00 0.00 179.01 178.96 3sak h ARG 19 N 1.04 1.12 -0.00 2.33 2.43 -1.72 -0.43 114.38 119.15 3sak h ARG 19 Ca 0.28 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3sak h ARG 19 Cb -0.12 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3sak h ARG 19 CO -0.06 0.88 0.00 0.35 -1.51 0.00 0.00 179.97 179.63 3sak h PHE 20 N 1.09 0.00 -1.01 2.20 3.57 -0.59 0.28 116.94 122.49 3sak h PHE 20 Ca 0.26 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 3sak h PHE 20 Cb 0.15 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3sak h PHE 20 CO 0.01 0.00 0.67 0.93 -2.23 0.00 0.00 178.31 177.69 3sak h GLU 21 N 0.00 1.32 -0.01 1.11 5.08 -0.86 0.13 114.58 121.36 3sak h GLU 21 Ca 0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3sak h GLU 21 Cb 0.00 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3sak h GLU 21 CO -0.00 0.88 0.00 1.98 -1.00 0.00 0.00 179.01 180.87 3sak h MET 22 N 1.36 0.01 -0.87 2.33 4.05 -0.37 -1.57 114.93 119.87 3sak h MET 22 Ca 0.37 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 3sak h MET 22 Cb -0.16 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 3sak h MET 22 CO -0.08 0.08 0.44 0.74 0.23 0.00 0.00 176.91 178.32 3sak h PHE 23 N -0.07 1.23 -0.89 1.39 -1.00 0.10 -2.08 116.94 115.63 3sak h PHE 23 Ca 0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3sak h PHE 23 Cb 0.08 -0.39 -0.05 0.00 3.61 0.00 0.00 35.95 39.20 3sak h PHE 23 CO -0.05 0.87 0.58 -0.09 -1.61 0.00 0.00 178.31 178.02 3sak h ARG 24 N 1.23 1.12 -0.08 1.51 2.43 -0.45 0.52 114.38 120.66 3sak h ARG 24 Ca 0.30 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3sak h ARG 24 Cb 0.09 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3sak h ARG 24 CO -0.04 0.74 0.05 1.49 -1.51 0.00 0.00 179.97 180.70 3sak h GLU 25 N 1.16 0.11 -0.14 0.20 4.81 -0.63 1.30 114.58 121.38 3sak h GLU 25 Ca 0.34 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3sak h GLU 25 Cb -0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3sak h GLU 25 CO -0.10 0.07 0.08 -0.07 -0.73 0.00 0.00 179.01 178.26 3sak h LEU 26 N 0.11 0.17 -0.16 1.64 3.38 -0.78 0.41 115.31 120.08 3sak h LEU 26 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3sak h LEU 26 Cb -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3sak h LEU 26 CO -0.01 0.19 0.10 -1.13 0.09 0.00 0.00 178.44 177.69 3sak h ASN 27 N 0.13 0.18 -0.86 -0.43 -0.73 0.40 -0.41 115.58 113.85 3sak h ASN 27 Ca 0.05 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.22 3sak h ASN 27 Cb 0.06 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.57 3sak h ASN 27 CO -0.01 0.13 0.57 -0.08 -0.37 0.00 0.00 177.43 177.67 3sak h GLU 28 N 0.21 1.14 -0.06 6.67 4.81 0.20 0.25 114.58 127.80 3sak h GLU 28 Ca 0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3sak h GLU 28 Cb -0.02 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 3sak h GLU 28 CO -0.01 0.76 0.04 0.00 -0.73 0.00 0.00 179.01 179.06 3sak h ALA 29 N 1.31 0.07 -0.65 2.92 0.00 0.43 0.11 119.26 123.45 3sak h ALA 29 Ca 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3sak h ALA 29 Cb -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3sak h ALA 29 CO -0.07 -0.44 0.38 -0.07 0.00 0.00 0.00 179.25 179.06 3sak h LEU 30 N 0.07 0.79 -0.96 0.00 3.38 -0.61 -1.42 115.31 116.57 3sak h LEU 30 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3sak h LEU 30 Cb -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3sak h LEU 30 CO -0.00 0.63 0.61 -0.33 0.09 0.00 0.00 178.44 179.44 3sak h GLU 31 N 0.88 1.29 -0.05 1.13 5.08 -0.54 0.73 114.58 123.10 3sak h GLU 31 Ca 0.23 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3sak h GLU 31 Cb -0.00 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 3sak h GLU 31 CO -0.04 0.88 0.03 1.25 -1.00 0.00 0.00 179.01 180.13 3sak h LEU 32 N 1.32 0.06 -1.02 1.33 5.85 -0.05 -0.80 115.31 121.99 3sak h LEU 32 Ca 0.35 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3sak h LEU 32 Cb -0.10 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3sak h LEU 32 CO -0.07 0.04 0.66 0.50 -0.34 0.00 0.00 178.44 179.24 3sak h LYS 33 N 0.07 1.32 -1.01 1.25 3.64 -0.71 -1.72 116.57 119.41 3sak h LYS 33 Ca 0.02 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3sak h LYS 33 Cb -0.01 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.47 3sak h LYS 33 CO -0.00 0.87 0.67 -0.44 -2.27 0.00 0.00 179.45 178.28 3sak h ASP 34 N 1.36 1.16 -0.88 4.20 3.32 -0.18 -0.27 116.42 125.12 3sak h ASP 34 Ca 0.37 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3sak h ASP 34 Cb -0.16 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.06 3sak h ASP 34 CO -0.08 0.84 0.45 0.00 -1.72 0.00 0.00 179.24 178.73 3sak h ALA 35 N 1.37 1.13 0.00 3.45 0.00 -0.25 -1.42 119.26 123.54 3sak h ALA 35 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3sak h ALA 35 Cb -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.28 3sak h ALA 35 CO -0.08 0.67 -0.04 1.04 0.00 0.00 0.00 179.25 180.84 3sak n GLN 36 N -4.31 0.02 -0.01 0.00 6.02 -0.79 -3.43 117.38 114.87 3sak n GLN 36 Ca 0.09 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 3sak n GLN 36 Cb 0.12 -1.52 0.09 0.00 1.02 0.00 0.00 30.24 29.95 3sak n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3sak h ALA 37 N 2.97 0.81 0.00 -1.58 0.00 0.08 -3.25 119.26 118.29 3sak h ALA 37 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3sak h ALA 37 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3sak h ALA 37 CO 0.00 0.66 0.14 0.41 0.00 0.00 0.00 179.25 180.45 3sak n GLY 38 N 0.06 1.48 3.75 0.00 0.00 -1.21 -4.83 105.19 104.45 3sak n GLY 38 Ca -0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3sak n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3sak s LYS 39 N 2.00 4.57 0.64 1.61 2.20 -1.23 -5.01 119.74 124.51 3sak s LYS 39 Ca 0.14 1.17 -0.18 0.00 -0.36 0.00 0.00 55.97 56.75 3sak s LYS 39 Cb 0.07 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3sak s LYS 39 CO 0.00 0.38 1.04 -0.85 -0.36 0.00 0.00 175.35 175.56 3sak n GLU 40 N 2.35 0.87 -0.63 4.03 0.28 -1.26 -4.92 120.64 121.36 3sak n GLU 40 Ca -0.03 0.35 -0.31 0.00 -0.16 0.00 0.00 57.16 57.00 3sak n GLU 40 Cb 0.49 -2.26 0.19 0.00 1.43 0.00 0.00 31.44 31.29 3sak n GLU 40 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3sak n PRO 41 N -1.39 -1.70 -0.98 3.44 -0.01 -1.26 -5.24 135.00 127.86 3sak n PRO 41 Ca 0.14 -0.47 0.00 0.00 -0.01 0.00 0.00 63.50 63.16 3sak n PRO 41 Cb 0.48 -1.83 0.00 0.00 -0.01 0.00 0.00 33.50 32.14 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90