#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 -2.64 -3.60 1.97 4.81 -1.26 -4.82 118.16 112.62 3sak n LYS 2 Ca 0.00 2.09 -0.26 0.00 -0.87 0.00 0.00 58.31 59.27 3sak n LYS 2 Cb 0.00 -3.22 0.03 0.00 0.02 0.00 0.00 35.03 31.86 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 -4.01 -1.31 -1.51 1.64 5.02 -1.26 -4.87 118.16 111.87 3sak n LYS 3 Ca -0.06 0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 56.51 3sak n LYS 3 Cb 0.60 -4.18 0.07 0.00 -0.02 0.00 0.00 35.03 31.50 3sak n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3sak n PRO 4 N -3.65 0.73 -2.60 1.97 -0.02 -1.26 -4.87 135.00 125.31 3sak n PRO 4 Ca -0.11 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3sak n PRO 4 Cb 0.59 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3sak n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3sak s LEU 5 N -2.85 3.44 0.00 2.45 1.43 -1.26 -5.00 118.68 116.89 3sak s LEU 5 Ca 0.76 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3sak s LEU 5 Cb -0.38 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3sak s LEU 5 CO 0.47 -1.57 0.12 0.47 0.23 0.00 0.00 176.35 176.08 3sak n ASP 6 N 8.63 0.03 -4.67 2.29 8.00 -1.26 -5.03 116.55 124.54 3sak n ASP 6 Ca 0.06 -1.06 -0.30 0.00 0.71 0.00 0.00 54.79 54.21 3sak n ASP 6 Cb 0.49 -0.09 0.16 0.00 -0.02 0.00 0.00 41.12 41.66 3sak n ASP 6 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3sak s GLY 7 N -3.16 1.62 0.38 0.44 0.00 -1.26 -4.91 107.32 100.43 3sak s GLY 7 Ca 0.07 0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 3sak s GLY 7 CO 0.05 0.60 1.50 -0.54 0.00 0.00 0.00 173.10 174.71 3sak s GLU 8 N -4.77 4.09 0.14 2.90 2.02 -1.26 -4.99 118.70 116.83 3sak s GLU 8 Ca 0.65 2.60 -0.08 0.00 0.02 0.00 0.00 54.97 58.16 3sak s GLU 8 Cb -0.20 -2.96 -0.06 0.00 0.10 0.00 0.00 34.13 31.01 3sak s GLU 8 CO 0.59 -0.56 0.42 0.71 0.02 0.00 0.00 175.26 176.44 3sak s TYR 9 N -1.10 3.50 -0.02 1.61 2.02 -1.26 -5.10 117.35 117.01 3sak s TYR 9 Ca 0.53 0.71 0.02 0.00 -0.37 0.00 0.00 57.07 57.96 3sak s TYR 9 Cb -0.47 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 3sak s TYR 9 CO 0.64 0.43 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.93 3sak s PHE 10 N -1.60 0.60 0.30 2.71 0.40 -1.26 -5.14 117.98 113.99 3sak s PHE 10 Ca 0.39 -0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.50 3sak s PHE 10 Cb -0.13 -0.45 -0.07 0.00 0.51 0.00 0.00 43.02 42.88 3sak s PHE 10 CO 0.22 -0.07 0.64 0.95 0.70 0.00 0.00 175.22 177.66 3sak s THR 11 N 0.22 4.86 -0.11 0.64 -4.23 -1.26 -5.09 115.64 110.68 3sak s THR 11 Ca -0.03 0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 60.97 3sak s THR 11 Cb -0.07 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.16 3sak s THR 11 CO -0.00 -0.24 0.25 -0.22 -0.54 0.00 0.00 174.62 173.87 3sak s LEU 12 N -3.22 0.46 -0.04 4.79 2.96 -1.26 -5.13 118.68 117.24 3sak s LEU 12 Ca 0.49 0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 54.68 3sak s LEU 12 Cb -0.11 0.78 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 3sak s LEU 12 CO 0.24 -0.16 0.82 -1.58 -1.32 0.00 0.00 176.35 174.36 3sak s GLN 13 N 1.14 4.49 -0.17 1.98 0.74 -1.26 -5.04 119.66 121.54 3sak s GLN 13 Ca -0.08 1.12 0.01 0.00 0.05 0.00 0.00 55.36 56.46 3sak s GLN 13 Cb -0.09 -3.45 0.02 0.00 1.10 0.00 0.00 33.01 30.58 3sak s GLN 13 CO -0.08 0.01 -0.20 0.42 -0.55 0.00 0.00 175.29 174.89 3sak s ILE 14 N 0.89 2.06 0.32 -2.34 1.01 -1.26 -5.11 121.20 116.77 3sak s ILE 14 Ca 0.44 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 3sak s ILE 14 Cb -0.19 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3sak s ILE 14 CO 0.23 0.54 1.08 -0.60 0.00 0.00 0.00 174.94 176.19 3sak s ARG 15 N 1.19 4.48 0.00 2.79 3.52 -1.26 -4.77 118.95 124.91 3sak s ARG 15 Ca 0.03 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.34 3sak s ARG 15 Cb -0.14 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3sak s ARG 15 CO -0.11 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 3sak n GLY 16 N 0.93 -2.85 0.30 8.12 0.00 -1.26 -4.45 105.19 105.98 3sak n GLY 16 Ca 0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.07 -0.64 1.61 2.43 -2.00 -2.40 114.38 114.44 3sak h ARG 17 Ca 0.00 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3sak h ARG 17 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3sak h ARG 17 CO 0.00 1.06 0.42 0.93 -1.51 0.00 0.00 179.97 180.88 3sak h GLU 18 N 0.96 0.85 -1.00 0.20 5.08 -1.98 -1.63 114.58 117.06 3sak h GLU 18 Ca 0.16 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3sak h GLU 18 Cb 0.61 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3sak h GLU 18 CO 0.04 0.56 0.65 -0.09 -1.00 0.00 0.00 179.01 179.18 3sak h ARG 19 N 0.87 1.32 -0.11 2.33 2.43 -1.72 -1.45 114.38 118.04 3sak h ARG 19 Ca 0.23 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3sak h ARG 19 Cb -0.10 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.15 3sak h ARG 19 CO -0.05 0.88 0.07 0.35 -1.51 0.00 0.00 179.97 179.71 3sak h PHE 20 N 1.36 0.13 -0.66 2.20 3.57 -0.82 0.21 116.94 122.93 3sak h PHE 20 Ca 0.36 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.89 3sak h PHE 20 Cb -0.15 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 3sak h PHE 20 CO 0.00 0.08 0.43 0.93 -2.23 0.00 0.00 178.31 177.52 3sak h GLU 21 N 0.15 0.83 -0.03 1.11 5.08 -0.85 0.37 114.58 121.24 3sak h GLU 21 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3sak h GLU 21 Cb -0.01 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3sak h GLU 21 CO -0.01 0.55 0.02 1.98 -1.00 0.00 0.00 179.01 180.54 3sak h MET 22 N 0.85 0.04 -0.91 2.33 4.05 -0.77 -0.55 114.93 119.97 3sak h MET 22 Ca 0.26 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 3sak h MET 22 Cb -0.04 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 3sak h MET 22 CO -0.08 0.08 0.55 0.74 0.23 0.00 0.00 176.91 178.43 3sak h PHE 23 N -0.02 1.20 -0.50 1.39 -1.00 -0.09 -0.90 116.94 117.02 3sak h PHE 23 Ca 0.01 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3sak h PHE 23 Cb 0.06 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.19 3sak h PHE 23 CO -0.06 0.80 0.31 -0.09 -1.61 0.00 0.00 178.31 177.66 3sak h ARG 24 N 1.25 0.62 -0.26 1.51 2.43 0.16 0.48 114.38 120.57 3sak h ARG 24 Ca 0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3sak h ARG 24 Cb -0.05 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3sak h ARG 24 CO -0.06 0.41 0.17 1.49 -1.51 0.00 0.00 179.97 180.47 3sak h GLU 25 N 0.64 0.34 -0.59 0.20 4.81 -0.38 0.12 114.58 119.72 3sak h GLU 25 Ca 0.19 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3sak h GLU 25 Cb -0.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3sak h GLU 25 CO -0.07 0.23 0.25 -0.07 -0.73 0.00 0.00 179.01 178.62 3sak h LEU 26 N 0.35 0.80 0.00 1.64 3.38 -0.56 0.47 115.31 121.40 3sak h LEU 26 Ca 0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3sak h LEU 26 Cb -0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3sak h LEU 26 CO -0.02 0.74 -0.00 -1.13 0.09 0.00 0.00 178.44 178.12 3sak h ASN 27 N 0.81 -0.00 -0.82 -0.43 -0.73 0.41 -0.61 115.58 114.21 3sak h ASN 27 Ca 0.20 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 3sak h ASN 27 Cb 0.18 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 3sak h ASN 27 CO -0.02 -0.00 0.37 -0.33 -0.37 0.00 0.00 177.43 177.08 3sak h GLU 28 N -0.01 1.20 -0.01 6.67 5.08 -0.81 -1.12 114.58 125.59 3sak h GLU 28 Ca -0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3sak h GLU 28 Cb 0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3sak h GLU 28 CO 0.00 0.94 -0.01 0.00 -1.00 0.00 0.00 179.01 178.95 3sak h ALA 29 N 1.20 0.01 -0.50 3.43 0.00 -0.46 0.35 119.26 123.28 3sak h ALA 29 Ca 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3sak h ALA 29 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3sak h ALA 29 CO -0.03 -0.50 0.27 -0.07 0.00 0.00 0.00 179.25 178.91 3sak h LEU 30 N -0.00 0.63 -0.92 0.00 3.38 -0.89 -0.94 115.31 116.55 3sak h LEU 30 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3sak h LEU 30 Cb 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3sak h LEU 30 CO -0.02 0.55 0.58 -0.33 0.09 0.00 0.00 178.44 179.31 3sak h GLU 31 N 0.66 1.24 -0.46 1.13 5.08 -0.83 -1.07 114.58 120.34 3sak h GLU 31 Ca 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3sak h GLU 31 Cb 0.07 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3sak h GLU 31 CO -0.03 0.85 0.26 1.25 -1.00 0.00 0.00 179.01 180.34 3sak h LEU 32 N 1.27 0.56 -0.87 1.33 5.85 0.30 -2.15 115.31 121.59 3sak h LEU 32 Ca 0.33 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3sak h LEU 32 Cb -0.09 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3sak h LEU 32 CO -0.07 0.48 0.55 0.50 -0.34 0.00 0.00 178.44 179.56 3sak h LYS 33 N 0.60 1.17 -1.00 1.25 3.64 -0.54 -2.19 116.57 119.49 3sak h LYS 33 Ca 0.16 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3sak h LYS 33 Cb 0.03 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.55 3sak h LYS 33 CO -0.03 0.80 0.65 -0.44 -2.27 0.00 0.00 179.45 178.16 3sak h ASP 34 N 1.19 1.15 0.40 4.20 3.32 -0.69 -1.01 116.42 124.98 3sak h ASP 34 Ca 0.31 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3sak h ASP 34 Cb -0.09 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 3sak h ASP 34 CO -0.06 0.84 -0.20 0.00 -1.72 0.00 0.00 179.24 178.10 3sak h ALA 35 N 1.36 1.34 -0.22 3.45 0.00 -0.79 -2.55 119.26 121.85 3sak h ALA 35 Ca 0.36 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3sak h ALA 35 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3sak h ALA 35 CO -0.08 0.26 -0.55 0.37 0.00 0.00 0.00 179.25 179.25 3sak h GLN 36 N 0.00 0.65 -0.62 0.00 4.15 -0.82 -3.14 115.11 115.33 3sak h GLN 36 Ca -0.00 -0.41 -0.08 0.00 0.77 0.00 0.00 58.65 58.92 3sak h GLN 36 Cb 0.46 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3sak h GLN 36 CO 0.03 1.03 0.07 0.00 -1.93 0.00 0.00 178.83 178.03 3sak h ALA 37 N 0.88 0.94 0.00 3.38 0.00 -1.15 -3.21 119.26 120.10 3sak h ALA 37 Ca 0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3sak h ALA 37 Cb 1.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3sak h ALA 37 CO 0.11 0.65 1.04 0.41 0.00 0.00 0.00 179.25 181.46 3sak n GLY 38 N -0.57 2.24 0.38 0.00 0.00 -1.15 -4.20 105.19 101.89 3sak n GLY 38 Ca 0.04 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.64 3sak n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3sak n LYS 39 N 3.50 1.53 -1.67 1.61 2.85 -1.22 -4.92 118.16 119.85 3sak n LYS 39 Ca 0.25 -0.77 -0.38 0.00 -1.05 0.00 0.00 58.31 56.35 3sak n LYS 39 Cb 0.26 -1.48 0.05 0.00 -0.65 0.00 0.00 35.03 33.21 3sak n LYS 39 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3sak n GLU 40 N -0.06 1.19 -1.70 -1.58 1.02 -1.26 -4.88 120.64 113.37 3sak n GLU 40 Ca 0.20 0.45 -0.41 0.00 -0.02 0.00 0.00 57.16 57.39 3sak n GLU 40 Cb 0.31 -2.33 0.02 0.00 -0.02 0.00 0.00 31.44 29.41 3sak n GLU 40 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3sak n PRO 41 N -1.05 1.86 0.00 3.49 -0.04 -1.26 -5.22 135.00 132.78 3sak n PRO 41 Ca 0.13 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 3sak n PRO 41 Cb 0.46 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87