#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 -4.90 -3.33 1.97 5.02 -1.26 -2.67 118.16 112.99 3sak n LYS 2 Ca 0.00 0.55 -0.14 0.00 -2.02 0.00 0.00 58.31 56.70 3sak n LYS 2 Cb 0.00 -5.32 0.01 0.00 -0.02 0.00 0.00 35.03 29.70 3sak n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3sak n LYS 3 N -4.57 -1.60 0.00 1.97 4.81 -1.26 -4.94 118.16 112.58 3sak n LYS 3 Ca -0.02 1.32 0.00 0.00 -0.87 0.00 0.00 58.31 58.74 3sak n LYS 3 Cb 0.55 -4.17 0.00 0.00 0.02 0.00 0.00 35.03 31.43 3sak n LYS 3 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3sak n PRO 4 N -1.71 0.00 -2.49 1.64 -0.02 -1.09 -4.48 135.00 126.84 3sak n PRO 4 Ca -0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 3sak n PRO 4 Cb 0.58 -0.96 -0.02 0.00 -0.02 0.00 0.00 33.50 33.08 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 -0.94 3.85 -0.01 2.45 1.43 -1.26 -4.99 118.68 119.21 3sak s LEU 5 Ca 0.00 1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.89 3sak s LEU 5 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3sak s LEU 5 CO 0.00 -1.06 0.87 -1.81 0.23 0.00 0.00 176.35 174.58 3sak s ASP 6 N 2.51 7.24 0.31 2.29 1.01 -1.26 -5.01 116.67 123.76 3sak s ASP 6 Ca 0.53 1.50 -0.29 0.00 0.71 0.00 0.00 52.55 55.00 3sak s ASP 6 Cb -0.14 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 3sak s ASP 6 CO 0.22 -0.18 1.24 -0.83 0.21 0.00 0.00 175.17 175.83 3sak s GLY 7 N 0.80 3.01 0.14 0.21 0.00 -1.26 -4.92 107.32 105.30 3sak s GLY 7 Ca 0.46 1.14 -0.31 0.00 0.00 0.00 0.00 44.72 46.01 3sak s GLY 7 CO 0.25 1.78 1.72 -0.54 0.00 0.00 0.00 173.10 176.32 3sak s GLU 8 N -1.65 4.16 0.05 2.90 2.02 -1.26 -4.98 118.70 119.94 3sak s GLU 8 Ca 0.48 2.50 0.04 0.00 0.02 0.00 0.00 54.97 58.01 3sak s GLU 8 Cb -0.37 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 3sak s GLU 8 CO 0.49 -0.76 -0.04 0.71 0.02 0.00 0.00 175.26 175.68 3sak s TYR 9 N 2.14 2.92 -0.01 1.61 2.02 -1.26 -5.12 117.35 119.64 3sak s TYR 9 Ca 0.76 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 3sak s TYR 9 Cb -0.45 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3sak s TYR 9 CO 0.34 0.43 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.67 3sak s PHE 10 N -1.16 0.24 0.37 2.71 0.40 -1.26 -5.15 117.98 114.12 3sak s PHE 10 Ca 0.21 -0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.44 3sak s PHE 10 Cb -0.11 -0.21 -0.06 0.00 0.51 0.00 0.00 43.02 43.15 3sak s PHE 10 CO 0.13 -0.04 0.69 0.95 0.70 0.00 0.00 175.22 177.65 3sak s THR 11 N 0.25 4.88 -0.11 0.64 -4.23 -1.26 -5.09 115.64 110.73 3sak s THR 11 Ca -0.02 0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 3sak s THR 11 Cb -0.05 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.10 3sak s THR 11 CO -0.01 -0.46 0.26 -0.22 -0.54 0.00 0.00 174.62 173.65 3sak s LEU 12 N -3.79 0.41 -0.10 4.79 2.96 -1.26 -5.13 118.68 116.57 3sak s LEU 12 Ca 0.48 0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 54.69 3sak s LEU 12 Cb -0.10 0.80 -0.02 0.00 0.50 0.00 0.00 46.19 47.36 3sak s LEU 12 CO 0.31 -0.16 0.83 -1.58 -1.32 0.00 0.00 176.35 174.43 3sak s GLN 13 N 1.19 4.40 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.50 3sak s GLN 13 Ca -0.09 1.07 0.01 0.00 0.05 0.00 0.00 55.36 56.40 3sak s GLN 13 Cb -0.10 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.53 3sak s GLN 13 CO -0.08 -0.14 -0.19 0.42 -0.55 0.00 0.00 175.29 174.74 3sak s ILE 14 N 1.47 2.00 0.36 -2.34 1.01 -1.26 -5.11 121.20 117.33 3sak s ILE 14 Ca 0.41 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.91 3sak s ILE 14 Cb -0.18 -1.82 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 3sak s ILE 14 CO 0.18 0.53 1.00 -0.60 0.00 0.00 0.00 174.94 176.04 3sak s ARG 15 N 1.31 4.38 0.00 2.79 3.00 -1.26 -4.80 118.95 124.38 3sak s ARG 15 Ca 0.05 1.41 0.00 0.00 -1.00 0.00 0.00 55.73 56.19 3sak s ARG 15 Cb -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 34.95 32.16 3sak s ARG 15 CO -0.13 0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.66 3sak n GLY 16 N 0.40 -1.88 0.26 8.12 0.00 -1.26 -4.56 105.19 106.27 3sak n GLY 16 Ca 0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.87 -0.95 1.61 2.43 -2.00 -0.82 114.38 115.53 3sak h ARG 17 Ca 0.00 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3sak h ARG 17 Cb 0.00 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 3sak h ARG 17 CO 0.00 0.86 0.59 1.49 -1.51 0.00 0.00 179.97 181.40 3sak h GLU 18 N 0.75 1.28 -0.72 0.20 4.81 -1.99 -0.71 114.58 118.21 3sak h GLU 18 Ca 0.16 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3sak h GLU 18 Cb 0.42 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3sak h GLU 18 CO 0.01 0.88 0.36 -0.09 -0.73 0.00 0.00 179.01 179.44 3sak h ARG 19 N 1.30 1.01 -0.50 1.92 2.43 -1.68 -2.51 114.38 116.36 3sak h ARG 19 Ca 0.34 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3sak h ARG 19 Cb -0.08 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 3sak h ARG 19 CO -0.07 0.77 0.31 0.35 -1.51 0.00 0.00 179.97 179.82 3sak h PHE 20 N 1.01 0.59 -0.93 2.20 3.57 0.31 -1.39 116.94 122.30 3sak h PHE 20 Ca 0.25 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3sak h PHE 20 Cb 0.08 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 3sak h PHE 20 CO 0.01 0.36 0.61 0.93 -2.23 0.00 0.00 178.31 177.99 3sak h GLU 21 N 0.63 1.20 -0.03 1.11 5.08 -1.01 0.38 114.58 121.94 3sak h GLU 21 Ca 0.19 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3sak h GLU 21 Cb -0.03 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 3sak h GLU 21 CO -0.06 0.79 0.02 1.98 -1.00 0.00 0.00 179.01 180.74 3sak h MET 22 N 1.23 0.04 -0.87 2.33 4.05 -1.08 0.16 114.93 120.80 3sak h MET 22 Ca 0.35 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.75 3sak h MET 22 Cb -0.10 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 3sak h MET 22 CO -0.09 0.07 0.46 0.74 0.23 0.00 0.00 176.91 178.32 3sak h PHE 23 N 0.01 1.20 -0.38 1.39 -1.00 -0.66 -1.43 116.94 116.06 3sak h PHE 23 Ca 0.01 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.79 3sak h PHE 23 Cb 0.04 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.18 3sak h PHE 23 CO -0.06 0.84 0.18 -0.09 -1.61 0.00 0.00 178.31 177.56 3sak h ARG 24 N 1.22 0.36 -0.28 1.51 2.43 0.40 0.40 114.38 120.42 3sak h ARG 24 Ca 0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3sak h ARG 24 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3sak h ARG 24 CO -0.05 0.24 0.18 1.49 -1.51 0.00 0.00 179.97 180.32 3sak h GLU 25 N 0.37 0.37 -0.42 0.20 4.81 -0.35 0.27 114.58 119.84 3sak h GLU 25 Ca 0.17 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3sak h GLU 25 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3sak h GLU 25 CO -0.13 0.26 0.25 -0.07 -0.73 0.00 0.00 179.01 178.59 3sak h LEU 26 N 0.37 0.51 -0.03 1.64 3.38 -0.61 0.24 115.31 120.81 3sak h LEU 26 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3sak h LEU 26 Cb -0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3sak h LEU 26 CO -0.02 0.42 0.02 -1.13 0.09 0.00 0.00 178.44 177.82 3sak h ASN 27 N 0.55 0.03 -0.85 -0.43 -0.73 0.24 -0.88 115.58 113.51 3sak h ASN 27 Ca 0.15 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 3sak h ASN 27 Cb 0.01 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 3sak h ASN 27 CO -0.03 0.04 0.49 -0.33 -0.37 0.00 0.00 177.43 177.23 3sak h GLU 28 N 0.02 1.17 0.02 6.67 4.39 -0.16 -0.65 114.58 126.05 3sak h GLU 28 Ca 0.01 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3sak h GLU 28 Cb 0.01 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3sak h GLU 28 CO -0.00 0.84 -0.01 0.00 -1.16 0.00 0.00 179.01 178.68 3sak h ALA 29 N 1.27 -0.03 -0.56 3.43 0.00 -0.12 0.18 119.26 123.43 3sak h ALA 29 Ca 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3sak h ALA 29 Cb -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3sak h ALA 29 CO -0.05 -0.49 0.27 -0.07 0.00 0.00 0.00 179.25 178.90 3sak h LEU 30 N -0.07 0.73 -0.93 0.00 3.38 -0.92 -1.66 115.31 115.84 3sak h LEU 30 Ca -0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3sak h LEU 30 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3sak h LEU 30 CO 0.00 0.66 0.62 -0.33 0.09 0.00 0.00 178.44 179.48 3sak h GLU 31 N 0.76 1.22 -0.39 1.13 5.08 -0.88 0.11 114.58 121.62 3sak h GLU 31 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3sak h GLU 31 Cb 0.12 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3sak h GLU 31 CO -0.02 0.81 0.26 1.25 -1.00 0.00 0.00 179.01 180.30 3sak h LEU 32 N 1.26 0.45 -0.92 1.33 5.85 -0.45 -0.70 115.31 122.13 3sak h LEU 32 Ca 0.34 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3sak h LEU 32 Cb -0.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3sak h LEU 32 CO -0.08 0.32 0.56 0.50 -0.34 0.00 0.00 178.44 179.41 3sak h LYS 33 N 0.53 1.24 -0.94 1.25 3.64 -0.43 -2.02 116.57 119.84 3sak h LYS 33 Ca 0.14 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3sak h LYS 33 Cb -0.06 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.45 3sak h LYS 33 CO -0.03 0.86 0.60 -0.44 -2.27 0.00 0.00 179.45 178.17 3sak h ASP 34 N 1.26 1.10 0.39 4.20 3.32 0.11 -1.08 116.42 125.72 3sak h ASP 34 Ca 0.33 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3sak h ASP 34 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3sak h ASP 34 CO -0.06 0.82 -0.25 0.00 -1.72 0.00 0.00 179.24 178.03 3sak h ALA 35 N 1.33 1.37 0.00 3.45 0.00 -0.47 -1.89 119.26 123.05 3sak h ALA 35 Ca 0.34 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3sak h ALA 35 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3sak h ALA 35 CO -0.07 0.31 -0.46 0.37 0.00 0.00 0.00 179.25 179.40 3sak h GLN 36 N 0.00 0.00 0.00 0.00 4.15 -0.64 -2.65 115.11 115.97 3sak h GLN 36 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3sak h GLN 36 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3sak h GLN 36 CO 0.03 0.46 0.00 0.00 -1.93 0.00 0.00 178.83 177.39 3sak n ALA 37 N -2.30 1.63 1.37 3.38 0.00 -0.71 -2.18 120.51 121.69 3sak n ALA 37 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.42 3sak n ALA 37 Cb 0.58 -1.19 0.15 0.00 0.00 0.00 0.00 19.45 18.99 3sak n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sak n GLY 38 N -0.29 -0.69 3.74 0.00 0.00 -1.00 -4.75 105.19 102.20 3sak n GLY 38 Ca 0.04 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 4.55 0.60 1.61 2.20 -0.93 -5.02 119.74 120.76 3sak s LYS 39 Ca 0.08 1.17 -0.19 0.00 -0.36 0.00 0.00 55.97 56.66 3sak s LYS 39 Cb 0.03 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3sak s LYS 39 CO 0.06 0.26 1.14 0.39 -0.36 0.00 0.00 175.35 176.85 3sak n GLU 40 N 2.81 1.12 -0.45 4.03 1.02 -1.26 -4.95 120.64 122.96 3sak n GLU 40 Ca -0.01 0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 57.28 3sak n GLU 40 Cb 0.50 -2.35 0.23 0.00 -0.02 0.00 0.00 31.44 29.79 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 -1.27 -3.03 0.00 3.49 -0.04 -1.26 -5.19 135.00 127.69 3sak n PRO 41 Ca 0.14 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 3sak n PRO 41 Cb 0.47 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87