#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 -1.43 1.97 4.01 -1.26 -4.76 118.16 116.69 3sak n LYS 2 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 3sak n LYS 2 Cb 0.00 -0.54 -0.01 0.00 -0.51 0.00 0.00 35.03 33.97 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3sak n LYS 3 N 0.00 -3.06 -0.11 1.97 5.02 -1.26 -4.93 118.16 115.79 3sak n LYS 3 Ca 0.00 2.40 -0.02 0.00 -2.02 0.00 0.00 58.31 58.67 3sak n LYS 3 Cb 0.00 -3.18 0.01 0.00 -0.02 0.00 0.00 35.03 31.84 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 -2.72 -0.29 -3.04 1.97 -0.04 -1.26 -4.95 135.00 124.67 3sak n PRO 4 Ca -0.01 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 3sak n PRO 4 Cb 0.39 -0.09 -0.06 0.00 -0.04 0.00 0.00 33.50 33.71 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 4.13 0.81 1.53 1.43 -1.26 -5.02 118.68 120.30 3sak s LEU 5 Ca 0.05 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 3sak s LEU 5 Cb -0.00 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.37 3sak s LEU 5 CO 0.03 -0.56 1.09 -1.81 0.23 0.00 0.00 176.35 175.33 3sak s ASP 6 N 1.67 4.16 0.34 2.29 1.01 -1.26 -4.89 116.67 119.99 3sak s ASP 6 Ca 0.28 1.72 -0.28 0.00 0.71 0.00 0.00 52.55 54.97 3sak s ASP 6 Cb -0.14 -2.41 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 3sak s ASP 6 CO 0.13 -2.24 1.37 0.61 0.21 0.00 0.00 175.17 175.25 3sak n GLY 7 N -1.18 0.81 3.64 0.21 0.00 -1.26 -4.80 105.19 102.61 3sak n GLY 7 Ca 0.08 0.34 -0.47 0.00 0.00 0.00 0.00 46.02 45.98 3sak n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3sak n GLU 8 N 0.80 1.78 -3.31 1.61 1.02 -1.26 -4.92 120.64 116.36 3sak n GLU 8 Ca 0.05 0.64 -0.36 0.00 -0.02 0.00 0.00 57.16 57.47 3sak n GLU 8 Cb 0.36 -2.31 -0.06 0.00 -0.02 0.00 0.00 31.44 29.41 3sak n GLU 8 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3sak s TYR 9 N 0.39 3.64 0.01 -0.32 1.51 -1.26 -5.08 117.35 116.25 3sak s TYR 9 Ca 0.76 1.14 0.03 0.00 -1.01 0.00 0.00 57.07 57.99 3sak s TYR 9 Cb -0.75 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 38.66 3sak s TYR 9 CO 0.45 0.44 -0.11 -0.06 -1.11 0.00 0.00 175.55 175.16 3sak s PHE 10 N -1.42 0.94 0.22 2.71 0.08 -1.26 -5.14 117.98 114.11 3sak s PHE 10 Ca 0.37 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 3sak s PHE 10 Cb -0.16 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 3sak s PHE 10 CO 0.19 -0.01 0.46 0.95 -0.10 0.00 0.00 175.22 176.71 3sak s THR 11 N -0.57 5.11 -0.09 0.64 -4.23 -1.26 -5.09 115.64 110.15 3sak s THR 11 Ca 0.01 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 3sak s THR 11 Cb -0.06 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.12 3sak s THR 11 CO 0.00 -0.18 0.21 -0.22 -0.54 0.00 0.00 174.62 173.89 3sak s LEU 12 N -3.26 0.54 -0.08 4.79 2.96 -1.26 -5.12 118.68 117.25 3sak s LEU 12 Ca 0.41 0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 54.50 3sak s LEU 12 Cb -0.11 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.18 3sak s LEU 12 CO 0.28 -0.16 0.90 -1.58 -1.32 0.00 0.00 176.35 174.48 3sak s GLN 13 N 1.18 4.44 -0.18 1.98 0.74 -1.26 -5.02 119.66 121.54 3sak s GLN 13 Ca -0.09 1.22 0.01 0.00 0.05 0.00 0.00 55.36 56.55 3sak s GLN 13 Cb -0.10 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.52 3sak s GLN 13 CO -0.07 -0.16 -0.20 0.42 -0.55 0.00 0.00 175.29 174.73 3sak s ILE 14 N 1.48 2.07 0.43 -2.34 1.01 -1.26 -5.11 121.20 117.48 3sak s ILE 14 Ca 0.45 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3sak s ILE 14 Cb -0.19 -1.86 -0.10 0.00 0.01 0.00 0.00 42.46 40.32 3sak s ILE 14 CO 0.20 0.54 1.00 -0.60 0.00 0.00 0.00 174.94 176.08 3sak s ARG 15 N 1.29 4.12 0.00 2.79 3.52 -1.26 -4.78 118.95 124.63 3sak s ARG 15 Ca 0.05 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.96 3sak s ARG 15 Cb -0.13 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 3sak s ARG 15 CO -0.13 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 3sak n GLY 16 N -0.15 -3.08 0.38 8.12 0.00 -1.26 -4.49 105.19 104.71 3sak n GLY 16 Ca 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 1.31 -0.41 1.61 2.43 -2.00 -1.74 114.38 115.57 3sak h ARG 17 Ca 0.00 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3sak h ARG 17 Cb 0.00 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 3sak h ARG 17 CO 0.00 0.88 0.22 1.49 -1.51 0.00 0.00 179.97 181.05 3sak h GLU 18 N 1.34 0.43 -0.99 0.20 4.81 -1.98 -1.38 114.58 117.01 3sak h GLU 18 Ca 0.36 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3sak h GLU 18 Cb -0.12 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.11 3sak h GLU 18 CO -0.07 0.28 0.65 -0.09 -0.73 0.00 0.00 179.01 179.05 3sak h ARG 19 N 0.44 1.30 -0.17 1.92 2.43 -1.62 -1.88 114.38 116.80 3sak h ARG 19 Ca 0.17 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3sak h ARG 19 Cb 0.06 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3sak h ARG 19 CO -0.11 0.87 0.08 0.35 -1.51 0.00 0.00 179.97 179.65 3sak h PHE 20 N 1.34 0.15 -0.91 2.20 3.57 -0.43 0.43 116.94 123.29 3sak h PHE 20 Ca 0.36 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.89 3sak h PHE 20 Cb -0.15 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 3sak h PHE 20 CO 0.00 0.09 0.60 0.93 -2.23 0.00 0.00 178.31 177.69 3sak h GLU 21 N 0.18 1.16 0.01 1.11 5.08 -0.94 0.39 114.58 121.57 3sak h GLU 21 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3sak h GLU 21 Cb 0.02 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 21 CO -0.05 0.76 -0.00 1.98 -1.00 0.00 0.00 179.01 180.70 3sak h MET 22 N 1.19 -0.01 -0.89 2.33 4.05 -0.54 -1.48 114.93 119.57 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 -0.07 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 3sak h MET 22 CO -0.10 0.17 0.47 0.74 0.23 0.00 0.00 176.91 178.42 3sak h PHE 23 N -0.19 1.24 -0.65 1.39 -1.00 0.36 -2.25 116.94 115.85 3sak h PHE 23 Ca -0.00 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3sak h PHE 23 Cb 0.18 -0.39 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 3sak h PHE 23 CO -0.02 0.87 0.41 -0.09 -1.61 0.00 0.00 178.31 177.87 3sak h ARG 24 N 1.25 0.80 -0.32 1.51 2.43 0.03 0.23 114.38 120.31 3sak h ARG 24 Ca 0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3sak h ARG 24 Cb 0.05 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3sak h ARG 24 CO -0.05 0.53 0.21 1.49 -1.51 0.00 0.00 179.97 180.64 3sak h GLU 25 N 0.82 0.42 -0.85 0.20 4.81 -0.72 0.38 114.58 119.64 3sak h GLU 25 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3sak h GLU 25 Cb -0.02 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 3sak h GLU 25 CO -0.09 0.28 0.42 -0.07 -0.73 0.00 0.00 179.01 178.82 3sak h LEU 26 N 0.43 1.10 0.60 1.64 3.38 -0.88 0.40 115.31 121.98 3sak h LEU 26 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3sak h LEU 26 Cb -0.04 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.43 3sak h LEU 26 CO -0.02 0.92 -0.29 -1.13 0.09 0.00 0.00 178.44 178.00 3sak h ASN 27 N 1.20 -0.69 -0.98 -0.43 -0.73 0.37 -0.80 115.58 113.53 3sak h ASN 27 Ca 0.29 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3sak h ASN 27 Cb 0.10 0.18 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 3sak h ASN 27 CO -0.04 -0.44 0.61 -0.33 -0.37 0.00 0.00 177.43 176.87 3sak h GLU 28 N -0.89 1.31 -0.26 6.67 5.08 -0.11 -0.96 114.58 125.42 3sak h GLU 28 Ca -0.08 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3sak h GLU 28 Cb 0.65 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3sak h GLU 28 CO 0.14 0.89 0.10 0.00 -1.00 0.00 0.00 179.01 179.14 3sak h ALA 29 N 1.34 0.30 -0.59 3.43 0.00 0.01 0.86 119.26 124.61 3sak h ALA 29 Ca 0.35 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3sak h ALA 29 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3sak h ALA 29 CO -0.07 -0.30 0.17 -0.07 0.00 0.00 0.00 179.25 178.98 3sak h LEU 30 N 0.23 0.88 -1.02 0.00 3.38 -0.69 -2.50 115.31 115.60 3sak h LEU 30 Ca 0.11 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3sak h LEU 30 Cb 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3sak h LEU 30 CO -0.10 0.86 0.64 -0.33 0.09 0.00 0.00 178.44 179.60 3sak h GLU 31 N 0.85 1.29 -0.19 1.13 5.08 -0.57 -0.30 114.58 121.86 3sak h GLU 31 Ca 0.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3sak h GLU 31 Cb 0.31 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3sak h GLU 31 CO -0.00 0.87 0.12 1.25 -1.00 0.00 0.00 179.01 180.24 3sak h LEU 32 N 1.33 0.23 -0.92 1.33 5.85 -0.48 -0.36 115.31 122.30 3sak h LEU 32 Ca 0.36 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3sak h LEU 32 Cb -0.14 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3sak h LEU 32 CO -0.07 0.21 0.57 0.50 -0.34 0.00 0.00 178.44 179.31 3sak h LYS 33 N 0.24 1.23 -0.99 1.25 3.64 -1.01 -1.75 116.57 119.17 3sak h LYS 33 Ca 0.07 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3sak h LYS 33 Cb 0.02 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 3sak h LYS 33 CO -0.01 0.85 0.66 -0.44 -2.27 0.00 0.00 179.45 178.23 3sak h ASP 34 N 1.26 1.13 -0.84 4.20 5.19 -0.39 0.74 116.42 127.71 3sak h ASP 34 Ca 0.33 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 3sak h ASP 34 Cb -0.09 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.10 3sak h ASP 34 CO -0.07 0.82 0.44 0.00 -3.12 0.00 0.00 179.24 177.31 3sak h ALA 35 N 1.39 1.08 0.00 3.45 0.00 -0.20 0.62 119.26 125.60 3sak h ALA 35 Ca 0.37 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 3sak h ALA 35 Cb -0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 3sak h ALA 35 CO -0.08 0.61 -0.87 1.96 0.00 0.00 0.00 179.25 180.86 3sak h GLN 36 N 1.18 0.00 0.00 0.00 4.20 -0.92 -2.90 115.11 116.67 3sak h GLN 36 Ca 0.29 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 3sak h GLN 36 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3sak h GLN 36 CO -0.04 0.87 -0.27 0.00 -0.67 0.00 0.00 178.83 178.72 3sak h ALA 37 N 1.13 1.53 0.00 3.87 0.00 0.13 0.13 119.26 126.05 3sak h ALA 37 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3sak h ALA 37 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3sak h ALA 37 CO 0.11 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3sak n GLY 38 N -0.73 -0.45 3.74 0.00 0.00 0.13 -4.70 105.19 103.17 3sak n GLY 38 Ca -0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.73 0.65 1.61 2.20 0.46 -5.00 119.74 122.40 3sak s LYS 39 Ca 0.09 1.53 -0.17 0.00 -0.36 0.00 0.00 55.97 57.05 3sak s LYS 39 Cb 0.04 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3sak s LYS 39 CO 0.07 0.28 1.11 0.39 -0.36 0.00 0.00 175.35 176.84 3sak n GLU 40 N 2.23 0.87 -0.82 4.03 1.02 -1.26 -4.93 120.64 121.79 3sak n GLU 40 Ca 0.01 0.35 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 3sak n GLU 40 Cb 0.48 -2.34 0.14 0.00 -0.02 0.00 0.00 31.44 29.70 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 -1.64 -0.26 -0.87 3.49 -0.04 -1.26 -5.16 135.00 129.26 3sak n PRO 41 Ca 0.15 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3sak n PRO 41 Cb 0.48 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87