#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 -3.04 -0.90 1.97 5.02 -1.26 -3.94 118.16 116.01 3sak n LYS 2 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3sak n LYS 2 Cb 0.00 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3sak n LYS 3 N -4.30 0.00 0.00 1.97 5.02 -1.26 -5.10 118.16 114.49 3sak n LYS 3 Ca -0.25 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3sak n LYS 3 Cb 0.66 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 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 -0.60 1.22 -2.63 1.97 -0.02 -1.25 -4.82 135.00 128.87 3sak n PRO 4 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3sak n PRO 4 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.75 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 0.00 3.58 0.00 2.45 1.43 -1.26 -4.91 118.68 119.96 3sak s LEU 5 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3sak s LEU 5 Cb 0.00 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.08 3sak s LEU 5 CO 0.00 -1.41 0.00 0.47 0.23 0.00 0.00 176.35 175.64 3sak n ASP 6 N 8.21 0.00 -4.77 2.29 8.00 -1.26 -4.96 116.55 124.06 3sak n ASP 6 Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 3sak n ASP 6 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.00 2.67 0.37 0.44 0.00 -1.26 -4.96 107.32 104.59 3sak s GLY 7 Ca 0.00 0.85 -0.28 0.00 0.00 0.00 0.00 44.72 45.29 3sak s GLY 7 CO 0.00 1.23 1.45 -0.54 0.00 0.00 0.00 173.10 175.24 3sak s GLU 8 N -3.11 4.15 -0.02 2.90 8.01 -1.26 -4.98 118.70 124.38 3sak s GLU 8 Ca 0.70 2.50 -0.10 0.00 0.01 0.00 0.00 54.97 58.08 3sak s GLU 8 Cb -0.25 -2.98 -0.05 0.00 -4.31 0.00 0.00 34.13 26.54 3sak s GLU 8 CO 0.29 -0.47 0.30 0.71 0.01 0.00 0.00 175.26 176.09 3sak s TYR 9 N -1.13 3.64 0.01 1.61 1.51 -1.26 -5.10 117.35 116.64 3sak s TYR 9 Ca 0.52 0.74 0.03 0.00 -1.01 0.00 0.00 57.07 57.35 3sak s TYR 9 Cb -0.45 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.28 3sak s TYR 9 CO 0.61 0.65 -0.09 -0.06 -1.11 0.00 0.00 175.55 175.55 3sak s PHE 10 N -1.15 0.78 0.33 2.71 0.08 -1.26 -5.15 117.98 114.32 3sak s PHE 10 Ca 0.23 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.98 3sak s PHE 10 Cb -0.14 -0.49 -0.06 0.00 -0.57 0.00 0.00 43.02 41.77 3sak s PHE 10 CO 0.12 -0.02 0.63 0.95 -0.10 0.00 0.00 175.22 176.80 3sak s THR 11 N -0.49 4.94 -0.13 0.64 -4.23 -1.26 -5.09 115.64 110.02 3sak s THR 11 Ca 0.01 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.68 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 0.00 -0.40 0.31 -0.22 -0.54 0.00 0.00 174.62 173.77 3sak s LEU 12 N -3.68 0.37 -0.10 4.79 2.96 -1.26 -5.13 118.68 116.62 3sak s LEU 12 Ca 0.46 0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 54.78 3sak s LEU 12 Cb -0.11 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.55 3sak s LEU 12 CO 0.31 -0.16 0.77 -1.58 -1.32 0.00 0.00 176.35 174.37 3sak s GLN 13 N 1.03 4.39 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.32 3sak s GLN 13 Ca -0.07 0.98 0.01 0.00 0.05 0.00 0.00 55.36 56.33 3sak s GLN 13 Cb -0.08 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.55 3sak s GLN 13 CO -0.08 -0.10 -0.20 0.42 -0.55 0.00 0.00 175.29 174.79 3sak s ILE 14 N 1.34 2.02 0.44 -2.34 1.01 -1.26 -5.12 121.20 117.29 3sak s ILE 14 Ca 0.39 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 3sak s ILE 14 Cb -0.18 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.37 3sak s ILE 14 CO 0.17 0.53 1.00 -0.60 0.00 0.00 0.00 174.94 176.04 3sak s ARG 15 N 1.30 4.08 0.00 2.79 3.52 -1.26 -4.76 118.95 124.62 3sak s ARG 15 Ca 0.05 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 3sak s ARG 15 Cb -0.13 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3sak s ARG 15 CO -0.13 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 3sak n GLY 16 N -0.25 -3.12 0.32 8.12 0.00 -1.26 -4.48 105.19 104.53 3sak n GLY 16 Ca 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 1.10 -0.97 1.61 2.43 -2.00 -1.46 114.38 115.09 3sak h ARG 17 Ca 0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3sak h ARG 17 Cb 0.00 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.27 3sak h ARG 17 CO 0.00 0.78 0.64 1.05 -1.51 0.00 0.00 179.97 180.93 3sak h GLU 18 N 1.11 1.27 -0.85 0.20 4.11 -1.98 -0.81 114.58 117.64 3sak h GLU 18 Ca 0.29 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.61 3sak h GLU 18 Cb -0.03 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 28.89 3sak h GLU 18 CO -0.05 0.84 0.40 -0.09 0.07 0.00 0.00 179.01 180.18 3sak h ARG 19 N 1.31 1.23 -0.02 1.06 2.43 -1.59 -0.33 114.38 118.47 3sak h ARG 19 Ca 0.35 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3sak h ARG 19 Cb -0.15 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.18 3sak h ARG 19 CO -0.08 0.95 0.02 0.35 -1.51 0.00 0.00 179.97 179.70 3sak h PHE 20 N 1.21 0.03 -0.96 2.20 3.57 -0.19 0.47 116.94 123.27 3sak h PHE 20 Ca 0.29 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.80 3sak h PHE 20 Cb 0.13 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3sak h PHE 20 CO 0.02 0.02 0.64 0.93 -2.23 0.00 0.00 178.31 177.68 3sak h GLU 21 N 0.03 1.25 -0.00 1.11 5.08 -0.86 0.72 114.58 121.91 3sak h GLU 21 Ca 0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3sak h GLU 21 Cb -0.00 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 3sak h GLU 21 CO -0.00 0.83 0.00 1.98 -1.00 0.00 0.00 179.01 180.82 3sak h MET 22 N 1.29 0.00 -0.78 2.33 4.05 -0.35 -0.23 114.93 121.24 3sak h MET 22 Ca 0.36 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.73 3sak h MET 22 Cb -0.13 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 3sak h MET 22 CO -0.08 0.16 0.31 0.74 0.23 0.00 0.00 176.91 178.28 3sak h PHE 23 N -0.16 1.18 -0.60 1.39 -1.00 0.50 -1.81 116.94 116.44 3sak h PHE 23 Ca 0.00 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.70 3sak h PHE 23 Cb 0.16 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 3sak h PHE 23 CO -0.02 0.90 0.39 -0.09 -1.61 0.00 0.00 178.31 177.88 3sak h ARG 24 N 1.13 0.77 -0.30 1.51 2.43 0.69 0.38 114.38 120.99 3sak h ARG 24 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3sak h ARG 24 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3sak h ARG 24 CO -0.02 0.51 0.20 1.49 -1.51 0.00 0.00 179.97 180.64 3sak h GLU 25 N 0.80 0.39 -0.51 0.20 4.81 -0.58 0.25 114.58 119.94 3sak h GLU 25 Ca 0.22 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3sak h GLU 25 Cb -0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3sak h GLU 25 CO -0.06 0.26 0.20 -0.07 -0.73 0.00 0.00 179.01 178.62 3sak h LEU 26 N 0.41 0.71 0.00 1.64 3.38 -0.76 0.19 115.31 120.88 3sak h LEU 26 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3sak h LEU 26 Cb -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3sak h LEU 26 CO -0.02 0.69 -0.00 -1.13 0.09 0.00 0.00 178.44 178.07 3sak h ASN 27 N 0.69 -0.00 -0.84 -0.43 -0.73 0.21 -1.35 115.58 113.13 3sak h ASN 27 Ca 0.17 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 3sak h ASN 27 Cb 0.21 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.76 3sak h ASN 27 CO -0.01 0.00 0.40 -0.33 -0.37 0.00 0.00 177.43 177.12 3sak h GLU 28 N -0.00 1.22 -0.15 6.67 5.08 -0.30 -1.91 114.58 125.18 3sak h GLU 28 Ca -0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3sak h GLU 28 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3sak h GLU 28 CO 0.00 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 179.00 3sak h ALA 29 N 1.22 0.16 -0.63 3.43 0.00 -0.17 0.16 119.26 123.43 3sak h ALA 29 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3sak h ALA 29 Cb 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3sak h ALA 29 CO -0.03 -0.39 0.40 -0.07 0.00 0.00 0.00 179.25 179.15 3sak h LEU 30 N 0.12 0.75 -0.98 0.00 3.38 -1.01 -1.05 115.31 116.52 3sak h LEU 30 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3sak h LEU 30 Cb 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3sak h LEU 30 CO -0.07 0.57 0.62 -0.33 0.09 0.00 0.00 178.44 179.33 3sak h GLU 31 N 0.86 1.31 0.26 1.13 5.08 -0.77 0.20 114.58 122.65 3sak h GLU 31 Ca 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3sak h GLU 31 Cb -0.05 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.92 3sak h GLU 31 CO -0.05 0.89 -0.12 1.25 -1.00 0.00 0.00 179.01 179.98 3sak h LEU 32 N 1.34 -0.29 -0.71 1.33 6.46 0.09 0.44 115.31 123.97 3sak h LEU 32 Ca 0.36 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 3sak h LEU 32 Cb -0.11 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 3sak h LEU 32 CO -0.07 -0.08 0.47 0.50 -0.62 0.00 0.00 178.44 178.64 3sak h LYS 33 N -0.49 0.94 -1.00 1.25 3.64 -0.93 -1.78 116.57 118.20 3sak h LYS 33 Ca -0.04 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3sak h LYS 33 Cb 0.37 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3sak h LYS 33 CO 0.06 0.62 0.65 -0.44 -2.27 0.00 0.00 179.45 178.07 3sak h ASP 34 N 0.96 1.15 -0.86 4.20 3.32 -0.43 0.32 116.42 125.08 3sak h ASP 34 Ca 0.26 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3sak h ASP 34 Cb -0.11 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.11 3sak h ASP 34 CO -0.06 0.84 0.47 0.00 -1.72 0.00 0.00 179.24 178.77 3sak h ALA 35 N 1.37 1.11 0.00 3.45 0.00 -0.07 -1.13 119.26 123.98 3sak h ALA 35 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3sak h ALA 35 Cb -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.30 3sak h ALA 35 CO -0.08 0.62 -0.16 1.04 0.00 0.00 0.00 179.25 180.68 3sak n GLN 36 N -4.35 0.10 -0.11 0.00 6.02 -0.74 -3.57 117.38 114.73 3sak n GLN 36 Ca 0.09 0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 3sak n GLN 36 Cb 0.10 -1.60 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 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 2.83 0.58 0.00 -1.58 0.00 0.92 -3.24 119.26 118.77 3sak h ALA 37 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 3sak h ALA 37 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3sak h ALA 37 CO 0.00 0.68 1.31 0.41 0.00 0.00 0.00 179.25 181.64 3sak n GLY 38 N 0.15 3.12 0.34 0.00 0.00 -1.12 -4.33 105.19 103.34 3sak n GLY 38 Ca -0.02 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 3.13 1.41 -1.56 1.61 2.85 -1.22 -4.91 118.16 119.46 3sak n LYS 39 Ca 0.48 -0.68 -0.37 0.00 -1.05 0.00 0.00 58.31 56.68 3sak n LYS 39 Cb 0.51 -1.49 0.07 0.00 -0.65 0.00 0.00 35.03 33.47 3sak n LYS 39 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3sak n GLU 40 N -0.20 0.80 -1.65 -1.58 0.28 -1.26 -4.85 120.64 112.18 3sak n GLU 40 Ca 0.19 0.32 -0.44 0.00 -0.16 0.00 0.00 57.16 57.08 3sak n GLU 40 Cb 0.30 -2.25 -0.01 0.00 1.43 0.00 0.00 31.44 30.90 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 -1.45 1.77 0.00 3.44 -0.01 -1.26 -5.22 135.00 132.26 3sak n PRO 41 Ca 0.14 0.62 0.00 0.00 -0.01 0.00 0.00 63.50 64.25 3sak n PRO 41 Cb 0.48 -2.13 0.00 0.00 -0.01 0.00 0.00 33.50 31.84 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90