#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 -3.31 1.64 4.81 -1.26 -4.74 118.16 115.30 3sak n LYS 2 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 3sak n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3sak n LYS 2 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3sak n LYS 3 N 0.00 -1.47 -1.94 1.64 4.81 -1.26 -4.87 118.16 115.07 3sak n LYS 3 Ca 0.00 1.28 -0.41 0.00 -0.87 0.00 0.00 58.31 58.31 3sak n LYS 3 Cb 0.00 -4.48 -0.01 0.00 0.02 0.00 0.00 35.03 30.56 3sak n LYS 3 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3sak s PRO 4 N -3.62 4.22 -1.52 1.64 0.05 -1.26 -4.88 135.00 129.63 3sak s PRO 4 Ca 0.02 2.41 -0.11 0.00 0.05 0.00 0.00 61.00 63.37 3sak s PRO 4 Cb -0.00 -3.03 -0.01 0.00 0.05 0.00 0.00 34.50 31.51 3sak s PRO 4 CO 0.80 -0.40 2.58 1.28 0.05 0.00 0.00 177.00 181.32 3sak n LEU 5 N 0.93 7.86 0.00 -3.56 4.77 -1.26 -4.88 117.00 120.86 3sak n LEU 5 Ca 0.02 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 3sak n LEU 5 Cb 0.40 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 3sak n LEU 5 CO 0.62 1.65 0.00 0.47 -1.33 0.00 0.00 177.39 178.80 3sak n ASP 6 N 4.50 0.00 -4.76 -1.43 8.00 -1.26 -4.95 116.55 116.65 3sak n ASP 6 Ca 0.65 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.79 3sak n ASP 6 Cb 0.30 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 2.75 0.37 0.44 0.00 -1.26 -4.93 107.32 104.69 3sak s GLY 7 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 44.72 45.43 3sak s GLY 7 CO 0.00 1.41 1.48 -0.54 0.00 0.00 0.00 173.10 175.45 3sak s GLU 8 N -3.10 4.12 0.04 2.90 8.01 -1.26 -4.98 118.70 124.43 3sak s GLU 8 Ca 0.72 2.55 -0.11 0.00 0.01 0.00 0.00 54.97 58.14 3sak s GLU 8 Cb -0.30 -2.97 -0.06 0.00 -4.31 0.00 0.00 34.13 26.49 3sak s GLU 8 CO 0.34 -0.52 0.39 0.71 0.01 0.00 0.00 175.26 176.19 3sak s TYR 9 N -1.12 3.64 -0.01 1.61 1.51 -1.26 -5.09 117.35 116.63 3sak s TYR 9 Ca 0.53 0.85 0.02 0.00 -1.01 0.00 0.00 57.07 57.45 3sak s TYR 9 Cb -0.46 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.19 3sak s TYR 9 CO 0.63 0.58 -0.05 -0.06 -1.11 0.00 0.00 175.55 175.53 3sak s PHE 10 N -1.26 0.46 0.30 2.71 0.08 -1.26 -5.15 117.98 113.86 3sak s PHE 10 Ca 0.29 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.16 3sak s PHE 10 Cb -0.15 -0.30 -0.06 0.00 -0.57 0.00 0.00 43.02 41.93 3sak s PHE 10 CO 0.16 -0.01 0.62 0.95 -0.10 0.00 0.00 175.22 176.83 3sak s THR 11 N -0.07 4.90 -0.12 0.64 -4.23 -1.26 -5.09 115.64 110.41 3sak s THR 11 Ca 0.01 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 3sak s THR 11 Cb -0.02 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.18 3sak s THR 11 CO -0.00 -0.28 0.28 -0.22 -0.54 0.00 0.00 174.62 173.86 3sak s LEU 12 N -3.33 0.31 -0.05 4.79 2.96 -1.26 -5.13 118.68 116.97 3sak s LEU 12 Ca 0.48 0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 54.73 3sak s LEU 12 Cb -0.11 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.42 3sak s LEU 12 CO 0.26 -0.17 0.83 -1.58 -1.32 0.00 0.00 176.35 174.37 3sak s GLN 13 N 1.27 4.47 -0.17 1.98 0.74 -1.26 -5.04 119.66 121.65 3sak s GLN 13 Ca -0.09 1.12 0.01 0.00 0.05 0.00 0.00 55.36 56.45 3sak s GLN 13 Cb -0.10 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.57 3sak s GLN 13 CO -0.09 -0.03 -0.19 0.42 -0.55 0.00 0.00 175.29 174.85 3sak s ILE 14 N 1.04 1.97 0.29 -2.34 1.01 -1.26 -5.11 121.20 116.80 3sak s ILE 14 Ca 0.44 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 3sak s ILE 14 Cb -0.19 -1.79 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 3sak s ILE 14 CO 0.21 0.52 0.99 -0.60 0.00 0.00 0.00 174.94 176.07 3sak s ARG 15 N 1.33 4.66 0.00 2.79 3.52 -1.26 -4.75 118.95 125.24 3sak s ARG 15 Ca 0.05 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 3sak s ARG 15 Cb -0.13 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3sak s ARG 15 CO -0.13 0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 3sak n GLY 16 N 1.05 -1.62 0.30 8.12 0.00 -1.26 -4.50 105.19 107.27 3sak n GLY 16 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 1.06 -0.44 1.61 2.43 -1.99 -1.62 114.38 115.42 3sak h ARG 17 Ca 0.00 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3sak h ARG 17 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3sak h ARG 17 CO 0.00 1.08 0.29 1.49 -1.51 0.00 0.00 179.97 181.32 3sak h GLU 18 N 0.94 0.58 -0.76 0.20 4.81 -1.99 0.20 114.58 118.56 3sak h GLU 18 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3sak h GLU 18 Cb 0.65 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3sak h GLU 18 CO 0.05 0.38 0.49 -0.09 -0.73 0.00 0.00 179.01 179.10 3sak h ARG 19 N 0.59 1.01 -0.01 1.92 2.43 -1.74 0.12 114.38 118.69 3sak h ARG 19 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3sak h ARG 19 Cb -0.07 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 3sak h ARG 19 CO -0.03 0.68 0.01 0.35 -1.51 0.00 0.00 179.97 179.47 3sak h PHE 20 N 1.03 0.02 -0.84 2.20 3.57 -0.47 0.48 116.94 122.92 3sak h PHE 20 Ca 0.28 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3sak h PHE 20 Cb -0.09 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3sak h PHE 20 CO -0.02 0.01 0.56 0.93 -2.23 0.00 0.00 178.31 177.56 3sak h GLU 21 N 0.02 1.11 0.00 1.11 5.08 -0.53 0.56 114.58 121.93 3sak h GLU 21 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3sak h GLU 21 Cb -0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3sak h GLU 21 CO -0.00 0.74 -0.00 1.98 -1.00 0.00 0.00 179.01 180.72 3sak h MET 22 N 1.15 -0.00 -0.68 2.33 4.05 -0.16 -0.50 114.93 121.11 3sak h MET 22 Ca 0.31 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 3sak h MET 22 Cb -0.13 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 3sak h MET 22 CO -0.07 0.17 0.31 0.74 0.23 0.00 0.00 176.91 178.29 3sak h PHE 23 N -0.17 1.01 -0.66 1.39 -1.00 0.38 -2.10 116.94 115.79 3sak h PHE 23 Ca -0.00 -0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.75 3sak h PHE 23 Cb 0.17 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 3sak h PHE 23 CO -0.02 0.76 0.41 -0.09 -1.61 0.00 0.00 178.31 177.76 3sak h ARG 24 N 0.96 0.78 -0.25 1.51 2.43 0.33 0.49 114.38 120.64 3sak h ARG 24 Ca 0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3sak h ARG 24 Cb 0.16 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3sak h ARG 24 CO -0.03 0.52 0.16 1.49 -1.51 0.00 0.00 179.97 180.61 3sak h GLU 25 N 0.81 0.33 -0.65 0.20 4.81 -0.64 -0.36 114.58 119.08 3sak h GLU 25 Ca 0.26 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3sak h GLU 25 Cb 0.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3sak h GLU 25 CO -0.10 0.22 0.32 -0.07 -0.73 0.00 0.00 179.01 178.65 3sak h LEU 26 N 0.34 0.84 -0.00 1.64 3.38 -0.81 0.14 115.31 120.83 3sak h LEU 26 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 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 0.72 -0.00 -1.13 0.09 0.00 0.00 178.44 178.10 3sak h ASN 27 N 0.89 -0.01 -0.86 -0.43 -0.73 -0.51 -0.79 115.58 113.14 3sak h ASN 27 Ca 0.22 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 3sak h ASN 27 Cb 0.10 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 3sak h ASN 27 CO -0.03 -0.00 0.43 -0.33 -0.37 0.00 0.00 177.43 177.12 3sak h GLU 28 N -0.00 1.24 -0.14 6.67 5.08 -0.80 -1.48 114.58 125.13 3sak h GLU 28 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3sak h GLU 28 Cb 0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3sak h GLU 28 CO -0.00 0.94 0.10 0.00 -1.00 0.00 0.00 179.01 179.04 3sak h ALA 29 N 1.23 0.18 -0.61 3.43 0.00 -0.25 0.15 119.26 123.39 3sak h ALA 29 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3sak h ALA 29 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3sak h ALA 29 CO -0.04 -0.33 0.34 -0.07 0.00 0.00 0.00 179.25 179.15 3sak h LEU 30 N 0.19 0.76 -0.79 0.00 3.38 -0.89 -0.55 115.31 117.42 3sak h LEU 30 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3sak h LEU 30 Cb -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3sak h LEU 30 CO -0.01 0.62 0.51 -0.33 0.09 0.00 0.00 178.44 179.32 3sak h GLU 31 N 0.83 1.05 -0.09 1.13 5.08 -0.83 0.13 114.58 121.88 3sak h GLU 31 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3sak h GLU 31 Cb 0.03 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3sak h GLU 31 CO -0.04 0.71 0.06 1.25 -1.00 0.00 0.00 179.01 179.99 3sak h LEU 32 N 1.07 0.10 -1.11 1.33 5.85 -0.03 -1.91 115.31 120.60 3sak h LEU 32 Ca 0.29 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.01 3sak h LEU 32 Cb -0.10 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3sak h LEU 32 CO -0.06 0.07 0.60 0.50 -0.34 0.00 0.00 178.44 179.22 3sak h LYS 33 N 0.11 1.19 -1.01 1.25 3.64 -0.57 -1.76 116.57 119.43 3sak h LYS 33 Ca 0.03 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3sak h LYS 33 Cb -0.01 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 31.48 3sak h LYS 33 CO -0.01 0.79 0.66 -0.44 -2.27 0.00 0.00 179.45 178.18 3sak h ASP 34 N 1.23 1.11 -0.81 4.20 3.32 -0.07 0.81 116.42 126.21 3sak h ASP 34 Ca 0.33 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3sak h ASP 34 Cb -0.14 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.12 3sak h ASP 34 CO -0.07 0.76 0.33 0.00 -1.72 0.00 0.00 179.24 178.54 3sak h ALA 35 N 1.41 1.05 -0.16 3.45 0.00 -0.59 -1.70 119.26 122.71 3sak h ALA 35 Ca 0.40 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 3sak h ALA 35 Cb -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3sak h ALA 35 CO -0.12 0.67 -0.67 0.37 0.00 0.00 0.00 179.25 179.51 3sak h GLN 36 N 1.18 0.63 0.00 0.00 4.15 -0.79 -2.74 115.11 117.55 3sak h GLN 36 Ca 0.27 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.23 3sak h GLN 36 Cb 0.21 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3sak h GLN 36 CO -0.02 1.08 0.00 0.00 -1.93 0.00 0.00 178.83 177.96 3sak n ALA 37 N -2.55 1.77 0.97 3.38 0.00 0.27 -2.66 120.51 121.70 3sak n ALA 37 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.36 3sak n ALA 37 Cb 0.68 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.09 -0.49 3.79 0.00 0.00 -0.69 -4.71 105.19 103.01 3sak n GLY 38 Ca 0.06 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 4.41 0.62 1.61 2.47 -1.09 -5.02 119.74 120.74 3sak s LYS 39 Ca 0.09 1.00 -0.19 0.00 -1.56 0.00 0.00 55.97 55.31 3sak s LYS 39 Cb 0.04 -3.15 -0.03 0.00 -1.46 0.00 0.00 37.83 33.23 3sak s LYS 39 CO 0.07 0.54 1.17 0.39 0.16 0.00 0.00 175.35 177.68 3sak n GLU 40 N 1.38 1.09 -0.99 4.03 1.02 -1.26 -4.91 120.64 121.00 3sak n GLU 40 Ca -0.06 0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 57.17 3sak n GLU 40 Cb 0.50 -2.39 0.11 0.00 -0.02 0.00 0.00 31.44 29.64 3sak n GLU 40 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3sak n PRO 41 N -1.45 -0.03 0.00 3.49 -0.01 -1.26 -5.18 135.00 130.56 3sak n PRO 41 Ca 0.14 0.05 0.11 0.00 -0.01 0.00 0.00 63.50 63.80 3sak n PRO 41 Cb 0.47 -2.06 0.67 0.00 -0.01 0.00 0.00 33.50 32.57 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90