#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 -2.14 -3.49 1.97 4.81 -1.26 -3.92 118.16 114.13 3sak n LYS 2 Ca 0.00 1.93 -0.17 0.00 -0.87 0.00 0.00 58.31 59.21 3sak n LYS 2 Cb 0.00 -3.37 0.01 0.00 0.02 0.00 0.00 35.03 31.69 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 1.08 -1.39 -0.60 1.64 4.81 -1.26 -4.91 118.16 117.54 3sak n LYS 3 Ca -0.02 0.97 -0.30 0.00 -0.87 0.00 0.00 58.31 58.09 3sak n LYS 3 Cb 0.24 -3.99 0.21 0.00 0.02 0.00 0.00 35.03 31.51 3sak n LYS 3 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3sak s PRO 4 N -4.43 -0.00 0.08 1.64 0.02 -1.25 -4.94 135.00 126.11 3sak s PRO 4 Ca 0.10 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 62.03 3sak s PRO 4 Cb -0.04 -1.63 -0.05 0.00 0.02 0.00 0.00 34.50 32.80 3sak s PRO 4 CO 0.83 -3.22 0.97 -0.51 -0.33 0.00 0.00 177.00 174.75 3sak s LEU 5 N -6.94 4.46 0.00 -5.54 1.43 -1.26 -4.91 118.68 105.92 3sak s LEU 5 Ca 0.68 1.77 0.27 0.00 -1.03 0.00 0.00 54.13 55.82 3sak s LEU 5 Cb -0.24 -3.58 1.44 0.00 0.03 0.00 0.00 46.19 43.83 3sak s LEU 5 CO 0.61 -0.13 1.94 0.47 0.23 0.00 0.00 176.35 179.48 3sak n ASP 6 N 3.08 0.43 -4.75 2.29 8.00 -1.26 -4.86 116.55 119.48 3sak n ASP 6 Ca 0.03 -1.27 -0.41 0.00 0.71 0.00 0.00 54.79 53.86 3sak n ASP 6 Cb 0.49 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.85 2.53 0.38 0.44 0.00 -1.26 -4.93 107.32 102.62 3sak s GLY 7 Ca 0.40 1.30 -0.28 0.00 0.00 0.00 0.00 44.72 46.14 3sak s GLY 7 CO 0.31 2.17 1.48 -0.54 0.00 0.00 0.00 173.10 176.52 3sak s GLU 8 N -0.78 4.12 0.06 2.90 2.02 -1.26 -4.99 118.70 120.77 3sak s GLU 8 Ca 0.56 2.56 -0.05 0.00 0.02 0.00 0.00 54.97 58.06 3sak s GLU 8 Cb -0.41 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 3sak s GLU 8 CO 0.46 -0.52 0.30 0.71 0.02 0.00 0.00 175.26 176.23 3sak s TYR 9 N -1.12 3.54 -0.01 1.61 2.02 -1.26 -5.10 117.35 117.03 3sak s TYR 9 Ca 0.53 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 57.77 3sak s TYR 9 Cb -0.46 -1.97 -0.00 0.00 -0.40 0.00 0.00 41.96 39.13 3sak s TYR 9 CO 0.63 0.55 -0.05 -0.06 -1.57 0.00 0.00 175.55 175.05 3sak s PHE 10 N -1.44 0.51 0.33 2.71 0.08 -1.26 -5.15 117.98 113.76 3sak s PHE 10 Ca 0.33 -0.10 -0.08 0.00 0.12 0.00 0.00 56.93 57.21 3sak s PHE 10 Cb -0.13 -0.35 -0.06 0.00 -0.57 0.00 0.00 43.02 41.91 3sak s PHE 10 CO 0.21 -0.03 0.65 0.95 -0.10 0.00 0.00 175.22 176.90 3sak s THR 11 N -0.02 4.91 -0.09 0.64 -4.23 -1.26 -5.09 115.64 110.50 3sak s THR 11 Ca 0.01 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 3sak s THR 11 Cb -0.03 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.12 3sak s THR 11 CO -0.00 -0.39 0.22 -0.22 -0.54 0.00 0.00 174.62 173.69 3sak s LEU 12 N -3.62 0.75 -0.09 4.79 2.96 -1.26 -5.13 118.68 117.08 3sak s LEU 12 Ca 0.47 0.45 -0.25 0.00 -0.22 0.00 0.00 54.13 54.59 3sak s LEU 12 Cb -0.11 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.23 3sak s LEU 12 CO 0.30 -0.13 0.79 -1.58 -1.32 0.00 0.00 176.35 174.40 3sak s GLN 13 N 0.81 4.41 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.12 3sak s GLN 13 Ca -0.06 1.00 0.01 0.00 0.05 0.00 0.00 55.36 56.37 3sak s GLN 13 Cb -0.07 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.56 3sak s GLN 13 CO -0.05 -0.09 -0.20 0.42 -0.55 0.00 0.00 175.29 174.82 3sak s ILE 14 N 1.30 2.06 0.46 -2.34 1.01 -1.26 -5.11 121.20 117.32 3sak s ILE 14 Ca 0.40 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 3sak s ILE 14 Cb -0.18 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3sak s ILE 14 CO 0.18 0.54 1.01 -0.60 0.00 0.00 0.00 174.94 176.07 3sak s ARG 15 N 1.28 3.96 0.00 2.79 3.00 -1.26 -4.77 118.95 123.95 3sak s ARG 15 Ca 0.05 1.30 0.00 0.00 -1.00 0.00 0.00 55.73 56.08 3sak s ARG 15 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.66 3sak s ARG 15 CO -0.13 -0.29 0.00 0.41 0.00 0.00 0.00 175.30 175.29 3sak n GLY 16 N -0.30 -3.20 0.27 8.12 0.00 -1.26 -4.48 105.19 104.33 3sak n GLY 16 Ca 0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 0.93 -0.75 1.61 2.43 -2.00 -2.26 114.38 114.34 3sak h ARG 17 Ca 0.00 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3sak h ARG 17 Cb 0.00 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3sak h ARG 17 CO 0.00 0.92 0.50 0.93 -1.51 0.00 0.00 179.97 180.81 3sak h GLU 18 N 0.82 0.99 -0.91 0.20 5.08 -1.98 -1.36 114.58 117.42 3sak h GLU 18 Ca 0.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3sak h GLU 18 Cb 0.46 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3sak h GLU 18 CO 0.02 0.66 0.56 -0.09 -1.00 0.00 0.00 179.01 179.15 3sak h ARG 19 N 1.02 1.23 -0.21 2.33 2.43 -1.72 -0.34 114.38 119.12 3sak h ARG 19 Ca 0.28 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3sak h ARG 19 Cb -0.12 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.16 3sak h ARG 19 CO -0.06 0.85 0.13 0.35 -1.51 0.00 0.00 179.97 179.74 3sak h PHE 20 N 1.25 0.25 -0.94 2.20 3.57 -0.70 0.51 116.94 123.08 3sak h PHE 20 Ca 0.33 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.84 3sak h PHE 20 Cb -0.06 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3sak h PHE 20 CO 0.00 0.16 0.62 0.93 -2.23 0.00 0.00 178.31 177.79 3sak h GLU 21 N 0.28 1.23 0.01 1.11 5.08 -0.75 0.62 114.58 122.15 3sak h GLU 21 Ca 0.08 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3sak h GLU 21 Cb -0.03 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.94 3sak h GLU 21 CO -0.02 0.81 -0.01 1.98 -1.00 0.00 0.00 179.01 180.78 3sak h MET 22 N 1.27 -0.01 -0.91 2.33 4.05 -0.15 -1.17 114.93 120.34 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 -0.14 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3sak h MET 22 CO -0.08 0.15 0.50 0.74 0.23 0.00 0.00 176.91 178.45 3sak h PHE 23 N -0.17 1.25 -0.38 1.39 -1.00 0.55 -1.03 116.94 117.54 3sak h PHE 23 Ca -0.00 -0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.80 3sak h PHE 23 Cb 0.17 -0.40 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 3sak h PHE 23 CO -0.02 0.86 0.11 -0.09 -1.61 0.00 0.00 178.31 177.56 3sak h ARG 24 N 1.27 0.24 -0.33 1.51 2.43 0.57 0.73 114.38 120.81 3sak h ARG 24 Ca 0.32 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3sak h ARG 24 Cb 0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3sak h ARG 24 CO -0.05 0.16 0.21 1.49 -1.51 0.00 0.00 179.97 180.27 3sak h GLU 25 N 0.25 0.43 -0.39 0.20 4.81 -0.55 0.18 114.58 119.52 3sak h GLU 25 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3sak h GLU 25 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3sak h GLU 25 CO -0.20 0.29 0.20 -0.07 -0.73 0.00 0.00 179.01 178.51 3sak h LEU 26 N 0.44 0.50 0.00 1.64 3.38 -0.24 0.16 115.31 121.19 3sak h LEU 26 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3sak h LEU 26 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3sak h LEU 26 CO -0.03 0.46 -0.00 -1.13 0.09 0.00 0.00 178.44 177.83 3sak h ASN 27 N 0.50 -0.00 -0.91 -0.43 -0.73 0.87 -1.50 115.58 113.37 3sak h ASN 27 Ca 0.14 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 3sak h ASN 27 Cb 0.08 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 3sak h ASN 27 CO -0.02 0.00 0.50 -0.33 -0.37 0.00 0.00 177.43 177.21 3sak h GLU 28 N -0.01 1.27 -0.00 6.67 5.08 -0.45 -1.10 114.58 126.03 3sak h GLU 28 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3sak h GLU 28 Cb 0.01 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 28 CO 0.00 0.92 0.00 0.00 -1.00 0.00 0.00 179.01 178.93 3sak h ALA 29 N 1.28 0.00 -0.47 3.43 0.00 -0.27 0.24 119.26 123.47 3sak h ALA 29 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3sak h ALA 29 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3sak h ALA 29 CO -0.05 -0.50 0.24 -0.07 0.00 0.00 0.00 179.25 178.87 3sak h LEU 30 N 0.00 0.60 -0.87 0.00 3.38 -1.03 -1.38 115.31 116.01 3sak h LEU 30 Ca 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3sak h LEU 30 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3sak h LEU 30 CO -0.00 0.54 0.54 -0.33 0.09 0.00 0.00 178.44 179.28 3sak h GLU 31 N 0.62 1.18 -0.01 1.13 5.08 -0.87 0.10 114.58 121.81 3sak h GLU 31 Ca 0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3sak h GLU 31 Cb 0.09 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3sak h GLU 31 CO -0.02 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 180.05 3sak h LEU 32 N 1.20 0.01 -0.89 1.33 5.85 -0.01 -0.98 115.31 121.81 3sak h LEU 32 Ca 0.31 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3sak h LEU 32 Cb -0.07 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3sak h LEU 32 CO -0.06 0.02 0.57 0.50 -0.34 0.00 0.00 178.44 179.13 3sak h LYS 33 N -0.01 1.18 -0.99 1.25 3.64 -0.85 -1.93 116.57 118.87 3sak h LYS 33 Ca 0.00 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3sak h LYS 33 Cb 0.02 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.53 3sak h LYS 33 CO -0.00 0.80 0.65 -0.44 -2.27 0.00 0.00 179.45 178.19 3sak h ASP 34 N 1.21 1.14 -0.55 4.20 3.32 -0.52 0.49 116.42 125.70 3sak h ASP 34 Ca 0.32 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3sak h ASP 34 Cb -0.11 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 3sak h ASP 34 CO -0.07 0.83 0.32 0.00 -1.72 0.00 0.00 179.24 178.60 3sak h ALA 35 N 1.36 0.70 0.00 3.45 0.00 -0.41 -1.64 119.26 122.72 3sak h ALA 35 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3sak h ALA 35 Cb -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3sak h ALA 35 CO -0.08 0.20 -0.15 1.04 0.00 0.00 0.00 179.25 180.26 3sak n GLN 36 N -4.64 0.01 -0.14 0.00 6.02 -0.89 -3.61 117.38 114.13 3sak n GLN 36 Ca 0.03 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 3sak n GLN 36 Cb 0.07 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 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 2.98 0.63 -1.11 -1.58 0.00 0.96 -3.34 119.26 117.80 3sak h ALA 37 Ca 0.00 -0.42 -0.70 0.00 0.00 0.00 0.00 54.91 53.79 3sak h ALA 37 Cb 0.51 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 3sak h ALA 37 CO 0.00 0.67 1.96 0.41 0.00 0.00 0.00 179.25 182.29 3sak n GLY 38 N 0.00 2.85 3.69 0.00 0.00 -1.14 -4.96 105.19 105.62 3sak n GLY 38 Ca -0.01 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 3.39 4.32 0.63 1.61 2.20 -1.26 -5.03 119.74 125.61 3sak s LYS 39 Ca 0.51 0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 56.72 3sak s LYS 39 Cb 0.02 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 3sak s LYS 39 CO 0.06 -0.12 1.10 -0.85 -0.36 0.00 0.00 175.35 175.18 3sak n GLU 40 N 4.52 0.97 -1.63 4.03 0.28 -1.26 -4.89 120.64 122.66 3sak n GLU 40 Ca -0.00 0.38 -0.38 0.00 -0.16 0.00 0.00 57.16 57.00 3sak n GLU 40 Cb 0.50 -2.32 0.05 0.00 1.43 0.00 0.00 31.44 31.10 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 -1.42 0.96 0.00 3.44 -0.01 -1.26 -5.27 135.00 131.44 3sak n PRO 41 Ca 0.15 0.37 0.01 0.00 -0.01 0.00 0.00 63.50 64.02 3sak n PRO 41 Cb 0.48 -2.20 0.04 0.00 -0.01 0.00 0.00 33.50 31.81 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90