#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 -1.43 -3.38 1.97 4.81 -1.26 -3.27 118.16 115.60 3sak n LYS 2 Ca 0.00 1.13 -0.12 0.00 -0.87 0.00 0.00 58.31 58.45 3sak n LYS 2 Cb 0.00 -4.06 0.01 0.00 0.02 0.00 0.00 35.03 31.00 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3sak n LYS 3 N -2.20 -1.41 0.00 1.64 5.02 -1.26 -4.72 118.16 115.23 3sak n LYS 3 Ca -0.16 1.13 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3sak n LYS 3 Cb 0.60 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 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 -2.35 0.35 -1.30 1.97 -0.04 -1.20 -4.48 135.00 127.94 3sak n PRO 4 Ca -0.12 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.97 3sak n PRO 4 Cb 0.58 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 3sak n PRO 4 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3sak n LEU 5 N 0.82 8.46 -4.84 1.53 7.99 -1.26 -4.92 117.00 124.78 3sak n LEU 5 Ca 0.00 -4.28 -0.29 0.00 -0.01 0.00 0.00 56.01 51.43 3sak n LEU 5 Cb 0.17 -1.54 0.11 0.00 -0.11 0.00 0.00 43.42 42.05 3sak n LEU 5 CO 0.00 2.05 0.75 -1.81 -1.51 0.00 0.00 177.39 176.87 3sak s ASP 6 N 2.10 4.01 0.57 -1.43 1.01 -1.26 -4.99 116.67 116.69 3sak s ASP 6 Ca 0.69 0.89 -0.20 0.00 0.71 0.00 0.00 52.55 54.64 3sak s ASP 6 Cb 0.19 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 3sak s ASP 6 CO -0.06 -2.23 1.24 -0.83 0.21 0.00 0.00 175.17 173.50 3sak s GLY 7 N -4.29 2.78 0.38 0.21 0.00 -1.26 -4.91 107.32 100.23 3sak s GLY 7 Ca 0.63 1.08 -0.28 0.00 0.00 0.00 0.00 44.72 46.14 3sak s GLY 7 CO 0.51 1.50 1.50 1.18 0.00 0.00 0.00 173.10 177.79 3sak n GLU 8 N -1.39 2.71 -3.96 2.90 1.02 -1.26 -4.99 120.64 115.67 3sak n GLU 8 Ca 0.13 0.95 -0.33 0.00 -0.02 0.00 0.00 57.16 57.88 3sak n GLU 8 Cb 0.48 -2.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.16 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 -1.11 3.47 -0.01 -0.32 1.51 -1.26 -5.11 117.35 114.53 3sak s TYR 9 Ca 0.53 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.93 3sak s TYR 9 Cb -0.47 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 3sak s TYR 9 CO 0.64 0.62 -0.06 -0.06 -1.11 0.00 0.00 175.55 175.58 3sak s PHE 10 N -1.27 0.56 0.34 2.71 0.08 -1.26 -5.15 117.98 114.00 3sak s PHE 10 Ca 0.25 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.13 3sak s PHE 10 Cb -0.12 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.89 3sak s PHE 10 CO 0.16 -0.03 0.63 0.95 -0.10 0.00 0.00 175.22 176.84 3sak s THR 11 N -0.04 4.96 -0.10 0.64 -4.23 -1.26 -5.09 115.64 110.52 3sak s THR 11 Ca 0.01 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 3sak s THR 11 Cb -0.04 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.09 3sak s THR 11 CO -0.00 -0.45 0.22 -0.22 -0.54 0.00 0.00 174.62 173.63 3sak s LEU 12 N -3.82 0.36 -0.11 4.79 2.96 -1.26 -5.13 118.68 116.47 3sak s LEU 12 Ca 0.46 0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 54.59 3sak s LEU 12 Cb -0.10 0.64 -0.02 0.00 0.50 0.00 0.00 46.19 47.20 3sak s LEU 12 CO 0.32 -0.18 0.81 -1.58 -1.32 0.00 0.00 176.35 174.41 3sak s GLN 13 N 1.43 4.38 -0.16 1.98 0.74 -1.26 -5.04 119.66 121.74 3sak s GLN 13 Ca -0.07 1.03 0.01 0.00 0.05 0.00 0.00 55.36 56.38 3sak s GLN 13 Cb -0.11 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.50 3sak s GLN 13 CO -0.08 -0.16 -0.20 0.42 -0.55 0.00 0.00 175.29 174.72 3sak s ILE 14 N 1.54 1.98 0.35 -2.34 1.01 -1.26 -5.11 121.20 117.37 3sak s ILE 14 Ca 0.40 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 3sak s ILE 14 Cb -0.18 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 3sak s ILE 14 CO 0.16 0.53 1.01 -0.60 0.00 0.00 0.00 174.94 176.04 3sak s ARG 15 N 1.15 4.40 0.00 2.79 3.52 -1.26 -4.77 118.95 124.79 3sak s ARG 15 Ca 0.01 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 3sak s ARG 15 Cb -0.14 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 3sak s ARG 15 CO -0.09 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 3sak n GLY 16 N 0.53 -2.80 0.27 8.12 0.00 -1.26 -4.47 105.19 105.58 3sak n GLY 16 Ca 0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 0.92 -0.71 1.61 2.43 -2.00 -1.73 114.38 114.91 3sak h ARG 17 Ca 0.00 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3sak h ARG 17 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3sak h ARG 17 CO 0.00 0.92 0.46 1.49 -1.51 0.00 0.00 179.97 181.33 3sak h GLU 18 N 0.80 0.93 -0.76 0.20 4.81 -1.99 -0.39 114.58 118.19 3sak h GLU 18 Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3sak h GLU 18 Cb 0.47 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3sak h GLU 18 CO 0.02 0.62 0.45 -0.09 -0.73 0.00 0.00 179.01 179.28 3sak h ARG 19 N 0.96 1.04 -0.07 1.92 2.43 -1.72 -1.00 114.38 117.93 3sak h ARG 19 Ca 0.26 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3sak h ARG 19 Cb -0.10 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.23 3sak h ARG 19 CO -0.05 0.74 0.05 0.35 -1.51 0.00 0.00 179.97 179.55 3sak h PHE 20 N 1.04 0.09 -0.96 2.20 3.57 -0.41 -1.52 116.94 120.96 3sak h PHE 20 Ca 0.27 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.83 3sak h PHE 20 Cb -0.02 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3sak h PHE 20 CO -0.01 0.07 0.62 0.93 -2.23 0.00 0.00 178.31 177.70 3sak h GLU 21 N 0.09 1.09 0.22 1.11 5.08 -0.71 0.15 114.58 121.61 3sak h GLU 21 Ca 0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3sak h GLU 21 Cb -0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 21 CO -0.01 0.72 -0.10 1.98 -1.00 0.00 0.00 179.01 180.60 3sak h MET 22 N 1.12 -0.28 -0.54 2.33 4.05 -0.34 -1.52 114.93 119.75 3sak h MET 22 Ca 0.41 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.73 3sak h MET 22 Cb 0.16 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3sak h MET 22 CO -0.16 -0.18 -0.12 0.74 0.23 0.00 0.00 176.91 177.42 3sak h PHE 23 N -0.30 1.14 -0.74 1.39 0.04 -0.84 -2.80 116.94 114.83 3sak h PHE 23 Ca -0.03 -0.24 0.09 0.00 2.80 0.00 0.00 57.97 60.60 3sak h PHE 23 Cb 0.23 -0.28 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 3sak h PHE 23 CO -0.06 1.06 0.39 -0.09 -0.60 0.00 0.00 178.31 179.00 3sak h ARG 24 N 0.90 0.64 -0.12 1.51 2.43 -0.51 0.73 114.38 119.96 3sak h ARG 24 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3sak h ARG 24 Cb 0.68 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3sak h ARG 24 CO 0.05 0.42 0.07 1.49 -1.51 0.00 0.00 179.97 180.50 3sak h GLU 25 N 0.66 0.15 -0.56 0.20 4.81 -1.05 0.31 114.58 119.10 3sak h GLU 25 Ca 0.36 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3sak h GLU 25 Cb 0.36 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3sak h GLU 25 CO -0.26 0.10 0.20 -0.07 -0.73 0.00 0.00 179.01 178.25 3sak h LEU 26 N 0.15 0.78 -0.03 1.64 3.38 -0.97 0.40 115.31 120.66 3sak h LEU 26 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3sak h LEU 26 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3sak h LEU 26 CO -0.02 0.75 0.02 -1.13 0.09 0.00 0.00 178.44 178.16 3sak h ASN 27 N 0.76 0.04 -0.95 -0.43 -0.73 0.89 -1.14 115.58 114.03 3sak h ASN 27 Ca 0.18 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 3sak h ASN 27 Cb 0.23 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.76 3sak h ASN 27 CO -0.01 0.05 0.58 -0.33 -0.37 0.00 0.00 177.43 177.35 3sak h GLU 28 N 0.02 1.28 -0.24 6.67 5.08 -0.21 -1.54 114.58 125.65 3sak h GLU 28 Ca 0.01 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3sak h GLU 28 Cb 0.02 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3sak h GLU 28 CO -0.00 0.89 0.12 0.00 -1.00 0.00 0.00 179.01 179.02 3sak h ALA 29 N 1.33 0.28 -0.67 3.43 0.00 -0.41 0.45 119.26 123.68 3sak h ALA 29 Ca 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3sak h ALA 29 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3sak h ALA 29 CO -0.07 -0.28 0.40 -0.07 0.00 0.00 0.00 179.25 179.23 3sak h LEU 30 N 0.25 0.81 -0.93 0.00 3.38 -0.77 -2.12 115.31 115.93 3sak h LEU 30 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3sak h LEU 30 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3sak h LEU 30 CO -0.06 0.64 0.55 -0.33 0.09 0.00 0.00 178.44 179.32 3sak h GLU 31 N 0.91 1.28 0.18 1.13 5.08 -0.71 0.57 114.58 123.03 3sak h GLU 31 Ca 0.24 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3sak h GLU 31 Cb -0.02 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3sak h GLU 31 CO -0.04 0.91 -0.09 1.25 -1.00 0.00 0.00 179.01 180.04 3sak h LEU 32 N 1.30 -0.21 -0.86 1.33 6.46 -0.32 0.16 115.31 123.16 3sak h LEU 32 Ca 0.33 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 3sak h LEU 32 Cb -0.03 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 3sak h LEU 32 CO -0.06 -0.14 0.47 0.50 -0.62 0.00 0.00 178.44 178.59 3sak h LYS 33 N -0.25 1.21 -1.00 1.25 3.64 -1.11 -2.34 116.57 117.97 3sak h LYS 33 Ca -0.02 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3sak h LYS 33 Cb 0.19 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 3sak h LYS 33 CO 0.04 0.89 0.66 -0.44 -2.27 0.00 0.00 179.45 178.33 3sak h ASP 34 N 1.21 1.14 -0.86 4.20 3.32 -0.41 -2.03 116.42 122.98 3sak h ASP 34 Ca 0.30 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3sak h ASP 34 Cb 0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 3sak h ASP 34 CO -0.05 0.83 0.50 0.00 -1.72 0.00 0.00 179.24 178.80 3sak h ALA 35 N 1.37 1.26 -0.10 3.45 0.00 -0.42 -1.93 119.26 122.89 3sak h ALA 35 Ca 0.37 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 3sak h ALA 35 Cb -0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.28 3sak h ALA 35 CO -0.08 0.62 -0.60 1.96 0.00 0.00 0.00 179.25 181.15 3sak h GLN 36 N 1.20 0.35 -0.53 0.00 4.20 -1.28 -3.09 115.11 115.96 3sak h GLN 36 Ca 0.31 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 3sak h GLN 36 Cb -0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3sak h GLN 36 CO -0.05 0.85 -0.05 0.00 -0.67 0.00 0.00 178.83 178.90 3sak h ALA 37 N 1.09 0.91 0.00 3.87 0.00 -0.87 -2.90 119.26 121.36 3sak h ALA 37 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3sak h ALA 37 Cb 1.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3sak h ALA 37 CO 0.10 0.64 -0.01 0.41 0.00 0.00 0.00 179.25 180.39 3sak n GLY 38 N -0.43 1.88 3.73 0.00 0.00 -0.77 -4.84 105.19 104.75 3sak n GLY 38 Ca 0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 0.86 4.58 0.62 1.61 2.20 -1.10 -5.01 119.74 123.51 3sak s LYS 39 Ca 0.07 1.28 -0.19 0.00 -0.36 0.00 0.00 55.97 56.78 3sak s LYS 39 Cb 0.03 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3sak s LYS 39 CO 0.00 0.16 1.21 0.39 -0.36 0.00 0.00 175.35 176.75 3sak n GLU 40 N 3.15 1.13 -1.67 4.03 1.02 -1.26 -4.87 120.64 122.16 3sak n GLU 40 Ca 0.02 0.44 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 3sak n GLU 40 Cb 0.50 -2.43 -0.01 0.00 -0.02 0.00 0.00 31.44 29.47 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 -1.53 1.98 0.00 3.49 -0.01 -1.26 -5.23 135.00 132.44 3sak n PRO 41 Ca 0.15 0.70 0.15 0.00 -0.01 0.00 0.00 63.50 64.49 3sak n PRO 41 Cb 0.47 -2.27 0.82 0.00 -0.01 0.00 0.00 33.50 32.51 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90