#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 -7.12 -3.56 1.97 3.00 -1.26 -3.14 118.16 108.04 3sak n LYS 2 Ca 0.00 0.78 -0.17 0.00 -0.00 0.00 0.00 58.31 58.92 3sak n LYS 2 Cb 0.00 -5.77 0.00 0.00 0.00 0.00 0.00 35.03 29.26 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3sak n LYS 3 N -4.74 -1.47 -0.86 1.64 5.02 -1.26 -4.88 118.16 111.60 3sak n LYS 3 Ca -0.06 0.99 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 3sak n LYS 3 Cb 0.58 -3.39 0.15 0.00 -0.02 0.00 0.00 35.03 32.35 3sak n LYS 3 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3sak s PRO 4 N -4.34 1.31 -0.43 1.97 0.02 -1.19 -4.91 135.00 127.43 3sak s PRO 4 Ca 0.00 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.29 3sak s PRO 4 Cb -0.00 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.78 3sak s PRO 4 CO 0.85 -2.42 1.06 -0.51 -0.33 0.00 0.00 177.00 175.65 3sak s LEU 5 N -6.33 3.80 0.83 -5.54 1.43 -1.26 -5.02 118.68 106.59 3sak s LEU 5 Ca 0.67 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 3sak s LEU 5 Cb -0.23 -3.45 0.11 0.00 0.03 0.00 0.00 46.19 42.64 3sak s LEU 5 CO 0.56 -1.09 1.19 -1.81 0.23 0.00 0.00 176.35 175.43 3sak s ASP 6 N 2.17 4.23 0.62 2.29 1.01 -1.26 -5.01 116.67 120.72 3sak s ASP 6 Ca 0.44 0.61 -0.18 0.00 0.71 0.00 0.00 52.55 54.14 3sak s ASP 6 Cb -0.09 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 3sak s ASP 6 CO 0.26 -2.06 1.19 -0.83 0.21 0.00 0.00 175.17 173.94 3sak s GLY 7 N -4.64 2.58 0.38 0.21 0.00 -1.26 -4.92 107.32 99.66 3sak s GLY 7 Ca 0.65 0.91 -0.28 0.00 0.00 0.00 0.00 44.72 45.99 3sak s GLY 7 CO 0.49 1.29 1.50 -0.54 0.00 0.00 0.00 173.10 175.85 3sak s GLU 8 N -3.53 4.09 0.04 2.90 2.02 -1.26 -5.00 118.70 117.95 3sak s GLU 8 Ca 0.75 2.60 0.03 0.00 0.02 0.00 0.00 54.97 58.36 3sak s GLU 8 Cb -0.28 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3sak s GLU 8 CO 0.36 -0.56 0.01 0.71 0.02 0.00 0.00 175.26 175.80 3sak s TYR 9 N -1.10 3.06 -0.01 1.61 2.02 -1.26 -5.12 117.35 116.54 3sak s TYR 9 Ca 0.53 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.29 3sak s TYR 9 Cb -0.47 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 3sak s TYR 9 CO 0.64 0.47 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.97 3sak s PHE 10 N -1.19 0.59 0.36 2.71 0.40 -1.26 -5.14 117.98 114.45 3sak s PHE 10 Ca 0.23 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 3sak s PHE 10 Cb -0.12 -0.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.92 3sak s PHE 10 CO 0.14 -0.05 0.70 0.95 0.70 0.00 0.00 175.22 177.66 3sak s THR 11 N 0.14 4.84 -0.09 0.64 -4.23 -1.26 -5.09 115.64 110.60 3sak s THR 11 Ca -0.01 0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 60.96 3sak s THR 11 Cb -0.06 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.11 3sak s THR 11 CO -0.00 -0.41 0.21 -0.22 -0.54 0.00 0.00 174.62 173.66 3sak s LEU 12 N -3.62 0.72 -0.09 4.79 2.96 -1.26 -5.13 118.68 117.05 3sak s LEU 12 Ca 0.50 0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 54.59 3sak s LEU 12 Cb -0.10 0.65 -0.02 0.00 0.50 0.00 0.00 46.19 47.21 3sak s LEU 12 CO 0.29 -0.13 0.84 -1.58 -1.32 0.00 0.00 176.35 174.45 3sak s GLN 13 N 0.89 4.42 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.21 3sak s GLN 13 Ca -0.06 1.10 0.01 0.00 0.05 0.00 0.00 55.36 56.46 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 -0.05 -0.14 -0.20 0.42 -0.55 0.00 0.00 175.29 174.77 3sak s ILE 14 N 1.44 2.04 0.32 -2.34 1.01 -1.26 -5.11 121.20 117.30 3sak s ILE 14 Ca 0.42 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.87 3sak s ILE 14 Cb -0.18 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 3sak s ILE 14 CO 0.18 0.53 1.00 -0.60 0.00 0.00 0.00 174.94 176.06 3sak s ARG 15 N 1.30 4.52 0.00 2.79 3.52 -1.26 -4.79 118.95 125.03 3sak s ARG 15 Ca 0.05 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 3sak s ARG 15 Cb -0.13 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 3sak s ARG 15 CO -0.13 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.95 3sak n GLY 16 N 0.76 -2.18 0.29 8.12 0.00 -1.26 -4.52 105.19 106.40 3sak n GLY 16 Ca 0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 1.03 -0.79 1.61 2.43 -2.00 -2.30 114.38 114.35 3sak h ARG 17 Ca 0.00 -0.40 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3sak h ARG 17 Cb 0.00 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3sak h ARG 17 CO 0.00 1.09 0.53 0.93 -1.51 0.00 0.00 179.97 181.00 3sak h GLU 18 N 0.90 1.04 -0.87 0.20 5.08 -1.99 -1.44 114.58 117.51 3sak h GLU 18 Ca 0.13 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3sak h GLU 18 Cb 0.71 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3sak h GLU 18 CO 0.05 0.69 0.44 -0.09 -1.00 0.00 0.00 179.01 179.10 3sak h ARG 19 N 1.07 1.24 -0.01 2.33 2.43 -1.74 -1.36 114.38 118.35 3sak h ARG 19 Ca 0.29 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3sak h ARG 19 Cb -0.12 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 3sak h ARG 19 CO -0.06 0.93 -0.00 0.35 -1.51 0.00 0.00 179.97 179.68 3sak h PHE 20 N 1.23 -0.00 -0.83 2.20 3.57 -0.73 0.30 116.94 122.67 3sak h PHE 20 Ca 0.30 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3sak h PHE 20 Cb 0.08 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 3sak h PHE 20 CO 0.01 -0.00 0.53 0.93 -2.23 0.00 0.00 178.31 177.55 3sak h GLU 21 N 0.00 0.99 0.07 1.11 5.08 -0.97 0.51 114.58 121.36 3sak h GLU 21 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3sak h GLU 21 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3sak h GLU 21 CO -0.01 0.65 -0.03 1.98 -1.00 0.00 0.00 179.01 180.60 3sak h MET 22 N 1.01 -0.09 -0.89 2.33 4.05 -0.58 -0.26 114.93 120.52 3sak h MET 22 Ca 0.34 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.75 3sak h MET 22 Cb 0.05 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 3sak h MET 22 CO -0.13 -0.00 0.48 0.74 0.23 0.00 0.00 176.91 178.23 3sak h PHE 23 N -0.15 1.22 -0.49 1.39 -1.00 0.24 -1.33 116.94 116.82 3sak h PHE 23 Ca -0.01 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.75 3sak h PHE 23 Cb 0.13 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.27 3sak h PHE 23 CO -0.05 0.85 0.31 -0.09 -1.61 0.00 0.00 178.31 177.72 3sak h ARG 24 N 1.24 0.61 -0.15 1.51 2.43 0.38 0.61 114.38 121.01 3sak h ARG 24 Ca 0.31 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3sak h ARG 24 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3sak h ARG 24 CO -0.05 0.40 0.10 1.49 -1.51 0.00 0.00 179.97 180.40 3sak h GLU 25 N 0.62 0.20 -0.44 0.20 4.81 -0.46 0.56 114.58 120.08 3sak h GLU 25 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3sak h GLU 25 Cb -0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3sak h GLU 25 CO -0.06 0.13 0.23 -0.07 -0.73 0.00 0.00 179.01 178.51 3sak h LEU 26 N 0.20 0.55 -0.02 1.64 3.38 -0.72 0.28 115.31 120.63 3sak h LEU 26 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3sak h LEU 26 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3sak h LEU 26 CO -0.01 0.50 0.01 -1.13 0.09 0.00 0.00 178.44 177.90 3sak h ASN 27 N 0.57 0.02 -0.98 -0.43 -0.73 0.69 -1.26 115.58 113.47 3sak h ASN 27 Ca 0.15 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.32 3sak h ASN 27 Cb 0.08 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.61 3sak h ASN 27 CO -0.02 0.02 0.62 -0.33 -0.37 0.00 0.00 177.43 177.35 3sak h GLU 28 N 0.02 1.31 -0.09 6.67 4.39 0.42 -1.06 114.58 126.24 3sak h GLU 28 Ca 0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3sak h GLU 28 Cb -0.00 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 3sak h GLU 28 CO -0.00 0.88 0.04 0.00 -1.16 0.00 0.00 179.01 178.77 3sak h ALA 29 N 1.34 0.10 -0.77 3.43 0.00 0.08 0.92 119.26 124.37 3sak h ALA 29 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3sak h ALA 29 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3sak h ALA 29 CO -0.07 -0.42 0.41 -0.07 0.00 0.00 0.00 179.25 179.10 3sak h LEU 30 N 0.09 0.97 -0.66 0.00 3.38 -0.85 -0.98 115.31 117.26 3sak h LEU 30 Ca 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3sak h LEU 30 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3sak h LEU 30 CO -0.03 0.80 0.42 -0.33 0.09 0.00 0.00 178.44 179.40 3sak h GLU 31 N 1.07 0.88 -0.29 1.13 5.08 -0.70 0.14 114.58 121.88 3sak h GLU 31 Ca 0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3sak h GLU 31 Cb 0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3sak h GLU 31 CO -0.04 0.60 0.19 1.25 -1.00 0.00 0.00 179.01 180.01 3sak h LEU 32 N 0.89 0.33 -1.01 1.33 5.85 -0.20 -1.60 115.31 120.90 3sak h LEU 32 Ca 0.24 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3sak h LEU 32 Cb -0.08 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3sak h LEU 32 CO -0.05 0.24 0.63 0.50 -0.34 0.00 0.00 178.44 179.43 3sak h LYS 33 N 0.39 1.30 -1.01 1.25 3.64 -0.59 -1.91 116.57 119.65 3sak h LYS 33 Ca 0.11 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3sak h LYS 33 Cb -0.04 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 31.44 3sak h LYS 33 CO -0.02 0.87 0.67 -0.44 -2.27 0.00 0.00 179.45 178.26 3sak h ASP 34 N 1.33 1.15 -0.90 4.20 3.32 -0.01 -0.04 116.42 125.48 3sak h ASP 34 Ca 0.36 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3sak h ASP 34 Cb -0.13 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.09 3sak h ASP 34 CO -0.07 0.83 0.52 0.00 -1.72 0.00 0.00 179.24 178.80 3sak h ALA 35 N 1.37 1.15 0.00 3.45 0.00 -0.50 -0.96 119.26 123.77 3sak h ALA 35 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3sak h ALA 35 Cb -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.27 3sak h ALA 35 CO -0.08 0.63 -0.03 1.04 0.00 0.00 0.00 179.25 180.80 3sak n GLN 36 N -4.37 0.01 0.00 0.00 6.02 -0.79 -3.05 117.38 115.20 3sak n GLN 36 Ca 0.10 0.01 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 3sak n GLN 36 Cb 0.07 -1.52 0.39 0.00 1.02 0.00 0.00 30.24 30.20 3sak n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3sak n ALA 37 N -1.51 1.83 -0.89 -1.58 0.00 -0.09 -3.97 120.51 114.29 3sak n ALA 37 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3sak n ALA 37 Cb 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.34 1.11 3.81 0.00 0.00 -1.17 -4.86 105.19 104.41 3sak n GLY 38 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3sak n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sak s LYS 39 N -0.21 4.32 0.63 1.61 1.02 -1.25 -5.03 119.74 120.83 3sak s LYS 39 Ca 0.00 0.93 -0.19 0.00 0.02 0.00 0.00 55.97 56.73 3sak s LYS 39 Cb 0.00 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3sak s LYS 39 CO 0.00 0.44 1.30 0.39 -0.92 0.00 0.00 175.35 176.55 3sak n GLU 40 N 0.93 1.20 -1.62 1.68 1.02 -1.26 -4.90 120.64 117.69 3sak n GLU 40 Ca -0.03 0.46 -0.39 0.00 -0.02 0.00 0.00 57.16 57.19 3sak n GLU 40 Cb 0.51 -2.53 0.04 0.00 -0.02 0.00 0.00 31.44 29.43 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 -1.75 1.09 0.00 3.49 -0.01 -1.26 -5.13 135.00 131.43 3sak n PRO 41 Ca 0.15 0.41 0.00 0.00 -0.01 0.00 0.00 63.50 64.05 3sak n PRO 41 Cb 0.47 -2.17 0.00 0.00 -0.01 0.00 0.00 33.50 31.80 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90