#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sis s MET 3 N -2.58 1.76 0.61 0.00 0.23 -1.25 -5.04 119.30 113.02 1sis s MET 3 Ca -0.14 -1.12 -0.14 0.00 -1.03 0.00 0.00 55.69 53.26 1sis s MET 3 Cb 0.07 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.84 1sis s MET 3 CO 0.81 -0.82 1.04 -1.25 -2.03 0.00 0.00 175.02 172.76 1sis s PRO 4 N -2.35 3.36 -0.24 3.16 0.04 -1.26 -1.16 135.00 136.55 1sis s PRO 4 Ca 0.18 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1sis s PRO 4 Cb -0.04 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1sis s PRO 4 CO 0.08 -0.76 -0.11 0.00 0.04 0.00 0.00 177.00 176.25 1sis s PHE 6 N 1.25 2.51 0.00 0.00 0.40 -1.26 -4.07 117.98 116.80 1sis s PHE 6 Ca -0.01 -2.77 -0.02 0.00 -0.60 0.00 0.00 56.93 53.52 1sis s PHE 6 Cb -0.17 -2.23 -0.09 0.00 0.51 0.00 0.00 43.02 41.05 1sis s PHE 6 CO -0.07 -0.74 1.87 0.25 0.70 0.00 0.00 175.22 177.24 1sis n THR 7 N 3.16 1.57 -0.06 0.64 -2.24 -1.26 -2.98 114.28 113.10 1sis n THR 7 Ca 0.10 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1sis n THR 7 Cb 0.35 -1.57 -0.14 0.00 -2.10 0.00 0.00 70.33 66.86 1sis n THR 7 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1sis n THR 8 N 2.22 1.58 -3.10 4.28 5.66 -1.26 -4.89 114.28 118.76 1sis n THR 8 Ca 0.14 -0.70 -0.41 0.00 -3.05 0.00 0.00 64.05 60.03 1sis n THR 8 Cb 0.45 -1.23 -0.06 0.00 -1.55 0.00 0.00 70.33 67.93 1sis n THR 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sis s ASP 9 N -6.37 6.55 0.19 1.09 -1.08 -1.16 -4.94 116.67 110.95 1sis s ASP 9 Ca -0.20 0.59 0.15 0.00 -0.52 0.00 0.00 52.55 52.57 1sis s ASP 9 Cb 0.07 -2.34 0.76 0.00 -1.46 0.00 0.00 42.92 39.95 1sis s ASP 9 CO 0.74 -0.44 1.47 -0.81 0.52 0.00 0.00 175.17 176.65 1sis n PRO 10 N 5.82 0.10 0.00 4.34 -0.04 -1.26 -1.79 135.00 142.17 1sis n PRO 10 Ca -0.00 0.52 0.05 0.00 -0.04 0.00 0.00 63.50 64.02 1sis n PRO 10 Cb 0.49 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1sis n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1sis n ASN 11 N -1.97 0.53 -0.33 3.54 5.15 -1.26 -4.19 115.26 116.73 1sis n ASN 11 Ca 0.00 -0.76 -0.03 0.00 -0.60 0.00 0.00 54.58 53.19 1sis n ASN 11 Cb 0.07 0.95 0.09 0.00 -0.53 0.00 0.00 39.78 40.37 1sis n ASN 11 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1sis h MET 12 N 0.11 1.17 -0.94 1.20 4.05 -1.65 -0.10 114.93 118.76 1sis h MET 12 Ca 0.00 -0.07 0.16 0.00 -0.28 0.00 0.00 59.70 59.51 1sis h MET 12 Cb 0.24 -0.26 -0.08 0.00 -0.80 0.00 0.00 31.60 30.70 1sis h MET 12 CO 0.00 0.77 0.60 0.00 0.23 0.00 0.00 176.91 178.51 1sis h ALA 13 N 1.33 1.80 0.01 0.39 0.00 -1.72 0.20 119.26 121.27 1sis h ALA 13 Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1sis h ALA 13 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1sis h ALA 13 CO -0.08 -0.08 -0.00 0.87 0.00 0.00 0.00 179.25 179.96 1sis h LYS 14 N 0.72 -0.01 -0.68 0.00 1.57 -1.54 -2.34 116.57 114.28 1sis h LYS 14 Ca 0.49 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.37 1sis h LYS 14 Cb 0.78 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 1sis h LYS 14 CO -0.25 0.19 0.29 0.87 -0.57 0.00 0.00 179.45 179.99 1sis h LYS 15 N -0.22 0.47 -0.23 3.15 1.57 0.12 0.19 116.57 121.62 1sis h LYS 15 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1sis h LYS 15 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1sis h LYS 15 CO 0.00 0.31 0.12 0.00 -0.57 0.00 0.00 179.45 179.31 1sis h ARG 17 N 0.25 0.02 -0.27 0.00 9.65 -0.36 -3.11 114.38 120.56 1sis h ARG 17 Ca 0.08 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1sis h ARG 17 Cb 0.08 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1sis h ARG 17 CO -0.01 0.01 -0.01 -0.44 2.80 0.00 0.00 179.97 182.32 1sis h ASP 18 N 0.02 0.38 -0.47 -3.80 3.32 -0.80 -0.02 116.42 115.06 1sis h ASP 18 Ca 0.04 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.10 1sis h ASP 18 Cb 0.05 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1sis h ASP 18 CO -0.07 0.46 0.12 0.00 -1.72 0.00 0.00 179.24 178.02 1sis n GLY 21 N 0.47 0.53 0.00 0.00 0.00 -0.52 -2.11 105.19 103.56 1sis n GLY 21 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sis n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sis n GLY 22 N -1.93 1.05 2.17 -0.02 0.00 -0.14 -4.90 105.19 101.42 1sis n GLY 22 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sis n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sis n ASN 23 N 0.00 3.16 -4.19 1.61 4.05 -0.90 -4.82 115.26 114.17 1sis n ASN 23 Ca 0.00 -3.01 -0.30 0.00 0.45 0.00 0.00 54.58 51.73 1sis n ASN 23 Cb 0.00 -0.41 0.20 0.00 1.23 0.00 0.00 39.78 40.80 1sis n ASN 23 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1sis s GLY 24 N -3.54 1.62 -0.15 8.20 0.00 -0.97 -3.63 107.32 108.84 1sis s GLY 24 Ca 0.40 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1sis s GLY 24 CO -0.01 -0.08 0.23 0.54 0.00 0.00 0.00 173.10 173.78 1sis s LYS 25 N -5.42 0.15 -0.11 2.90 1.02 -0.09 -4.74 119.74 113.45 1sis s LYS 25 Ca 0.69 0.49 -0.24 0.00 0.02 0.00 0.00 55.97 56.93 1sis s LYS 25 Cb -0.11 -0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 1sis s LYS 25 CO 0.55 -0.45 0.75 0.00 -0.92 0.00 0.00 175.35 175.28 1sis n PHE 27 N 4.43 3.27 0.00 0.00 3.01 0.10 -4.99 117.46 123.27 1sis n PHE 27 Ca 0.01 -3.62 0.00 0.00 1.01 0.00 0.00 57.45 54.85 1sis n PHE 27 Cb 0.50 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1sis n PHE 27 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sis n GLY 28 N 0.81 1.89 0.11 1.37 0.00 -1.26 -2.39 105.19 105.72 1sis n GLY 28 Ca 0.30 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.51 1sis n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sis n PRO 29 N 2.76 0.21 -4.85 1.61 -0.04 -1.26 -4.30 135.00 129.13 1sis n PRO 29 Ca 0.00 0.33 -0.33 0.00 -0.04 0.00 0.00 63.50 63.46 1sis n PRO 29 Cb 0.00 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 31.50 1sis n PRO 29 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1sis s GLN 30 N -3.22 2.56 -0.27 0.54 -0.21 -1.01 -1.44 119.66 116.62 1sis s GLN 30 Ca 0.07 -0.68 -0.14 0.00 0.02 0.00 0.00 55.36 54.63 1sis s GLN 30 Cb 0.11 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1sis s GLN 30 CO 0.47 0.62 0.33 0.00 -2.12 0.00 0.00 175.29 174.58 1sis s LEU 32 N 1.95 2.53 0.59 0.00 1.02 -0.76 -1.16 118.68 122.85 1sis s LEU 32 Ca 0.13 -0.78 0.03 0.00 0.02 0.00 0.00 54.13 53.53 1sis s LEU 32 Cb -0.16 -1.29 0.07 0.00 0.02 0.00 0.00 46.19 44.83 1sis s LEU 32 CO 0.10 0.13 0.82 0.00 0.02 0.00 0.00 176.35 177.42 1sis n ASN 34 N -2.41 2.98 0.00 0.00 0.23 -1.24 -4.80 115.26 110.03 1sis n ASN 34 Ca 0.11 -2.32 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 1sis n ASN 34 Cb 0.60 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1sis n ASN 34 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22