#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sis n MET 3 N -3.43 0.35 -1.60 0.00 0.00 -1.22 -5.05 117.12 106.18 1sis n MET 3 Ca -0.23 -0.73 -0.30 0.00 0.00 0.00 0.00 57.70 56.44 1sis n MET 3 Cb 1.05 0.95 0.09 0.00 0.00 0.00 0.00 33.22 35.31 1sis n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1sis s PRO 4 N -2.03 2.17 -0.33 3.17 0.04 -1.26 -1.05 135.00 135.71 1sis s PRO 4 Ca 0.08 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1sis s PRO 4 Cb -0.02 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1sis s PRO 4 CO 0.03 -1.55 0.05 0.00 0.04 0.00 0.00 177.00 175.57 1sis s PHE 6 N 1.10 2.96 0.00 0.00 0.08 -1.26 -4.14 117.98 116.71 1sis s PHE 6 Ca 0.02 -3.04 -0.01 0.00 0.12 0.00 0.00 56.93 54.02 1sis s PHE 6 Cb -0.20 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 1sis s PHE 6 CO -0.05 -0.74 1.64 0.25 -0.10 0.00 0.00 175.22 176.23 1sis n THR 7 N 3.11 1.47 -0.08 0.64 -2.24 -1.26 -3.31 114.28 112.61 1sis n THR 7 Ca 0.07 -0.51 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 1sis n THR 7 Cb 0.33 -1.47 -0.12 0.00 -2.10 0.00 0.00 70.33 66.97 1sis n THR 7 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sis n THR 8 N 1.97 1.61 -3.29 4.28 -2.24 -1.26 -4.93 114.28 110.43 1sis n THR 8 Ca 0.08 -0.54 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 1sis n THR 8 Cb 0.40 -1.64 -0.07 0.00 -2.10 0.00 0.00 70.33 66.92 1sis n THR 8 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sis s ASP 9 N -6.85 6.53 0.00 3.42 2.15 -1.21 -4.95 116.67 115.76 1sis s ASP 9 Ca -0.30 0.64 0.05 0.00 0.43 0.00 0.00 52.55 53.37 1sis s ASP 9 Cb 0.08 -2.28 0.33 0.00 -0.30 0.00 0.00 42.92 40.76 1sis s ASP 9 CO 0.65 -0.15 0.76 -0.81 -0.17 0.00 0.00 175.17 175.46 1sis n PRO 10 N 4.66 0.44 -0.00 4.34 -0.04 -1.26 -1.53 135.00 141.62 1sis n PRO 10 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1sis n PRO 10 Cb 0.51 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.69 0.27 -0.27 3.54 5.15 -1.26 -4.66 115.26 117.33 1sis n ASN 11 Ca 0.04 -0.57 0.09 0.00 -0.60 0.00 0.00 54.58 53.55 1sis n ASN 11 Cb 0.02 1.00 0.34 0.00 -0.53 0.00 0.00 39.78 40.61 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 0.00 0.76 -0.99 1.20 4.05 -1.55 -0.09 114.93 118.30 1sis h MET 12 Ca 0.00 -0.05 0.15 0.00 -0.28 0.00 0.00 59.70 59.52 1sis h MET 12 Cb 0.09 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 30.62 1sis h MET 12 CO 0.00 0.50 0.62 0.00 0.23 0.00 0.00 176.91 178.26 1sis h ALA 13 N 1.58 1.61 -0.31 0.39 0.00 -1.83 0.64 119.26 121.34 1sis h ALA 13 Ca 0.42 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1sis h ALA 13 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sis h ALA 13 CO -0.18 0.10 -0.35 0.87 0.00 0.00 0.00 179.25 179.69 1sis h LYS 14 N 0.89 0.79 -0.06 0.00 6.56 -1.36 -1.29 116.57 122.10 1sis h LYS 14 Ca 0.52 -0.43 0.01 0.00 -1.06 0.00 0.00 60.65 59.70 1sis h LYS 14 Cb 0.65 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 1sis h LYS 14 CO -0.30 1.06 -0.03 0.87 -2.06 0.00 0.00 179.45 178.99 1sis h LYS 15 N 0.56 -0.03 -0.71 3.15 1.57 -0.33 -0.48 116.57 120.30 1sis h LYS 15 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1sis h LYS 15 Cb 0.93 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1sis h LYS 15 CO 0.08 -0.02 0.36 0.00 -0.57 0.00 0.00 179.45 179.30 1sis h ARG 17 N 0.98 -0.63 0.00 0.00 9.65 -0.88 -2.88 114.38 120.62 1sis h ARG 17 Ca 0.24 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1sis h ARG 17 Cb 0.09 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1sis h ARG 17 CO -0.03 -0.42 -0.17 -0.44 2.80 0.00 0.00 179.97 181.70 1sis h ASP 18 N -0.66 0.00 -0.44 -3.80 3.32 -1.10 0.54 116.42 114.29 1sis h ASP 18 Ca -0.05 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.06 1sis h ASP 18 Cb 0.53 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1sis h ASP 18 CO 0.07 0.17 0.11 0.00 -1.72 0.00 0.00 179.24 177.87 1sis n GLY 21 N 0.29 0.38 0.00 0.00 0.00 -0.41 -2.34 105.19 103.11 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 -1.76 0.98 1.36 -0.02 0.00 -0.07 -4.89 105.19 100.79 1sis n GLY 22 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1sis n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sis n ASN 23 N 0.00 1.76 -4.72 1.61 4.13 -0.99 -4.85 115.26 112.20 1sis n ASN 23 Ca 0.00 -2.92 -0.29 0.00 1.68 0.00 0.00 54.58 53.05 1sis n ASN 23 Cb 0.00 -0.41 0.15 0.00 -1.54 0.00 0.00 39.78 37.98 1sis n ASN 23 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1sis s GLY 24 N -2.85 1.57 -0.15 7.41 0.00 -1.17 -3.99 107.32 108.14 1sis s GLY 24 Ca 0.37 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 1sis s GLY 24 CO -0.09 0.07 0.12 0.54 0.00 0.00 0.00 173.10 173.74 1sis s LYS 25 N -5.21 0.06 -0.35 2.90 1.02 -0.38 -4.75 119.74 113.03 1sis s LYS 25 Ca 0.65 0.09 -0.26 0.00 0.02 0.00 0.00 55.97 56.47 1sis s LYS 25 Cb -0.15 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.78 1sis s LYS 25 CO 0.55 -0.59 0.95 0.00 -0.92 0.00 0.00 175.35 175.34 1sis n PHE 27 N 6.74 3.37 0.00 0.00 3.01 0.37 -4.97 117.46 125.98 1sis n PHE 27 Ca 0.08 -3.74 0.00 0.00 1.01 0.00 0.00 57.45 54.80 1sis n PHE 27 Cb 0.48 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 1.33 1.56 0.23 1.37 0.00 -1.26 -1.95 105.19 106.47 1sis n GLY 28 Ca 0.27 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.50 1sis n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sis h PRO 29 N 0.00 0.00 -6.67 1.61 0.13 -1.96 -3.40 132.00 121.71 1sis h PRO 29 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1sis h PRO 29 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1sis h PRO 29 CO 0.00 0.05 -0.88 -0.65 -0.23 0.00 0.00 178.00 176.29 1sis s GLN 30 N -3.36 1.88 -0.32 0.86 -0.21 -0.82 -1.26 119.66 116.43 1sis s GLN 30 Ca 0.05 -1.04 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 1sis s GLN 30 Cb 0.07 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 1sis s GLN 30 CO 0.64 0.52 0.48 0.00 -2.12 0.00 0.00 175.29 174.81 1sis s LEU 32 N 2.30 2.35 0.52 0.00 1.02 -0.80 -1.24 118.68 122.82 1sis s LEU 32 Ca 0.18 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.86 1sis s LEU 32 Cb -0.16 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 1sis s LEU 32 CO 0.12 0.23 0.82 0.00 0.02 0.00 0.00 176.35 177.54 1sis n ASN 34 N -2.37 5.88 0.00 0.00 2.04 -1.26 -4.87 115.26 114.68 1sis n ASN 34 Ca 0.02 -2.83 0.00 0.00 -0.44 0.00 0.00 54.58 51.34 1sis n ASN 34 Cb 0.56 -1.28 0.00 0.00 -2.53 0.00 0.00 39.78 36.54 1sis n ASN 34 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68