#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajj n GLY 2 N 0.00 -1.03 7.00 0.23 0.00 -1.26 -5.15 105.19 104.98 2ajj n GLY 2 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2ajj n GLY 2 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ajj n ASN 3 N 0.17 -4.83 -0.04 1.61 2.85 -1.26 -4.29 115.26 109.47 2ajj n ASN 3 Ca -0.11 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.27 2ajj n ASN 3 Cb 0.73 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.72 2ajj n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ajj n TYR 4 N -1.46 0.00 -0.28 1.20 9.36 -1.26 -4.53 117.16 120.19 2ajj n TYR 4 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 2ajj n TYR 4 Cb 0.00 -0.31 0.26 0.00 -0.63 0.00 0.00 39.34 38.66 2ajj n TYR 4 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 2ajj h VAL 5 N -0.34 1.06 -0.96 2.97 -1.51 -1.99 -0.68 116.25 114.79 2ajj h VAL 5 Ca -0.19 -0.34 0.10 0.00 -1.23 0.00 0.00 66.70 65.04 2ajj h VAL 5 Cb 1.03 -0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.11 2ajj h VAL 5 CO -0.12 0.18 0.62 0.25 -1.23 0.00 0.00 177.57 177.27 2ajj h LEU 6 N 0.98 0.92 -0.11 4.19 6.46 -1.83 0.24 115.31 126.15 2ajj h LEU 6 Ca 0.37 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.14 2ajj h LEU 6 Cb 0.20 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2ajj h LEU 6 CO -0.14 0.54 -0.01 -0.78 -0.62 0.00 0.00 178.44 177.43 2ajj h ASP 7 N 1.01 0.21 -0.15 1.25 1.82 -1.34 -2.87 116.42 116.36 2ajj h ASP 7 Ca 0.45 -0.34 0.02 0.00 -0.39 0.00 0.00 57.03 56.77 2ajj h ASP 7 Cb 0.36 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2ajj h ASP 7 CO -0.20 0.50 0.11 0.25 -1.61 0.00 0.00 179.24 178.28 2ajj h LEU 8 N -0.08 0.10 -1.97 2.28 5.85 -0.44 -1.57 115.31 119.48 2ajj h LEU 8 Ca 0.03 -0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.95 2ajj h LEU 8 Cb 0.40 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2ajj h LEU 8 CO 0.01 0.07 0.56 0.40 -0.34 0.00 0.00 178.44 179.14 2ajj h ILE 9 N 0.12 0.52 -0.59 4.05 2.04 -0.34 0.48 117.51 123.77 2ajj h ILE 9 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 2ajj h ILE 9 Cb 0.11 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2ajj h ILE 9 CO -0.01 0.00 0.26 0.10 0.00 0.00 0.00 178.15 178.50 2ajj h TYR 10 N 0.00 0.47 -0.32 1.37 -0.00 -1.40 0.47 116.97 117.56 2ajj h TYR 10 Ca 0.33 0.03 -0.17 0.00 0.00 0.00 0.00 58.73 58.91 2ajj h TYR 10 Cb 1.44 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 38.05 2ajj h TYR 10 CO 0.00 0.17 -0.49 1.03 -0.00 0.00 0.00 178.16 178.87 2ajj h SER 11 N 0.48 0.95 -0.71 0.10 0.87 -1.10 -2.47 113.55 111.67 2ajj h SER 11 Ca 0.29 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2ajj h SER 11 Cb 0.29 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2ajj h SER 11 CO -0.25 1.27 0.40 0.25 -0.53 0.00 0.00 176.83 177.97 2ajj h LEU 12 N 0.68 0.89 -1.05 2.23 5.85 -1.01 -1.84 115.31 121.07 2ajj h LEU 12 Ca 0.03 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2ajj h LEU 12 Cb 1.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2ajj h LEU 12 CO 0.11 0.72 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.72 2ajj h HIS 13 N 1.01 0.00 -0.78 1.25 2.76 0.07 -2.97 115.15 116.49 2ajj h HIS 13 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2ajj h HIS 13 Cb 0.02 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 2ajj h HIS 13 CO 0.01 0.47 0.50 0.87 -1.30 0.00 0.00 177.93 178.47 2ajj h LYS 14 N 0.00 1.04 -0.58 5.26 1.79 -0.86 0.80 116.57 124.02 2ajj h LYS 14 Ca -0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 2ajj h LYS 14 Cb 0.84 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2ajj h LYS 14 CO 0.06 0.71 0.32 1.96 -1.08 0.00 0.00 179.45 181.42 2ajj h GLN 15 N 1.07 0.81 -0.19 3.15 4.20 -1.49 -1.27 115.11 121.39 2ajj h GLN 15 Ca 0.29 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 2ajj h GLN 15 Cb -0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2ajj h GLN 15 CO -0.06 0.62 -0.41 0.82 -0.67 0.00 0.00 178.83 179.13 2ajj h ILE 16 N 0.79 1.31 -0.68 2.54 2.04 -1.43 -2.97 117.51 119.11 2ajj h ILE 16 Ca 0.21 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2ajj h ILE 16 Cb 0.04 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2ajj h ILE 16 CO -0.03 0.48 0.23 0.78 0.00 0.00 0.00 178.15 179.61 2ajj h ASN 17 N 0.37 0.95 -0.17 1.72 2.35 -0.22 0.22 115.58 120.80 2ajj h ASN 17 Ca 0.03 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2ajj h ASN 17 Cb 0.88 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2ajj h ASN 17 CO 0.07 0.88 0.06 0.03 -1.65 0.00 0.00 177.43 176.82 2ajj h ARG 18 N 1.00 0.26 0.00 0.81 3.08 -1.10 0.77 114.38 119.20 2ajj h ARG 18 Ca 0.22 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2ajj h ARG 18 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2ajj h ARG 18 CO -0.01 0.37 -0.43 0.78 -1.07 0.00 0.00 179.97 179.61 2ajj h GLY 19 N 0.10 0.00 1.46 0.04 0.00 -1.40 -2.31 103.07 100.96 2ajj h GLY 19 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.11 2ajj h GLY 19 CO -0.00 0.00 -1.21 -2.00 0.00 0.00 0.00 176.54 173.32 2ajj h LEU 20 N 0.00 0.63 -0.04 3.11 5.85 -0.17 -3.26 115.31 121.42 2ajj h LEU 20 Ca -0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2ajj h LEU 20 Cb 0.78 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2ajj h LEU 20 CO 0.06 1.44 -0.00 0.50 -0.34 0.00 0.00 178.44 180.10 2ajj h LYS 21 N 0.17 0.08 -0.20 1.25 3.11 0.72 -2.92 116.57 118.78 2ajj h LYS 21 Ca -0.15 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.72 2ajj h LYS 21 Cb 1.90 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.12 2ajj h LYS 21 CO 0.21 0.38 0.19 1.57 -2.81 0.00 0.00 179.45 178.99 2ajj h LYS 22 N -0.23 0.00 -0.09 1.90 5.09 -1.54 0.61 116.57 122.30 2ajj h LYS 22 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.73 2ajj h LYS 22 Cb 0.34 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.67 2ajj h LYS 22 CO 0.00 0.00 -0.03 0.82 -2.09 0.00 0.00 179.45 178.15 2ajj h ILE 23 N 0.00 1.31 0.03 0.07 2.04 -1.55 0.62 117.51 120.03 2ajj h ILE 23 Ca 0.10 -1.01 -0.22 0.00 1.00 0.00 0.00 64.86 64.73 2ajj h ILE 23 Cb 0.48 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2ajj h ILE 23 CO -0.00 0.28 -0.99 0.58 0.00 0.00 0.00 178.15 178.02 2ajj h VAL 24 N -0.17 1.51 -0.53 1.67 2.07 -1.28 -1.41 116.25 118.12 2ajj h VAL 24 Ca 0.02 -2.81 -0.11 0.00 0.82 0.00 0.00 66.70 64.62 2ajj h VAL 24 Cb 0.46 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2ajj h VAL 24 CO 0.01 0.82 -0.09 0.25 0.02 0.00 0.00 177.57 178.58 2ajj h LEU 25 N 0.10 0.97 0.20 2.57 5.85 0.21 -3.20 115.31 122.02 2ajj h LEU 25 Ca -0.07 -0.31 -0.28 0.00 0.84 0.00 0.00 57.88 58.07 2ajj h LEU 25 Cb 1.66 -0.26 0.03 0.00 0.37 0.00 0.00 40.66 42.46 2ajj h LEU 25 CO 0.15 1.08 -1.21 1.23 -0.34 0.00 0.00 178.44 179.35 2ajj h GLY 26 N 0.96 0.53 -7.38 3.75 0.00 -0.90 -3.42 103.07 96.60 2ajj h GLY 26 Ca 0.14 -1.32 -0.73 0.00 0.00 0.00 0.00 47.33 45.42 2ajj h GLY 26 CO 0.04 1.16 -0.37 0.86 0.00 0.00 0.00 176.54 178.23 2ajj s TRP 27 N -2.57 3.24 0.00 5.60 -0.11 -0.53 -5.09 118.94 119.49 2ajj s TRP 27 Ca -0.11 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 56.42 2ajj s TRP 27 Cb 0.03 -2.93 0.00 0.00 -1.50 0.00 0.00 33.47 29.07 2ajj s TRP 27 CO 0.90 -0.71 0.00 0.00 -4.62 0.00 0.00 176.95 172.52