#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 1.44 3.89 5.00 0.00 -1.26 -4.95 105.19 109.31 2ajj n GLY 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ajj n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ajj s ASN 3 N -1.00 6.46 0.14 1.61 4.22 -1.26 -4.94 114.94 120.17 2ajj s ASN 3 Ca 0.00 0.93 0.00 0.00 -2.14 0.00 0.00 52.86 51.65 2ajj s ASN 3 Cb 0.00 -2.24 0.00 0.00 1.28 0.00 0.00 41.25 40.29 2ajj s ASN 3 CO 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 177.10 174.72 2ajj n TYR 4 N -1.27 -2.68 -0.22 1.54 9.36 -1.26 -4.97 117.16 117.67 2ajj n TYR 4 Ca 0.00 0.48 -0.04 0.00 3.32 0.00 0.00 57.90 61.66 2ajj n TYR 4 Cb 0.54 1.44 0.07 0.00 -0.63 0.00 0.00 39.34 40.76 2ajj n TYR 4 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2ajj h VAL 5 N 0.00 1.05 -0.97 2.97 2.07 -1.98 -1.18 116.25 118.21 2ajj h VAL 5 Ca 0.00 -0.25 0.21 0.00 0.82 0.00 0.00 66.70 67.48 2ajj h VAL 5 Cb 0.00 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 2ajj h VAL 5 CO 0.00 0.13 0.62 0.25 0.02 0.00 0.00 177.57 178.59 2ajj h LEU 6 N 0.73 0.57 -0.01 2.57 5.85 -1.98 0.68 115.31 123.72 2ajj h LEU 6 Ca 0.26 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2ajj h LEU 6 Cb 0.05 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ajj h LEU 6 CO -0.12 0.20 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.38 2ajj h ASP 7 N 0.56 0.04 -0.41 1.25 1.82 -1.64 -3.18 116.42 114.86 2ajj h ASP 7 Ca 0.53 -0.60 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2ajj h ASP 7 Cb 1.11 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 2ajj h ASP 7 CO -0.28 0.64 0.27 -0.07 -1.61 0.00 0.00 179.24 178.19 2ajj h LEU 8 N -0.55 0.35 -1.97 2.28 4.07 0.14 -1.68 115.31 117.94 2ajj h LEU 8 Ca -0.00 -0.00 0.31 0.00 0.08 0.00 0.00 57.88 58.27 2ajj h LEU 8 Cb 0.63 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 2ajj h LEU 8 CO 0.01 0.24 0.78 0.40 -1.08 0.00 0.00 178.44 178.78 2ajj h ILE 9 N 0.40 0.46 -0.80 1.22 2.04 0.29 0.30 117.51 121.42 2ajj h ILE 9 Ca 0.17 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.13 2ajj h ILE 9 Cb 0.17 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 2ajj h ILE 9 CO -0.04 0.00 0.44 0.10 0.00 0.00 0.00 178.15 178.65 2ajj h TYR 10 N 0.02 0.78 -0.48 1.37 -0.00 -1.44 0.47 116.97 117.69 2ajj h TYR 10 Ca 0.52 0.03 -0.13 0.00 0.00 0.00 0.00 58.73 59.15 2ajj h TYR 10 Cb 2.06 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 38.54 2ajj h TYR 10 CO -0.00 0.28 -0.22 1.03 -0.00 0.00 0.00 178.16 179.25 2ajj h SER 11 N 0.71 1.02 -0.47 0.10 0.87 -0.59 0.33 113.55 115.51 2ajj h SER 11 Ca 0.40 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2ajj h SER 11 Cb 0.43 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2ajj h SER 11 CO -0.28 1.19 0.22 -0.07 -0.53 0.00 0.00 176.83 177.36 2ajj h LEU 12 N 0.86 0.63 -0.41 2.23 3.38 -0.94 -2.32 115.31 118.74 2ajj h LEU 12 Ca 0.11 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2ajj h LEU 12 Cb 0.80 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ajj h LEU 12 CO 0.07 0.59 -0.49 -0.74 0.09 0.00 0.00 178.44 177.95 2ajj h HIS 13 N 0.62 0.98 -0.57 1.13 2.76 0.03 -2.93 115.15 117.17 2ajj h HIS 13 Ca 0.16 -0.33 0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2ajj h HIS 13 Cb 0.14 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2ajj h HIS 13 CO -0.01 1.12 0.38 -0.22 -1.30 0.00 0.00 177.93 177.91 2ajj h LYS 14 N 0.62 0.36 -0.24 5.26 3.11 -0.07 0.29 116.57 125.90 2ajj h LYS 14 Ca 0.03 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.72 2ajj h LYS 14 Cb 1.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2ajj h LYS 14 CO 0.11 0.24 -0.35 0.37 -2.81 0.00 0.00 179.45 177.01 2ajj h GLN 15 N 0.37 0.65 -0.58 1.90 4.15 -1.25 0.10 115.11 120.46 2ajj h GLN 15 Ca 0.26 -0.39 -0.08 0.00 0.77 0.00 0.00 58.65 59.22 2ajj h GLN 15 Cb 0.54 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 2ajj h GLN 15 CO -0.07 1.00 0.05 0.82 -1.93 0.00 0.00 178.83 178.70 2ajj h ILE 16 N 0.36 1.25 -0.36 2.39 1.08 -1.04 -2.64 117.51 118.55 2ajj h ILE 16 Ca 0.02 -1.03 -0.13 0.00 -0.39 0.00 0.00 64.86 63.32 2ajj h ILE 16 Cb 0.93 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2ajj h ILE 16 CO 0.08 0.38 -0.32 0.78 -0.69 0.00 0.00 178.15 178.38 2ajj h ASN 17 N 0.90 0.83 -0.73 1.72 4.21 -0.36 -0.42 115.58 121.72 2ajj h ASN 17 Ca 0.17 -0.34 0.09 0.00 1.21 0.00 0.00 56.30 57.43 2ajj h ASN 17 Cb 0.46 -0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 37.36 2ajj h ASN 17 CO 0.02 1.08 0.38 -0.09 -1.29 0.00 0.00 177.43 177.52 2ajj h ARG 18 N 0.67 0.63 0.11 0.81 9.65 -0.44 0.43 114.38 126.25 2ajj h ARG 18 Ca 0.07 -0.04 -0.29 0.00 -1.10 0.00 0.00 59.98 58.63 2ajj h ARG 18 Cb 0.86 -0.14 0.02 0.00 -1.39 0.00 0.00 29.97 29.32 2ajj h ARG 18 CO 0.08 0.42 -1.22 0.78 2.80 0.00 0.00 179.97 182.82 2ajj h GLY 19 N 0.65 0.60 0.97 2.80 0.00 -1.41 -2.86 103.07 103.81 2ajj h GLY 19 Ca 0.35 -1.27 0.01 0.00 0.00 0.00 0.00 47.33 46.43 2ajj h GLY 19 CO -0.26 1.11 0.15 -2.00 0.00 0.00 0.00 176.54 175.55 2ajj h LEU 20 N 0.23 0.25 -1.46 3.11 5.85 -0.26 -1.64 115.31 121.39 2ajj h LEU 20 Ca -0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ajj h LEU 20 Cb 1.89 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 2ajj h LEU 20 CO 0.22 0.18 -0.07 0.07 -0.34 0.00 0.00 178.44 178.51 2ajj h LYS 21 N 0.31 0.00 -0.02 1.25 5.09 -0.25 -3.01 116.57 119.94 2ajj h LYS 21 Ca 0.09 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.60 2ajj h LYS 21 Cb -0.02 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.33 2ajj h LYS 21 CO -0.04 0.07 -0.88 -0.22 -2.09 0.00 0.00 179.45 176.29 2ajj h LYS 22 N 0.00 0.64 -0.90 0.07 3.11 -1.10 0.85 116.57 119.25 2ajj h LYS 22 Ca -0.00 -0.66 0.03 0.00 -2.81 0.00 0.00 60.65 57.21 2ajj h LYS 22 Cb 0.54 0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 31.90 2ajj h LYS 22 CO 0.01 1.26 0.58 0.82 -2.81 0.00 0.00 179.45 179.31 2ajj h ILE 23 N 0.29 1.15 0.08 2.00 2.04 -1.19 0.90 117.51 122.77 2ajj h ILE 23 Ca -0.10 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.12 2ajj h ILE 23 Cb 1.55 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2ajj h ILE 23 CO 0.18 0.21 -1.13 0.58 0.00 0.00 0.00 178.15 177.98 2ajj h VAL 24 N 1.13 1.53 -0.71 1.67 2.07 -1.56 -2.94 116.25 117.44 2ajj h VAL 24 Ca 0.35 -3.01 -0.04 0.00 0.82 0.00 0.00 66.70 64.83 2ajj h VAL 24 Cb -0.01 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2ajj h VAL 24 CO -0.11 0.88 0.28 0.25 0.02 0.00 0.00 177.57 178.88 2ajj h LEU 25 N 0.08 0.98 0.00 2.57 5.85 -0.13 -3.34 115.31 121.31 2ajj h LEU 25 Ca -0.10 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2ajj h LEU 25 Cb 1.84 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.62 2ajj h LEU 25 CO 0.18 0.89 0.00 0.61 -0.34 0.00 0.00 178.44 179.78 2ajj n GLY 26 N -0.85 -0.49 2.85 3.75 0.00 0.25 -4.91 105.19 105.78 2ajj n GLY 26 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2ajj n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ajj s TRP 27 N -1.01 -0.21 -0.42 1.61 0.52 -1.11 -5.11 118.94 113.21 2ajj s TRP 27 Ca 0.00 0.64 0.03 0.00 0.02 0.00 0.00 56.10 56.80 2ajj s TRP 27 Cb 0.00 -0.24 0.03 0.00 -1.15 0.00 0.00 33.47 32.11 2ajj s TRP 27 CO 0.00 -0.29 0.61 0.00 0.02 0.00 0.00 176.95 177.28