#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayj s LEU 3 N 0.00 3.37 -0.18 3.14 1.02 -1.26 -4.61 118.68 120.16 1ayj s LEU 3 Ca 0.00 -0.21 -0.20 0.00 0.02 0.00 0.00 54.13 53.74 1ayj s LEU 3 Cb 0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1ayj s LEU 3 CO 0.00 0.19 0.60 0.00 0.02 0.00 0.00 176.35 177.16 1ayj s GLU 5 N 1.65 3.14 -0.29 0.00 2.02 -1.26 -1.80 118.70 122.16 1ayj s GLU 5 Ca 0.28 -0.17 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 1ayj s GLU 5 Cb -0.16 -4.23 -0.01 0.00 0.10 0.00 0.00 34.13 29.83 1ayj s GLU 5 CO 0.11 -2.22 0.73 0.50 0.02 0.00 0.00 175.26 174.40 1ayj s ARG 6 N 5.86 4.00 -0.05 1.61 3.52 0.42 -4.88 118.95 129.43 1ayj s ARG 6 Ca 0.39 0.56 -0.20 0.00 -0.13 0.00 0.00 55.73 56.35 1ayj s ARG 6 Cb -0.08 -3.70 -0.15 0.00 -1.56 0.00 0.00 34.95 29.45 1ayj s ARG 6 CO 0.15 -0.59 0.84 -1.00 -0.81 0.00 0.00 175.30 173.89 1ayj h PRO 7 N 8.04 -0.22 -5.62 5.12 0.13 -1.84 -0.84 132.00 136.76 1ayj h PRO 7 Ca -0.25 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.49 1ayj h PRO 7 Cb 1.10 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1ayj h PRO 7 CO 0.85 0.19 1.26 -1.12 -0.23 0.00 0.00 178.00 178.94 1ayj s SER 8 N -5.44 5.48 0.00 1.44 0.01 -1.26 -4.62 113.70 109.31 1ayj s SER 8 Ca -0.12 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1ayj s SER 8 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ayj s SER 8 CO 0.45 -2.57 0.00 0.61 0.41 0.00 0.00 173.24 172.14 1ayj n GLY 9 N 5.96 1.89 0.50 3.44 0.00 -1.26 -4.95 105.19 110.77 1ayj n GLY 9 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 1ayj n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ayj n THR 10 N 0.00 0.24 -1.15 2.61 -2.24 -1.26 -4.83 114.28 107.65 1ayj n THR 10 Ca 0.00 0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.68 1ayj n THR 10 Cb 0.00 -1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 66.75 1ayj n THR 10 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1ayj n TRP 11 N -2.76 1.18 -1.99 4.78 -0.00 -1.26 -4.80 117.44 112.58 1ayj n TRP 11 Ca -0.01 -0.99 -0.41 0.00 -0.00 0.00 0.00 57.50 56.09 1ayj n TRP 11 Cb 0.05 -1.68 -0.00 0.00 -0.00 0.00 0.00 31.31 29.67 1ayj n TRP 11 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1ayj n SER 12 N 11.44 7.28 -0.68 5.87 7.64 -1.26 -4.65 113.62 139.26 1ayj n SER 12 Ca 0.46 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1ayj n SER 12 Cb 0.43 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1ayj n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ayj n GLY 13 N 2.27 1.97 3.70 0.23 0.00 -1.26 -4.99 105.19 107.11 1ayj n GLY 13 Ca 0.58 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1ayj n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ayj n VAL 14 N 0.00 0.10 0.12 1.61 0.31 -1.26 -3.90 118.33 115.31 1ayj n VAL 14 Ca 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1ayj n VAL 14 Cb 0.00 -1.96 0.10 0.00 -0.91 0.00 0.00 33.84 31.07 1ayj n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ayj n GLY 16 N 0.60 0.68 3.64 0.00 0.00 -1.26 -4.49 105.19 104.36 1ayj n GLY 16 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ayj n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ayj s ASN 17 N 0.00 -0.38 0.07 1.61 3.84 -1.26 -5.08 114.94 113.74 1ayj s ASN 17 Ca 0.00 0.68 -0.26 0.00 0.21 0.00 0.00 52.86 53.49 1ayj s ASN 17 Cb 0.00 0.84 -0.12 0.00 -0.55 0.00 0.00 41.25 41.42 1ayj s ASN 17 CO 0.00 -0.11 1.41 -1.13 -2.79 0.00 0.00 177.10 174.48 1ayj h ASN 18 N 4.57 -1.15 -0.67 -4.21 -0.73 -1.87 -1.06 115.58 110.46 1ayj h ASN 18 Ca -0.28 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.06 1ayj h ASN 18 Cb 1.18 0.41 -0.06 0.00 0.27 0.00 0.00 38.32 40.13 1ayj h ASN 18 CO 0.15 -0.45 0.37 -1.13 -0.37 0.00 0.00 177.43 176.01 1ayj h ASN 19 N -0.63 0.55 0.61 1.15 -1.24 -1.97 0.88 115.58 114.94 1ayj h ASN 19 Ca -0.02 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1ayj h ASN 19 Cb 0.60 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1ayj h ASN 19 CO -0.16 0.35 -0.38 0.00 -1.29 0.00 0.00 177.43 175.95 1ayj h ALA 20 N 1.35 -0.96 -0.33 1.57 0.00 -1.90 0.67 119.26 119.67 1ayj h ALA 20 Ca 0.30 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ayj h ALA 20 Cb 0.19 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1ayj h ALA 20 CO -0.18 -1.05 -0.29 0.00 0.00 0.00 0.00 179.25 177.72 1ayj h LYS 22 N -0.25 -0.37 0.13 0.00 3.64 -0.76 0.72 116.57 119.68 1ayj h LYS 22 Ca 0.16 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ayj h LYS 22 Cb 0.51 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1ayj h LYS 22 CO -0.48 -0.24 -0.31 -0.97 -2.27 0.00 0.00 179.45 175.18 1ayj h ASN 23 N -0.38 -0.92 -0.73 4.20 -0.73 -0.54 -1.63 115.58 114.86 1ayj h ASN 23 Ca 0.00 0.09 0.16 0.00 1.87 0.00 0.00 56.30 58.42 1ayj h ASN 23 Cb 0.40 0.33 -0.13 0.00 0.27 0.00 0.00 38.32 39.19 1ayj h ASN 23 CO -0.19 -0.35 -0.08 -0.61 -0.37 0.00 0.00 177.43 175.83 1ayj h GLN 24 N -0.48 0.05 0.51 6.67 -0.00 -0.84 0.34 115.11 121.35 1ayj h GLN 24 Ca -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1ayj h GLN 24 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 1ayj h GLN 24 CO -0.14 0.03 -0.41 0.00 0.00 0.00 0.00 178.83 178.31 1ayj h ILE 26 N -0.89 0.00 0.02 0.00 3.07 -0.47 0.17 117.51 119.41 1ayj h ILE 26 Ca -0.07 -0.43 -0.00 0.00 1.55 0.00 0.00 64.86 65.92 1ayj h ILE 26 Cb 0.75 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1ayj h ILE 26 CO 0.00 0.00 -0.01 -1.13 -1.05 0.00 0.00 178.15 175.96 1ayj h ASN 27 N 0.00 -0.02 0.03 2.16 -0.73 -0.23 -3.41 115.58 113.37 1ayj h ASN 27 Ca 0.00 -0.37 -0.00 0.00 1.87 0.00 0.00 56.30 57.80 1ayj h ASN 27 Cb 0.58 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1ayj h ASN 27 CO 0.00 0.66 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.64 1ayj h LEU 28 N -1.00 -0.03-10.75 0.34 4.07 -0.80 -3.46 115.31 103.68 1ayj h LEU 28 Ca -0.00 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.50 1ayj h LEU 28 Cb 0.39 0.01 0.11 0.00 1.08 0.00 0.00 40.66 42.25 1ayj h LEU 28 CO 0.00 -0.01 0.21 -1.83 -1.08 0.00 0.00 178.44 175.73 1ayj s GLU 29 N -1.99 1.32 -0.06 1.13 -1.05 0.58 -5.02 118.70 113.61 1ayj s GLU 29 Ca -0.01 -0.92 0.14 0.00 -0.15 0.00 0.00 54.97 54.03 1ayj s GLU 29 Cb 0.00 -2.18 0.45 0.00 -0.44 0.00 0.00 34.13 31.97 1ayj s GLU 29 CO 0.02 -1.77 1.38 1.63 0.95 0.00 0.00 175.26 177.46 1ayj n LYS 30 N -3.14 3.02 -1.09 -4.83 4.76 -1.26 -4.06 118.16 111.56 1ayj n LYS 30 Ca 0.15 -2.42 -0.36 0.00 -2.87 0.00 0.00 58.31 52.81 1ayj n LYS 30 Cb 0.60 -1.52 0.05 0.00 -1.84 0.00 0.00 35.03 32.32 1ayj n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ayj n ALA 31 N 0.50 -3.49 -0.04 7.82 0.00 -1.26 -4.98 120.51 119.06 1ayj n ALA 31 Ca 0.17 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1ayj n ALA 31 Cb 0.62 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1ayj n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ayj h ARG 32 N -0.70 0.00 -6.19 0.00 2.47 -1.38 -3.41 114.38 105.17 1ayj h ARG 32 Ca -0.44 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 57.77 1ayj h ARG 32 Cb 1.34 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.61 1ayj h ARG 32 CO 0.34 0.00 -0.52 -3.38 0.56 0.00 0.00 179.97 176.96 1ayj s HIS 33 N -1.64 2.98 0.09 3.04 -3.43 -1.24 -4.92 115.29 110.17 1ayj s HIS 33 Ca -0.07 -0.19 -0.11 0.00 -0.80 0.00 0.00 55.06 53.89 1ayj s HIS 33 Cb 0.01 -1.48 0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1ayj s HIS 33 CO 0.11 0.44 0.24 0.20 -2.00 0.00 0.00 174.74 173.74 1ayj s GLY 34 N -3.86 -0.01 -0.21 -1.38 0.00 -1.26 -0.68 107.32 99.93 1ayj s GLY 34 Ca 0.35 -0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 1ayj s GLY 34 CO 0.24 -0.64 1.06 -0.56 0.00 0.00 0.00 173.10 173.20 1ayj s SER 35 N -2.76 -0.35 0.12 1.64 0.01 -0.06 -4.44 113.70 107.86 1ayj s SER 35 Ca 0.03 0.49 -0.28 0.00 1.31 0.00 0.00 55.95 57.50 1ayj s SER 35 Cb 0.04 0.43 -0.06 0.00 0.21 0.00 0.00 66.02 66.63 1ayj s SER 35 CO -0.10 -0.25 0.90 0.00 0.41 0.00 0.00 173.24 174.20 1ayj s ASN 37 N -0.32 3.99 0.00 0.00 2.47 0.10 -4.81 114.94 116.37 1ayj s ASN 37 Ca 0.43 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.08 1ayj s ASN 37 Cb -0.23 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.99 1ayj s ASN 37 CO 0.28 0.13 0.00 0.00 -3.72 0.00 0.00 177.10 173.79 1ayj n TYR 38 N 0.28 0.00 -0.88 0.43 9.36 -1.26 -0.62 117.16 124.47 1ayj n TYR 38 Ca -0.12 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.13 1ayj n TYR 38 Cb 0.55 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.24 1ayj n TYR 38 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ayj n VAL 39 N 0.00 -1.33 -1.45 2.97 0.31 -1.26 -4.41 118.33 113.16 1ayj n VAL 39 Ca 0.00 0.75 -0.37 0.00 -0.01 0.00 0.00 64.34 64.71 1ayj n VAL 39 Cb 0.00 -1.22 0.05 0.00 -0.91 0.00 0.00 33.84 31.76 1ayj n VAL 39 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ayj n PHE 40 N -2.51 -0.35 -0.07 3.52 -0.00 -1.26 -3.83 117.46 112.96 1ayj n PHE 40 Ca -0.02 0.41 -0.12 0.00 -0.00 0.00 0.00 57.45 57.72 1ayj n PHE 40 Cb 0.31 -1.99 -0.10 0.00 -0.00 0.00 0.00 39.48 37.70 1ayj n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ayj h PRO 41 N 0.12 0.00 -5.44 -7.13 0.13 -2.01 -3.49 132.00 114.18 1ayj h PRO 41 Ca -0.46 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 1ayj h PRO 41 Cb 1.38 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.39 1ayj h PRO 41 CO 0.47 0.80 -0.51 0.00 -0.23 0.00 0.00 178.00 178.53 1ayj s ALA 42 N -2.31 3.92 0.06 -0.56 0.00 -1.25 -5.09 121.76 116.53 1ayj s ALA 42 Ca -0.17 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.48 1ayj s ALA 42 Cb -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.96 1ayj s ALA 42 CO 0.55 -0.10 1.70 -1.01 0.00 0.00 0.00 175.76 176.89 1ayj s HIS 43 N -2.81 2.25 -0.02 0.00 3.76 -1.26 -4.65 115.29 112.55 1ayj s HIS 43 Ca 0.18 0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.34 1ayj s HIS 43 Cb 0.03 -4.01 -0.01 0.00 1.11 0.00 0.00 32.58 29.70 1ayj s HIS 43 CO 0.10 -4.12 -0.17 -1.59 -0.85 0.00 0.00 174.74 168.10 1ayj s LYS 44 N 2.96 1.48 -0.10 1.40 -2.85 0.21 -0.57 119.74 122.26 1ayj s LYS 44 Ca 0.76 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.82 1ayj s LYS 44 Cb -0.40 -1.39 -0.02 0.00 -2.06 0.00 0.00 37.83 33.96 1ayj s LYS 44 CO 0.33 0.34 1.17 0.00 0.10 0.00 0.00 175.35 177.30 1ayj s ILE 46 N 2.52 4.20 0.01 0.00 -1.09 0.32 -4.47 121.20 122.69 1ayj s ILE 46 Ca 0.54 -0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1ayj s ILE 46 Cb -0.22 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1ayj s ILE 46 CO 0.19 0.60 -0.09 0.00 -1.23 0.00 0.00 174.94 174.41 1ayj s TYR 48 N -0.54 3.03 0.06 0.00 1.51 0.15 -0.44 117.35 121.12 1ayj s TYR 48 Ca 0.00 -0.76 0.09 0.00 -1.01 0.00 0.00 57.07 55.39 1ayj s TYR 48 Cb -0.05 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1ayj s TYR 48 CO 0.00 -0.48 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.68 1ayj s PHE 49 N 1.53 2.44 0.55 2.71 0.40 -0.74 -0.83 117.98 124.03 1ayj s PHE 49 Ca 0.06 -0.33 0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1ayj s PHE 49 Cb -0.15 -1.40 1.55 0.00 0.51 0.00 0.00 43.02 43.53 1ayj s PHE 49 CO -0.00 0.24 2.20 -1.00 0.70 0.00 0.00 175.22 177.35 1ayj h PRO 50 N 4.44 0.00 0.00 0.24 0.13 -1.88 0.11 132.00 135.05 1ayj h PRO 50 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ayj h PRO 50 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ayj h PRO 50 CO 0.45 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.23