#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 3.44 0.01 -5.58 1.43 -1.26 -0.40 118.68 116.32 1ayj s LEU 3 Ca 0.00 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1ayj s LEU 3 Cb 0.00 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 1ayj s LEU 3 CO 0.00 -0.72 -0.02 0.00 0.23 0.00 0.00 176.35 175.84 1ayj s GLU 5 N -0.75 4.34 0.04 0.00 8.01 -1.26 -1.01 118.70 128.07 1ayj s GLU 5 Ca -0.08 0.85 0.02 0.00 0.01 0.00 0.00 54.97 55.78 1ayj s GLU 5 Cb -0.05 -3.29 -0.02 0.00 -4.31 0.00 0.00 34.13 26.45 1ayj s GLU 5 CO -0.00 0.50 -0.08 0.50 0.01 0.00 0.00 175.26 176.18 1ayj s ARG 6 N -0.69 0.54 0.20 1.61 3.52 -0.06 -4.98 118.95 119.09 1ayj s ARG 6 Ca 0.32 -0.75 -0.32 0.00 -0.13 0.00 0.00 55.73 54.85 1ayj s ARG 6 Cb -0.20 -0.33 -0.12 0.00 -1.56 0.00 0.00 34.95 32.75 1ayj s ARG 6 CO 0.20 0.06 1.74 -1.25 -0.81 0.00 0.00 175.30 175.24 1ayj s PRO 7 N -1.55 4.13 0.16 5.12 0.04 -1.26 -0.50 135.00 141.14 1ayj s PRO 7 Ca -0.09 2.61 -0.31 0.00 0.04 0.00 0.00 61.00 63.25 1ayj s PRO 7 Cb -0.10 -3.14 -0.17 0.00 0.04 0.00 0.00 34.50 31.13 1ayj s PRO 7 CO 0.00 -0.77 0.68 -1.13 0.04 0.00 0.00 177.00 175.83 1ayj n SER 8 N 4.21 -0.80 -0.18 6.66 3.41 0.14 -4.64 113.62 122.41 1ayj n SER 8 Ca 0.16 1.14 -0.05 0.00 -0.26 0.00 0.00 58.87 59.86 1ayj n SER 8 Cb 0.36 -0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 1ayj n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ayj n GLY 9 N 1.86 -1.15 0.00 5.00 0.00 -1.26 -2.70 105.19 106.94 1ayj n GLY 9 Ca 0.18 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -4.51 0.00 -1.55 2.61 -2.24 -1.26 -4.68 114.28 102.65 1ayj n THR 10 Ca 0.01 0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.65 1ayj n THR 10 Cb 0.11 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.53 2.87 -2.28 4.78 -0.00 -1.14 -4.81 117.44 115.34 1ayj n TRP 11 Ca 0.00 -2.42 -0.43 0.00 -0.00 0.00 0.00 57.50 54.65 1ayj n TRP 11 Cb 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 31.31 29.10 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 7.12 4.89 -0.66 5.87 7.64 -1.10 -3.82 113.62 133.57 1ayj n SER 12 Ca 0.51 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1ayj n SER 12 Cb 0.40 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.14 2.14 3.72 0.23 0.00 -1.26 -4.99 105.19 108.18 1ayj n GLY 13 Ca 0.42 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1ayj n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ayj s VAL 14 N -2.89 2.61 -0.21 1.61 1.01 -1.26 -1.07 120.40 120.21 1ayj s VAL 14 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1ayj s VAL 14 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1ayj s VAL 14 CO 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 175.10 174.87 1ayj n GLY 16 N 1.41 0.95 2.94 0.00 0.00 -1.25 -4.85 105.19 104.39 1ayj n GLY 16 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 1.76 0.08 1.61 3.84 -1.26 -5.06 114.94 115.91 1ayj s ASN 17 Ca 0.00 -0.25 -0.21 0.00 0.21 0.00 0.00 52.86 52.60 1ayj s ASN 17 Cb 0.00 -0.74 -0.07 0.00 -0.55 0.00 0.00 41.25 39.89 1ayj s ASN 17 CO 0.00 -0.05 1.36 -1.13 -2.79 0.00 0.00 177.10 174.48 1ayj h ASN 18 N 7.54 -1.20 -0.42 -4.21 -0.73 -1.88 -2.88 115.58 111.80 1ayj h ASN 18 Ca -0.31 0.16 0.06 0.00 1.87 0.00 0.00 56.30 58.07 1ayj h ASN 18 Cb 1.16 0.49 -0.05 0.00 0.27 0.00 0.00 38.32 40.18 1ayj h ASN 18 CO 0.43 -0.27 0.12 -1.13 -0.37 0.00 0.00 177.43 176.21 1ayj h ASN 19 N -0.28 0.09 0.65 1.15 -1.24 -1.97 0.12 115.58 114.11 1ayj h ASN 19 Ca 0.04 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 1ayj h ASN 19 Cb 0.39 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 1ayj h ASN 19 CO -0.37 0.08 -0.39 0.00 -1.29 0.00 0.00 177.43 175.46 1ayj h ALA 20 N 1.30 -1.01 -0.26 1.57 0.00 -1.96 0.80 119.26 119.69 1ayj h ALA 20 Ca 0.20 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ayj h ALA 20 Cb 0.22 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1ayj h ALA 20 CO -0.23 -1.08 -0.30 0.00 0.00 0.00 0.00 179.25 177.64 1ayj h LYS 22 N -0.30 -0.53 0.11 0.00 3.64 -0.72 0.88 116.57 119.66 1ayj h LYS 22 Ca 0.14 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ayj h LYS 22 Cb 0.52 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ayj h LYS 22 CO -0.43 -0.36 -0.16 -0.97 -2.27 0.00 0.00 179.45 175.26 1ayj h ASN 23 N -0.55 -0.46 -0.76 4.20 -1.24 -0.46 -1.47 115.58 114.85 1ayj h ASN 23 Ca -0.01 0.04 0.17 0.00 0.71 0.00 0.00 56.30 57.21 1ayj h ASN 23 Cb 0.56 0.16 -0.14 0.00 0.73 0.00 0.00 38.32 39.63 1ayj h ASN 23 CO -0.21 -0.20 -0.07 -0.61 -1.29 0.00 0.00 177.43 175.05 1ayj h GLN 24 N -0.29 0.05 0.25 6.67 -0.00 -0.78 0.38 115.11 121.40 1ayj h GLN 24 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1ayj h GLN 24 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1ayj h GLN 24 CO -0.05 0.04 -0.27 0.00 0.00 0.00 0.00 178.83 178.55 1ayj h ILE 26 N -0.52 0.00 0.04 0.00 3.07 -0.45 0.23 117.51 119.87 1ayj h ILE 26 Ca -0.03 -0.45 -0.00 0.00 1.55 0.00 0.00 64.86 65.93 1ayj h ILE 26 Cb 0.46 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1ayj h ILE 26 CO -0.04 0.00 -0.02 -1.13 -1.05 0.00 0.00 178.15 175.91 1ayj h ASN 27 N 0.00 -0.05 0.00 2.16 -0.73 -0.16 -3.40 115.58 113.40 1ayj h ASN 27 Ca 0.00 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.65 1ayj h ASN 27 Cb 0.61 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.21 1ayj h ASN 27 CO 0.00 0.68 0.00 0.18 -0.37 0.00 0.00 177.43 177.92 1ayj n LEU 28 N -4.74 0.41 0.00 0.34 4.32 -0.09 -4.90 117.00 112.33 1ayj n LEU 28 Ca -0.06 0.57 -0.25 0.00 -0.02 0.00 0.00 56.01 56.25 1ayj n LEU 28 Cb 0.28 -0.39 0.15 0.00 -1.62 0.00 0.00 43.42 41.84 1ayj n LEU 28 CO 0.21 -0.39 0.68 -1.84 -1.22 0.00 0.00 177.39 174.83 1ayj n GLU 29 N -1.68 -0.61 -0.19 3.23 0.00 0.79 -5.02 120.64 117.16 1ayj n GLU 29 Ca 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 57.16 54.87 1ayj n GLU 29 Cb 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 31.44 30.64 1ayj n GLU 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ayj n LYS 30 N -3.21 2.76 -0.93 3.44 4.76 -1.26 -4.00 118.16 119.72 1ayj n LYS 30 Ca 0.16 -2.17 -0.35 0.00 -2.87 0.00 0.00 58.31 53.08 1ayj n LYS 30 Cb 0.57 -1.37 0.08 0.00 -1.84 0.00 0.00 35.03 32.46 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 -0.13 -3.90 -0.09 7.82 0.00 -1.26 -4.99 120.51 117.96 1ayj n ALA 31 Ca 0.12 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1ayj n ALA 31 Cb 0.52 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 1ayj n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ayj n ARG 32 N 0.38 0.51 -3.92 0.00 5.12 0.41 -4.58 116.66 114.57 1ayj n ARG 32 Ca 0.03 0.39 -0.21 0.00 -1.93 0.00 0.00 57.85 56.12 1ayj n ARG 32 Cb 0.54 -1.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 1ayj n ARG 32 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1ayj s HIS 33 N -2.53 2.97 0.00 -1.55 3.76 -1.19 -4.97 115.29 111.78 1ayj s HIS 33 Ca -0.25 -0.24 -0.19 0.00 -0.15 0.00 0.00 55.06 54.23 1ayj s HIS 33 Cb 0.05 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 32.12 1ayj s HIS 33 CO 0.38 0.30 0.43 0.20 -0.85 0.00 0.00 174.74 175.20 1ayj s GLY 34 N -3.94 -0.29 0.15 -2.22 0.00 -1.26 -0.61 107.32 99.15 1ayj s GLY 34 Ca 0.38 0.52 -0.25 0.00 0.00 0.00 0.00 44.72 45.37 1ayj s GLY 34 CO 0.26 0.26 0.97 -0.45 0.00 0.00 0.00 173.10 174.14 1ayj s SER 35 N -1.57 -0.17 -0.57 1.64 0.15 -0.06 -4.33 113.70 108.78 1ayj s SER 35 Ca -0.10 -0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 1ayj s SER 35 Cb -0.02 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 64.92 1ayj s SER 35 CO 0.03 -0.89 0.42 0.00 1.20 0.00 0.00 173.24 174.00 1ayj s ASN 37 N 1.67 6.68 0.00 0.00 2.47 -0.38 -4.78 114.94 120.60 1ayj s ASN 37 Ca 0.12 1.14 0.00 0.00 0.42 0.00 0.00 52.86 54.55 1ayj s ASN 37 Cb -0.21 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1ayj s ASN 37 CO -0.04 -0.21 0.00 0.00 -3.72 0.00 0.00 177.10 173.14 1ayj n TYR 38 N -0.50 0.00 -1.44 0.43 9.36 -1.26 -0.40 117.16 123.35 1ayj n TYR 38 Ca 0.02 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.27 1ayj n TYR 38 Cb 0.53 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 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 -2.41 -1.00 2.97 0.31 -1.26 -4.33 118.33 112.61 1ayj n VAL 39 Ca 0.00 1.28 -0.33 0.00 -0.01 0.00 0.00 64.34 65.28 1ayj n VAL 39 Cb 0.00 -2.11 0.12 0.00 -0.91 0.00 0.00 33.84 30.94 1ayj n VAL 39 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1ayj n PHE 40 N -2.81 0.18 -0.05 3.52 -1.74 -1.26 -3.85 117.46 111.45 1ayj n PHE 40 Ca -0.01 0.35 -0.15 0.00 -0.56 0.00 0.00 57.45 57.08 1ayj n PHE 40 Cb 0.48 -1.98 -0.13 0.00 1.52 0.00 0.00 39.48 39.38 1ayj n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1ayj h PRO 41 N -1.11 0.05 -5.38 3.97 0.13 -2.01 -3.49 132.00 124.17 1ayj h PRO 41 Ca -0.45 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 63.99 1ayj h PRO 41 Cb 1.30 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 1ayj h PRO 41 CO 0.42 0.99 -0.57 0.00 -0.23 0.00 0.00 178.00 178.61 1ayj s ALA 42 N -2.48 3.30 0.09 -0.56 0.00 -1.25 -5.10 121.76 115.76 1ayj s ALA 42 Ca -0.18 -1.55 -0.31 0.00 0.00 0.00 0.00 51.96 49.92 1ayj s ALA 42 Cb -0.02 0.27 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1ayj s ALA 42 CO 0.71 -0.14 1.66 -1.01 0.00 0.00 0.00 175.76 176.97 1ayj s HIS 43 N -2.91 2.52 -0.03 0.00 3.76 -1.26 -4.69 115.29 112.68 1ayj s HIS 43 Ca 0.25 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.57 1ayj s HIS 43 Cb 0.06 -3.98 -0.01 0.00 1.11 0.00 0.00 32.58 29.76 1ayj s HIS 43 CO 0.13 -3.89 -0.22 -1.59 -0.85 0.00 0.00 174.74 168.32 1ayj s LYS 44 N 2.35 1.90 -0.67 1.40 -2.85 0.47 -0.53 119.74 121.80 1ayj s LYS 44 Ca 0.74 -0.77 -0.27 0.00 -1.00 0.00 0.00 55.97 54.67 1ayj s LYS 44 Cb -0.41 -1.76 0.01 0.00 -2.06 0.00 0.00 37.83 33.61 1ayj s LYS 44 CO 0.32 0.42 1.47 0.00 0.10 0.00 0.00 175.35 177.66 1ayj s ILE 46 N 6.72 4.90 0.05 0.00 -1.09 0.28 -0.68 121.20 131.37 1ayj s ILE 46 Ca 0.47 0.80 0.03 0.00 -2.23 0.00 0.00 60.65 59.73 1ayj s ILE 46 Cb -0.10 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1ayj s ILE 46 CO 0.19 0.31 -0.10 0.00 -1.23 0.00 0.00 174.94 174.11 1ayj s TYR 48 N -1.24 3.00 0.17 0.00 1.51 0.22 -0.88 117.35 120.13 1ayj s TYR 48 Ca -0.06 -1.25 0.11 0.00 -1.01 0.00 0.00 57.07 54.85 1ayj s TYR 48 Cb -0.09 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1ayj s TYR 48 CO 0.01 -0.65 -0.23 -0.06 -1.11 0.00 0.00 175.55 173.51 1ayj s PHE 49 N 1.40 2.35 0.13 2.71 0.40 -0.18 -0.45 117.98 124.35 1ayj s PHE 49 Ca 0.03 -0.34 -0.33 0.00 -0.60 0.00 0.00 56.93 55.69 1ayj s PHE 49 Cb -0.15 -1.20 -0.12 0.00 0.51 0.00 0.00 43.02 42.05 1ayj s PHE 49 CO -0.04 0.45 1.71 -0.35 0.70 0.00 0.00 175.22 177.68 1ayj n PRO 50 N 0.46 2.44 0.00 0.24 -0.04 -1.26 -0.19 135.00 136.65 1ayj n PRO 50 Ca -0.14 0.88 0.14 0.00 -0.04 0.00 0.00 63.50 64.34 1ayj n PRO 50 Cb 0.55 -2.71 0.81 0.00 -0.04 0.00 0.00 33.50 32.11 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46