#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 3.68 -0.39 -5.58 1.43 -1.26 -0.53 118.68 116.02 1ayj s LEU 3 Ca 0.00 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 1ayj s LEU 3 Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1ayj s LEU 3 CO 0.00 -1.59 0.28 0.00 0.23 0.00 0.00 176.35 175.26 1ayj n GLU 5 N 5.12 2.12 -1.61 0.00 4.71 -1.26 -3.42 120.64 126.31 1ayj n GLU 5 Ca -0.11 -2.16 -0.43 0.00 -0.01 0.00 0.00 57.16 54.45 1ayj n GLU 5 Cb 0.47 -3.06 -0.03 0.00 -1.01 0.00 0.00 31.44 27.81 1ayj n GLU 5 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1ayj n ARG 6 N 6.51 2.09 0.00 3.49 0.63 0.13 -4.72 116.66 124.79 1ayj n ARG 6 Ca 0.51 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 1ayj n ARG 6 Cb 0.39 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 30.10 1ayj n ARG 6 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1ayj n PRO 7 N 8.56 0.00 -2.92 -0.14 -0.04 -1.26 -0.77 135.00 138.43 1ayj n PRO 7 Ca 0.29 0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 63.54 1ayj n PRO 7 Cb 0.44 -0.78 -0.05 0.00 -0.04 0.00 0.00 33.50 33.06 1ayj n PRO 7 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ayj s SER 8 N -1.64 6.73 0.00 3.54 0.01 -1.26 -4.58 113.70 116.50 1ayj s SER 8 Ca 0.00 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1ayj s SER 8 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1ayj s SER 8 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1ayj n GLY 9 N -0.77 -1.81 0.00 3.44 0.00 -1.26 -4.98 105.19 99.80 1ayj n GLY 9 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 -1.97 2.61 -2.24 -1.26 -4.75 114.28 106.66 1ayj n THR 10 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1ayj n THR 10 Cb 0.00 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 1ayj n THR 10 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ayj s TRP 11 N 0.19 1.68 -0.93 4.78 -0.11 -1.26 -4.85 118.94 118.44 1ayj s TRP 11 Ca 0.00 0.85 -0.00 0.00 1.22 0.00 0.00 56.10 58.17 1ayj s TRP 11 Cb 0.00 -3.96 0.31 0.00 -1.50 0.00 0.00 33.47 28.32 1ayj s TRP 11 CO 0.00 -1.84 1.48 0.43 -4.62 0.00 0.00 176.95 172.41 1ayj n SER 12 N 14.41 6.29 0.00 5.86 7.64 -1.26 -4.58 113.62 141.98 1ayj n SER 12 Ca 0.38 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.67 1ayj n SER 12 Cb 0.48 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 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 0.40 -1.01 3.72 0.23 0.00 -1.26 -4.93 105.19 102.34 1ayj n GLY 13 Ca 0.37 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 0.62 4.03 0.03 1.61 0.31 -1.26 -1.09 118.33 122.58 1ayj n VAL 14 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ayj n VAL 14 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 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 3.28 1.13 3.15 0.00 0.00 -1.26 -4.90 105.19 106.59 1ayj n GLY 16 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.10 -1.06 0.08 1.61 3.84 -1.26 -5.07 114.94 110.98 1ayj s ASN 17 Ca 0.00 0.48 -0.35 0.00 0.21 0.00 0.00 52.86 53.20 1ayj s ASN 17 Cb 0.00 1.81 -0.17 0.00 -0.55 0.00 0.00 41.25 42.34 1ayj s ASN 17 CO 0.00 -0.20 1.54 -1.13 -2.79 0.00 0.00 177.10 174.52 1ayj h ASN 18 N 7.91 -1.33 -0.33 -4.21 -0.73 -1.90 -2.13 115.58 112.85 1ayj h ASN 18 Ca -0.14 0.10 0.07 0.00 1.87 0.00 0.00 56.30 58.20 1ayj h ASN 18 Cb 1.17 0.44 -0.08 0.00 0.27 0.00 0.00 38.32 40.12 1ayj h ASN 18 CO 0.09 -0.66 -0.20 -1.13 -0.37 0.00 0.00 177.43 175.17 1ayj h ASN 19 N -1.00 -0.67 0.02 1.15 -1.24 -1.98 0.12 115.58 111.99 1ayj h ASN 19 Ca -0.07 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1ayj h ASN 19 Cb 0.86 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1ayj h ASN 19 CO -0.05 -0.23 -0.01 0.00 -1.29 0.00 0.00 177.43 175.85 1ayj h ALA 20 N 1.04 -0.03 -0.02 1.57 0.00 -1.98 0.78 119.26 120.63 1ayj h ALA 20 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ayj h ALA 20 Cb 0.42 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1ayj h ALA 20 CO -0.43 -0.44 -0.31 0.00 0.00 0.00 0.00 179.25 178.07 1ayj h LYS 22 N -0.45 -0.38 0.31 0.00 3.64 -0.70 0.34 116.57 119.34 1ayj h LYS 22 Ca 0.07 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ayj h LYS 22 Cb 0.54 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1ayj h LYS 22 CO -0.27 -0.25 -0.39 -0.97 -2.27 0.00 0.00 179.45 175.30 1ayj h ASN 23 N -0.39 -1.11 -0.85 4.20 -0.73 -0.55 -1.42 115.58 114.74 1ayj h ASN 23 Ca 0.03 0.10 0.17 0.00 1.87 0.00 0.00 56.30 58.46 1ayj h ASN 23 Cb 0.48 0.38 -0.10 0.00 0.27 0.00 0.00 38.32 39.34 1ayj h ASN 23 CO -0.34 -0.49 0.39 1.56 -0.37 0.00 0.00 177.43 178.19 1ayj h GLN 24 N -0.72 0.50 0.41 6.67 4.20 -0.74 0.33 115.11 125.76 1ayj h GLN 24 Ca -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1ayj h GLN 24 Cb 0.65 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1ayj h GLN 24 CO -0.09 0.33 -0.29 0.00 -0.67 0.00 0.00 178.83 178.10 1ayj h ILE 26 N -0.67 0.00 0.00 0.00 3.07 -0.45 0.89 117.51 120.35 1ayj h ILE 26 Ca -0.05 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1ayj h ILE 26 Cb 0.55 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 1ayj h ILE 26 CO 0.03 0.00 -0.12 -1.13 -1.05 0.00 0.00 178.15 175.88 1ayj h ASN 27 N 0.00 0.00 -0.17 2.16 -0.73 -0.32 -3.40 115.58 113.12 1ayj h ASN 27 Ca 0.00 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1ayj h ASN 27 Cb 0.42 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 1ayj h ASN 27 CO 0.00 0.51 -0.23 -0.07 -0.37 0.00 0.00 177.43 177.26 1ayj h LEU 28 N -0.89 0.50-10.42 0.34 4.07 -0.75 -3.44 115.31 104.73 1ayj h LEU 28 Ca 0.00 -0.51 -0.53 0.00 0.08 0.00 0.00 57.88 56.92 1ayj h LEU 28 Cb 0.12 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1ayj h LEU 28 CO 0.00 0.92 -0.25 -1.83 -1.08 0.00 0.00 178.44 176.20 1ayj s GLU 29 N -4.18 2.35 -0.06 1.13 1.03 0.30 -5.05 118.70 114.21 1ayj s GLU 29 Ca -0.14 -1.78 0.20 0.00 0.03 0.00 0.00 54.97 53.29 1ayj s GLU 29 Cb 0.06 -2.36 0.68 0.00 -0.80 0.00 0.00 34.13 31.71 1ayj s GLU 29 CO 0.78 -0.60 1.58 1.63 -1.33 0.00 0.00 175.26 177.32 1ayj n LYS 30 N -1.88 3.23 -0.85 -4.83 4.76 -1.26 -4.08 118.16 113.24 1ayj n LYS 30 Ca 0.05 -2.72 -0.35 0.00 -2.87 0.00 0.00 58.31 52.43 1ayj n LYS 30 Cb 0.63 -1.74 0.10 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.34 -4.24 -0.29 7.82 0.00 -1.26 -5.00 120.51 118.88 1ayj n ALA 31 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ayj n ALA 31 Cb 0.76 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.01 0.00 -3.80 0.00 5.12 -1.25 -4.62 116.66 112.10 1ayj n ARG 32 Ca 0.02 0.21 -0.22 0.00 -1.93 0.00 0.00 57.85 55.93 1ayj n ARG 32 Cb 0.60 -0.66 -0.04 0.00 -1.16 0.00 0.00 32.46 31.20 1ayj n ARG 32 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1ayj s HIS 33 N -0.71 2.74 0.14 -1.55 -3.43 -0.78 -4.91 115.29 106.79 1ayj s HIS 33 Ca 0.00 -0.44 -0.22 0.00 -0.80 0.00 0.00 55.06 53.61 1ayj s HIS 33 Cb 0.00 -1.95 0.06 0.00 -1.43 0.00 0.00 32.58 29.26 1ayj s HIS 33 CO 0.00 0.08 0.55 0.20 -2.00 0.00 0.00 174.74 173.57 1ayj s GLY 34 N -4.01 -0.52 -0.15 -1.38 0.00 -1.26 -0.75 107.32 99.25 1ayj s GLY 34 Ca 0.43 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 45.25 1ayj s GLY 34 CO 0.26 0.08 0.92 -0.56 0.00 0.00 0.00 173.10 173.80 1ayj s SER 35 N -2.66 -0.45 -1.36 1.64 0.01 -0.28 -4.31 113.70 106.29 1ayj s SER 35 Ca 0.01 0.55 -0.13 0.00 1.31 0.00 0.00 55.95 57.69 1ayj s SER 35 Cb -0.00 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1ayj s SER 35 CO -0.11 -0.38 2.41 0.00 0.41 0.00 0.00 173.24 175.56 1ayj s ASN 37 N 3.15 5.56 0.18 0.00 2.47 -1.15 -4.71 114.94 120.44 1ayj s ASN 37 Ca 0.55 2.47 -0.31 0.00 0.42 0.00 0.00 52.86 55.98 1ayj s ASN 37 Cb 0.15 -2.61 -0.10 0.00 -1.45 0.00 0.00 41.25 37.24 1ayj s ASN 37 CO -0.05 -1.35 1.57 -0.47 -3.72 0.00 0.00 177.10 173.09 1ayj s TYR 38 N -1.49 3.04 0.13 0.43 5.04 -1.26 -1.99 117.35 121.25 1ayj s TYR 38 Ca 0.71 0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 55.83 1ayj s TYR 38 Cb -0.33 -3.94 0.02 0.00 0.35 0.00 0.00 41.96 38.07 1ayj s TYR 38 CO 0.38 -3.45 0.37 0.08 -1.34 0.00 0.00 175.55 171.60 1ayj s VAL 39 N 1.02 0.08 0.61 3.14 1.01 -1.26 -4.85 120.40 120.15 1ayj s VAL 39 Ca 0.69 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 1ayj s VAL 39 Cb -0.44 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ayj s VAL 39 CO 0.33 -0.34 1.20 2.22 0.00 0.00 0.00 175.10 178.50 1ayj n PHE 40 N -0.21 1.64 -0.01 5.22 -1.74 -1.26 -0.55 117.46 120.55 1ayj n PHE 40 Ca -0.14 0.43 -0.17 0.00 -0.56 0.00 0.00 57.45 57.01 1ayj n PHE 40 Cb 0.63 -2.25 -0.12 0.00 1.52 0.00 0.00 39.48 39.27 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 0.71 0.23 -1.57 3.97 0.13 -2.01 -3.42 132.00 130.04 1ayj h PRO 41 Ca -0.50 -0.29 -0.47 0.00 -0.87 0.00 0.00 66.00 63.87 1ayj h PRO 41 Cb 1.34 0.09 -0.34 0.00 0.13 0.00 0.00 31.00 32.22 1ayj h PRO 41 CO 0.53 1.05 -0.99 0.00 -0.23 0.00 0.00 178.00 178.35 1ayj n ALA 42 N -2.59 1.54 -0.31 -0.56 0.00 -1.15 -5.10 120.51 112.34 1ayj n ALA 42 Ca -0.11 -2.97 0.02 0.00 0.00 0.00 0.00 53.44 50.38 1ayj n ALA 42 Cb 0.61 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 1ayj n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ayj n HIS 43 N 1.11 -0.85 -3.94 0.00 8.25 0.29 -4.52 115.22 115.56 1ayj n HIS 43 Ca 0.19 0.47 -0.10 0.00 -0.26 0.00 0.00 57.72 58.02 1ayj n HIS 43 Cb 0.59 -0.96 -0.10 0.00 1.12 0.00 0.00 29.99 30.63 1ayj n HIS 43 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ayj s LYS 44 N -3.84 0.41 -1.11 -0.41 1.02 -0.84 -4.04 119.74 110.93 1ayj s LYS 44 Ca 0.00 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.20 1ayj s LYS 44 Cb 0.00 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1ayj s LYS 44 CO 0.00 -0.08 1.80 0.00 -0.92 0.00 0.00 175.35 176.15 1ayj s ILE 46 N 8.08 4.93 0.05 0.00 -1.09 -0.93 -4.65 121.20 127.60 1ayj s ILE 46 Ca 0.61 1.64 0.02 0.00 -2.23 0.00 0.00 60.65 60.69 1ayj s ILE 46 Cb -0.01 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1ayj s ILE 46 CO 0.04 0.11 0.07 0.00 -1.23 0.00 0.00 174.94 173.94 1ayj s TYR 48 N -1.32 1.74 0.02 0.00 1.51 0.07 0.21 117.35 119.59 1ayj s TYR 48 Ca 0.27 -1.53 0.00 0.00 -1.01 0.00 0.00 57.07 54.80 1ayj s TYR 48 Cb -0.12 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1ayj s TYR 48 CO 0.19 -0.78 -0.03 -0.59 -1.11 0.00 0.00 175.55 173.23 1ayj s PHE 49 N 1.61 0.29 0.29 2.71 -0.71 -1.22 -1.86 117.98 119.09 1ayj s PHE 49 Ca 0.03 -0.42 -0.29 0.00 -1.04 0.00 0.00 56.93 55.21 1ayj s PHE 49 Cb -0.18 -0.20 -0.13 0.00 -1.21 0.00 0.00 43.02 41.30 1ayj s PHE 49 CO -0.15 -0.13 1.20 -2.30 -1.34 0.00 0.00 175.22 172.49 1ayj n PRO 50 N 1.88 1.73 0.00 1.99 -0.02 -1.26 -0.30 135.00 139.03 1ayj n PRO 50 Ca -0.21 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1ayj n PRO 50 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48