#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 3.06 -0.04 3.14 1.43 -1.26 -0.83 118.68 124.17 1ayj s LEU 3 Ca 0.00 2.21 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1ayj s LEU 3 Cb 0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 1ayj s LEU 3 CO 0.00 -2.64 -0.22 0.00 0.23 0.00 0.00 176.35 173.73 1ayj s GLU 5 N -0.20 3.82 0.08 0.00 8.01 -1.26 -2.11 118.70 127.03 1ayj s GLU 5 Ca -0.00 0.11 0.02 0.00 0.01 0.00 0.00 54.97 55.10 1ayj s GLU 5 Cb -0.11 -3.26 -0.04 0.00 -4.31 0.00 0.00 34.13 26.41 1ayj s GLU 5 CO 0.02 0.61 -0.06 1.03 0.01 0.00 0.00 175.26 176.87 1ayj s ARG 6 N -0.67 0.74 0.52 1.61 0.52 0.36 -5.01 118.95 117.02 1ayj s ARG 6 Ca 0.18 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 54.00 1ayj s ARG 6 Cb -0.14 -0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.08 1ayj s ARG 6 CO 0.07 -0.01 1.10 -1.25 0.02 0.00 0.00 175.30 175.23 1ayj s PRO 7 N -3.32 3.53 0.00 3.54 0.04 -1.26 -0.44 135.00 137.09 1ayj s PRO 7 Ca 0.06 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1ayj s PRO 7 Cb 0.02 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ayj s PRO 7 CO -0.04 -0.69 0.24 -1.13 0.04 0.00 0.00 177.00 175.42 1ayj n SER 8 N -1.14 -0.01 0.00 6.66 3.41 0.00 -4.72 113.62 117.81 1ayj n SER 8 Ca 0.11 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1ayj n SER 8 Cb 0.51 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.00 2.22 0.00 5.00 0.00 -1.26 -4.66 105.19 105.48 1ayj n GLY 9 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.59 2.61 -2.24 -1.26 -4.63 114.28 107.17 1ayj n THR 10 Ca 0.00 0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 61.87 1ayj n THR 10 Cb 0.00 -1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.73 1.70 -2.03 4.78 -0.00 -1.26 -4.82 117.44 114.09 1ayj n TRP 11 Ca 0.00 -0.99 -0.41 0.00 -0.00 0.00 0.00 57.50 56.10 1ayj n TRP 11 Cb 0.00 -2.26 -0.00 0.00 -0.00 0.00 0.00 31.31 29.05 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 14.52 6.85 -1.80 5.87 7.64 -1.26 -4.75 113.62 140.68 1ayj n SER 12 Ca 0.45 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1ayj n SER 12 Cb 0.45 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 2.43 0.67 3.72 0.23 0.00 -1.26 -5.13 105.19 105.84 1ayj n GLY 13 Ca 0.56 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.26 3.77 0.03 1.61 0.31 -1.26 -4.49 118.33 118.04 1ayj n VAL 14 Ca 0.01 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 1ayj n VAL 14 Cb 0.17 -1.55 0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 0.47 0.62 3.65 0.00 0.00 -1.26 -4.67 105.19 104.00 1ayj n GLY 16 Ca -0.04 0.00 -0.02 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 -0.35 0.08 1.61 3.84 -1.26 -5.09 114.94 113.76 1ayj s ASN 17 Ca 0.00 0.58 -0.34 0.00 0.21 0.00 0.00 52.86 53.31 1ayj s ASN 17 Cb 0.00 1.06 -0.17 0.00 -0.55 0.00 0.00 41.25 41.60 1ayj s ASN 17 CO 0.00 -0.09 1.52 -1.13 -2.79 0.00 0.00 177.10 174.61 1ayj h ASN 18 N 5.47 -1.28 -0.45 -4.21 -0.73 -1.87 -1.09 115.58 111.43 1ayj h ASN 18 Ca -0.28 0.10 0.08 0.00 1.87 0.00 0.00 56.30 58.07 1ayj h ASN 18 Cb 1.18 0.41 -0.07 0.00 0.27 0.00 0.00 38.32 40.11 1ayj h ASN 18 CO 0.20 -0.65 0.02 -1.13 -0.37 0.00 0.00 177.43 175.50 1ayj h ASN 19 N -0.99 -0.14 0.35 1.15 -1.24 -1.96 0.19 115.58 112.93 1ayj h ASN 19 Ca -0.07 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1ayj h ASN 19 Cb 0.84 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1ayj h ASN 19 CO -0.02 -0.04 -0.17 0.00 -1.29 0.00 0.00 177.43 175.91 1ayj h ALA 20 N 1.39 -0.47 -0.47 1.57 0.00 -1.93 -0.15 119.26 119.19 1ayj h ALA 20 Ca 0.22 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ayj h ALA 20 Cb 0.32 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1ayj h ALA 20 CO -0.35 -0.73 -0.29 0.00 0.00 0.00 0.00 179.25 177.88 1ayj h LYS 22 N -0.19 -0.45 0.10 0.00 3.64 -0.48 0.57 116.57 119.76 1ayj h LYS 22 Ca 0.21 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1ayj h LYS 22 Cb 0.52 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 1ayj h LYS 22 CO -0.58 -0.30 -0.40 -0.97 -2.27 0.00 0.00 179.45 174.92 1ayj h ASN 23 N -0.47 -1.21 -0.63 4.20 -1.24 -0.73 -1.04 115.58 114.46 1ayj h ASN 23 Ca -0.01 0.13 0.11 0.00 0.71 0.00 0.00 56.30 57.24 1ayj h ASN 23 Cb 0.47 0.44 -0.08 0.00 0.73 0.00 0.00 38.32 39.88 1ayj h ASN 23 CO -0.16 -0.43 0.19 1.56 -1.29 0.00 0.00 177.43 177.29 1ayj h GLN 24 N -0.58 0.32 0.42 6.67 4.20 -0.89 0.20 115.11 125.45 1ayj h GLN 24 Ca -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1ayj h GLN 24 Cb 0.58 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ayj h GLN 24 CO -0.21 0.21 -0.28 0.00 -0.67 0.00 0.00 178.83 177.88 1ayj h ILE 26 N -0.67 0.00 0.00 0.00 3.07 -0.57 0.97 117.51 120.31 1ayj h ILE 26 Ca -0.06 -0.24 -0.02 0.00 1.55 0.00 0.00 64.86 66.10 1ayj h ILE 26 Cb 0.54 0.98 -0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1ayj h ILE 26 CO 0.04 0.00 -0.25 -1.13 -1.05 0.00 0.00 178.15 175.76 1ayj h ASN 27 N 0.00 0.00 0.33 2.16 -0.73 -0.56 -3.42 115.58 113.37 1ayj h ASN 27 Ca 0.00 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.02 1ayj h ASN 27 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1ayj h ASN 27 CO 0.00 0.70 -0.16 -0.07 -0.37 0.00 0.00 177.43 177.53 1ayj h LEU 28 N -1.00 -0.38 0.00 0.34 4.07 -0.63 -3.45 115.31 114.27 1ayj h LEU 28 Ca -0.02 0.01 -0.37 0.00 0.08 0.00 0.00 57.88 57.58 1ayj h LEU 28 Cb 0.36 0.10 0.09 0.00 1.08 0.00 0.00 40.66 42.29 1ayj h LEU 28 CO -0.01 -0.11 0.18 -1.84 -1.08 0.00 0.00 178.44 175.57 1ayj n GLU 29 N -4.07 -0.35 -0.24 1.13 0.28 0.32 -5.01 120.64 112.69 1ayj n GLU 29 Ca -0.06 -2.03 0.07 0.00 -0.16 0.00 0.00 57.16 54.98 1ayj n GLU 29 Cb 0.17 -0.74 0.19 0.00 1.43 0.00 0.00 31.44 32.50 1ayj n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ayj n LYS 30 N -2.77 2.90 -1.49 3.44 4.76 -1.26 -4.32 118.16 119.41 1ayj n LYS 30 Ca 0.13 -2.23 -0.42 0.00 -2.87 0.00 0.00 58.31 52.92 1ayj n LYS 30 Cb 0.48 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 32.29 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 0.58 -1.12 -0.07 7.82 0.00 -1.26 -4.94 120.51 121.52 1ayj n ALA 31 Ca 0.15 0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1ayj n ALA 31 Cb 0.51 -1.85 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 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 0.49 0.68 -4.13 0.00 5.12 0.18 -4.32 116.66 114.69 1ayj n ARG 32 Ca 0.11 0.17 -0.29 0.00 -1.93 0.00 0.00 57.85 55.91 1ayj n ARG 32 Cb 0.39 -1.63 -0.07 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.54 3.01 -0.02 -1.55 3.76 -0.62 -4.95 115.29 112.38 1ayj s HIS 33 Ca -0.18 -0.04 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 1ayj s HIS 33 Cb 0.07 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.27 1ayj s HIS 33 CO 0.75 0.50 0.20 0.20 -0.85 0.00 0.00 174.74 175.54 1ayj s GLY 34 N -2.59 -0.05 -0.29 -2.22 0.00 -1.26 -0.59 107.32 100.32 1ayj s GLY 34 Ca 0.27 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 1ayj s GLY 34 CO 0.20 -0.01 1.08 -0.45 0.00 0.00 0.00 173.10 173.92 1ayj s SER 35 N -1.07 -0.37 0.28 1.64 0.15 0.02 -4.30 113.70 110.04 1ayj s SER 35 Ca -0.11 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 56.87 1ayj s SER 35 Cb -0.06 0.99 -0.10 0.00 -1.71 0.00 0.00 66.02 65.15 1ayj s SER 35 CO 0.02 -0.10 1.09 0.00 1.20 0.00 0.00 173.24 175.45 1ayj s ASN 37 N -0.88 1.35 0.29 0.00 2.47 -0.66 -4.80 114.94 112.72 1ayj s ASN 37 Ca 0.44 -0.69 -0.29 0.00 0.42 0.00 0.00 52.86 52.74 1ayj s ASN 37 Cb -0.32 0.00 -0.10 0.00 -1.45 0.00 0.00 41.25 39.38 1ayj s ASN 37 CO 0.41 -0.20 1.43 -0.47 -3.72 0.00 0.00 177.10 174.55 1ayj s TYR 38 N -1.86 2.93 -0.04 0.43 5.04 -1.26 -1.79 117.35 120.80 1ayj s TYR 38 Ca -0.01 1.12 -0.31 0.00 -2.44 0.00 0.00 57.07 55.43 1ayj s TYR 38 Cb -0.07 -3.85 0.12 0.00 0.35 0.00 0.00 41.96 38.52 1ayj s TYR 38 CO 0.01 -2.62 1.23 0.54 -1.34 0.00 0.00 175.55 173.37 1ayj s VAL 39 N -0.47 0.00 0.62 3.14 0.11 -1.26 -4.84 120.40 117.70 1ayj s VAL 39 Ca 0.56 -0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 59.22 1ayj s VAL 39 Cb -0.43 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1ayj s VAL 39 CO 0.49 0.00 1.01 2.22 -3.33 0.00 0.00 175.10 175.49 1ayj n PHE 40 N -0.40 0.96 -0.00 1.54 -1.74 -1.26 -0.84 117.46 115.72 1ayj n PHE 40 Ca -0.07 0.43 -0.16 0.00 -0.56 0.00 0.00 57.45 57.09 1ayj n PHE 40 Cb 0.62 -2.15 -0.06 0.00 1.52 0.00 0.00 39.48 39.41 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 0.43 0.72 0.00 3.97 0.13 -2.00 -3.42 132.00 131.83 1ayj h PRO 41 Ca -0.49 -0.60 -0.22 0.00 -0.87 0.00 0.00 66.00 63.81 1ayj h PRO 41 Cb 1.36 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.48 1ayj h PRO 41 CO 0.51 1.21 -0.37 0.00 -0.23 0.00 0.00 178.00 179.12 1ayj n ALA 42 N -2.59 -0.13 -0.01 -0.56 0.00 -1.01 -5.10 120.51 111.11 1ayj n ALA 42 Ca -0.07 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1ayj n ALA 42 Cb 0.76 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.02 0.00 -4.40 0.00 8.25 -0.02 -4.61 115.22 114.41 1ayj n HIS 43 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 1ayj n HIS 43 Cb 0.76 -0.06 -0.13 0.00 1.12 0.00 0.00 29.99 31.68 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 -4.40 1.43 -0.55 -0.41 1.02 -0.74 -0.93 119.74 115.16 1ayj s LYS 44 Ca 0.00 -1.39 -0.27 0.00 0.02 0.00 0.00 55.97 54.33 1ayj s LYS 44 Cb 0.00 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.46 1ayj s LYS 44 CO 0.00 0.44 1.09 0.00 -0.92 0.00 0.00 175.35 175.96 1ayj s ILE 46 N 4.51 5.15 0.02 0.00 -1.09 0.02 -0.82 121.20 128.99 1ayj s ILE 46 Ca 0.39 -0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1ayj s ILE 46 Cb -0.09 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1ayj s ILE 46 CO 0.24 -0.05 0.16 0.00 -1.23 0.00 0.00 174.94 174.07 1ayj s TYR 48 N -1.87 -0.04 0.02 0.00 1.51 0.25 -0.49 117.35 116.73 1ayj s TYR 48 Ca -0.11 0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1ayj s TYR 48 Cb -0.05 -0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1ayj s TYR 48 CO -0.01 -0.07 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.06 1ayj s PHE 49 N 0.63 2.09 0.16 2.71 0.40 -0.90 -0.65 117.98 122.43 1ayj s PHE 49 Ca -0.05 -0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 55.57 1ayj s PHE 49 Cb -0.07 -1.29 -0.12 0.00 0.51 0.00 0.00 43.02 42.05 1ayj s PHE 49 CO -0.02 0.05 1.77 -0.35 0.70 0.00 0.00 175.22 177.37 1ayj n PRO 50 N 2.09 2.71 0.00 0.24 -0.04 -1.26 -0.52 135.00 138.22 1ayj n PRO 50 Ca -0.16 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1ayj n PRO 50 Cb 0.52 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46