#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 4.34 -0.20 3.14 1.43 -1.26 -1.26 118.68 124.87 1ayj s LEU 3 Ca 0.00 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1ayj s LEU 3 Cb 0.00 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1ayj s LEU 3 CO 0.00 0.19 -0.08 0.00 0.23 0.00 0.00 176.35 176.69 1ayj n GLU 5 N 4.56 4.31 -2.62 0.00 4.71 -1.26 -1.39 120.64 128.95 1ayj n GLU 5 Ca -0.19 -3.40 -0.36 0.00 -0.01 0.00 0.00 57.16 53.20 1ayj n GLU 5 Cb 0.51 -2.71 -0.05 0.00 -1.01 0.00 0.00 31.44 28.18 1ayj n GLU 5 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1ayj s ARG 6 N -0.58 4.24 0.29 3.49 3.52 -0.55 -4.66 118.95 124.70 1ayj s ARG 6 Ca 0.51 1.43 -0.30 0.00 -0.13 0.00 0.00 55.73 57.24 1ayj s ARG 6 Cb 0.16 -2.54 -0.11 0.00 -1.56 0.00 0.00 34.95 30.91 1ayj s ARG 6 CO -0.07 -0.06 1.54 -1.25 -0.81 0.00 0.00 175.30 174.65 1ayj s PRO 7 N -2.51 4.17 0.19 5.12 0.04 -1.26 -0.45 135.00 140.30 1ayj s PRO 7 Ca 0.57 2.49 -0.30 0.00 0.04 0.00 0.00 61.00 63.80 1ayj s PRO 7 Cb -0.20 -3.04 -0.17 0.00 0.04 0.00 0.00 34.50 31.13 1ayj s PRO 7 CO 0.25 -0.56 0.74 0.43 0.04 0.00 0.00 177.00 177.91 1ayj n SER 8 N 2.06 -0.34 -0.32 6.66 7.64 0.49 -4.73 113.62 125.08 1ayj n SER 8 Ca 0.07 1.14 0.11 0.00 1.01 0.00 0.00 58.87 61.20 1ayj n SER 8 Cb 0.38 -1.04 0.28 0.00 -1.01 0.00 0.00 64.21 62.82 1ayj n SER 8 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ayj h GLY 9 N 1.66 1.60 0.00 0.23 0.00 -1.91 -2.65 103.07 102.00 1ayj h GLY 9 Ca -0.34 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1ayj h GLY 9 CO 0.60 -0.07 0.00 -1.30 0.00 0.00 0.00 176.54 175.77 1ayj n THR 10 N -4.84 0.00 -1.55 4.70 -2.24 -1.26 -4.59 114.28 104.50 1ayj n THR 10 Ca 0.21 0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.94 1ayj n THR 10 Cb 0.52 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 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 -1.75 2.85 -1.93 4.78 -0.00 -1.19 -4.81 117.44 115.39 1ayj n TRP 11 Ca 0.00 -2.40 -0.41 0.00 -0.00 0.00 0.00 57.50 54.69 1ayj n TRP 11 Cb 0.00 -2.20 -0.01 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 7.19 7.06 -0.67 5.87 7.64 -1.00 -3.33 113.62 136.37 1ayj n SER 12 Ca 0.51 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1ayj n SER 12 Cb 0.40 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 2.54 1.05 3.76 0.23 0.00 -1.26 -5.00 105.19 106.51 1ayj n GLY 13 Ca 0.59 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.30 2.19 -0.13 1.61 1.01 -1.26 -1.26 120.40 120.26 1ayj s VAL 14 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1ayj s VAL 14 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1ayj s VAL 14 CO 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 175.10 174.85 1ayj n GLY 16 N 1.84 0.75 3.15 0.00 0.00 -1.26 -4.89 105.19 104.78 1ayj n GLY 16 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.89 -0.86 0.07 1.61 3.84 -1.26 -5.07 114.94 111.39 1ayj s ASN 17 Ca 0.00 0.42 -0.27 0.00 0.21 0.00 0.00 52.86 53.22 1ayj s ASN 17 Cb 0.00 1.67 -0.17 0.00 -0.55 0.00 0.00 41.25 42.20 1ayj s ASN 17 CO 0.00 -0.16 1.64 -1.13 -2.79 0.00 0.00 177.10 174.66 1ayj h ASN 18 N 7.90 -0.31 -0.09 -4.21 -1.24 -1.90 -1.00 115.58 114.74 1ayj h ASN 18 Ca -0.14 -0.02 0.04 0.00 0.71 0.00 0.00 56.30 56.88 1ayj h ASN 18 Cb 1.17 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.26 1ayj h ASN 18 CO 0.04 -0.19 -0.17 -1.13 -1.29 0.00 0.00 177.43 174.69 1ayj h ASN 19 N -0.41 -0.51 0.32 1.15 -1.24 -1.97 0.10 115.58 113.02 1ayj h ASN 19 Ca -0.04 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1ayj h ASN 19 Cb 0.31 0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1ayj h ASN 19 CO 0.06 -0.22 -0.15 0.00 -1.29 0.00 0.00 177.43 175.83 1ayj h ALA 20 N 0.77 -0.43 -0.29 1.57 0.00 -1.98 -0.42 119.26 118.49 1ayj h ALA 20 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ayj h ALA 20 Cb 0.35 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1ayj h ALA 20 CO -0.22 -0.73 -0.42 0.00 0.00 0.00 0.00 179.25 177.89 1ayj h LYS 22 N -0.39 -0.32 0.04 0.00 3.64 -0.97 0.37 116.57 118.94 1ayj h LYS 22 Ca 0.11 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ayj h LYS 22 Cb 0.60 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ayj h LYS 22 CO -0.50 -0.21 -0.06 -0.97 -2.27 0.00 0.00 179.45 175.44 1ayj h ASN 23 N -0.33 -0.18 -0.91 4.20 -1.24 -0.09 -1.57 115.58 115.46 1ayj h ASN 23 Ca 0.03 0.02 0.19 0.00 0.71 0.00 0.00 56.30 57.25 1ayj h ASN 23 Cb 0.42 0.06 -0.17 0.00 0.73 0.00 0.00 38.32 39.37 1ayj h ASN 23 CO -0.34 -0.08 -0.17 -0.61 -1.29 0.00 0.00 177.43 174.94 1ayj h GLN 24 N -0.11 0.01 0.52 6.67 -0.00 -0.48 0.42 115.11 122.14 1ayj h GLN 24 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1ayj h GLN 24 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1ayj h GLN 24 CO -0.02 0.01 -0.43 0.00 0.00 0.00 0.00 178.83 178.38 1ayj h ILE 26 N -0.93 0.00 0.03 0.00 3.07 -0.30 0.24 117.51 119.61 1ayj h ILE 26 Ca -0.07 -0.50 -0.00 0.00 1.55 0.00 0.00 64.86 65.84 1ayj h ILE 26 Cb 0.78 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1ayj h ILE 26 CO -0.00 0.00 -0.01 -1.13 -1.05 0.00 0.00 178.15 175.95 1ayj h ASN 27 N 0.00 -0.03 0.00 2.16 -0.73 -0.09 -3.40 115.58 113.49 1ayj h ASN 27 Ca 0.00 -0.67 0.00 0.00 1.87 0.00 0.00 56.30 57.50 1ayj h ASN 27 Cb 0.70 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1ayj h ASN 27 CO 0.00 0.76 0.00 0.18 -0.37 0.00 0.00 177.43 178.00 1ayj n LEU 28 N -4.72 0.36 0.00 0.34 4.32 -0.02 -4.90 117.00 112.39 1ayj n LEU 28 Ca -0.08 0.54 -0.24 0.00 -0.02 0.00 0.00 56.01 56.22 1ayj n LEU 28 Cb 0.34 -0.42 0.15 0.00 -1.62 0.00 0.00 43.42 41.87 1ayj n LEU 28 CO 0.26 -0.42 0.66 -1.84 -1.22 0.00 0.00 177.39 174.83 1ayj n GLU 29 N -1.76 -0.61 -0.20 3.23 0.00 0.83 -5.02 120.64 117.11 1ayj n GLU 29 Ca 0.00 -2.18 0.06 0.00 0.00 0.00 0.00 57.16 55.04 1ayj n GLU 29 Cb 0.00 -0.92 0.15 0.00 0.00 0.00 0.00 31.44 30.66 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 -3.12 2.73 -0.92 3.44 4.76 -1.26 -3.97 118.16 119.81 1ayj n LYS 30 Ca 0.15 -2.20 -0.36 0.00 -2.87 0.00 0.00 58.31 53.03 1ayj n LYS 30 Cb 0.53 -1.39 0.07 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.19 -5.05 -0.45 7.82 0.00 -1.26 -4.97 120.51 116.40 1ayj n ALA 31 Ca 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1ayj n ALA 31 Cb 0.53 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.23 0.00 -3.89 0.00 5.12 -0.24 -4.66 116.66 114.22 1ayj n ARG 32 Ca -0.00 0.18 -0.22 0.00 -1.93 0.00 0.00 57.85 55.88 1ayj n ARG 32 Cb 0.64 -0.60 -0.05 0.00 -1.16 0.00 0.00 32.46 31.29 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 -0.55 2.81 0.12 -1.55 -3.43 -1.26 -4.92 115.29 106.52 1ayj s HIS 33 Ca 0.00 -0.36 -0.10 0.00 -0.80 0.00 0.00 55.06 53.80 1ayj s HIS 33 Cb 0.00 -1.79 0.00 0.00 -1.43 0.00 0.00 32.58 29.36 1ayj s HIS 33 CO 0.00 0.20 0.27 0.20 -2.00 0.00 0.00 174.74 173.41 1ayj s GLY 34 N -3.96 0.16 -0.12 -1.38 0.00 -1.26 -0.80 107.32 99.97 1ayj s GLY 34 Ca 0.41 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1ayj s GLY 34 CO 0.25 -0.72 1.01 -0.56 0.00 0.00 0.00 173.10 173.08 1ayj s SER 35 N -2.89 -0.31 -1.49 1.64 0.01 0.12 -4.09 113.70 106.69 1ayj s SER 35 Ca 0.09 0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.44 1ayj s SER 35 Cb 0.04 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.57 1ayj s SER 35 CO -0.07 -0.41 2.65 0.00 0.41 0.00 0.00 173.24 175.83 1ayj s ASN 37 N 1.48 4.53 0.00 0.00 2.47 -1.02 -4.58 114.94 117.83 1ayj s ASN 37 Ca 0.61 2.47 0.00 0.00 0.42 0.00 0.00 52.86 56.37 1ayj s ASN 37 Cb 0.18 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1ayj s ASN 37 CO -0.07 -2.04 0.00 0.00 -3.72 0.00 0.00 177.10 171.27 1ayj n TYR 38 N -2.19 0.00 -0.84 0.43 9.36 -1.26 -1.11 117.16 121.56 1ayj n TYR 38 Ca 0.14 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.41 1ayj n TYR 38 Cb 0.49 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.18 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 -1.16 -1.50 2.97 0.31 -1.26 -4.49 118.33 113.20 1ayj n VAL 39 Ca 0.00 0.69 -0.37 0.00 -0.01 0.00 0.00 64.34 64.65 1ayj n VAL 39 Cb 0.00 -1.12 0.05 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.62 0.07 -0.07 3.52 -0.00 -1.26 -3.85 117.46 113.26 1ayj n PHE 40 Ca -0.02 0.42 -0.10 0.00 -0.00 0.00 0.00 57.45 57.75 1ayj n PHE 40 Cb 0.32 -2.04 -0.08 0.00 -0.00 0.00 0.00 39.48 37.68 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 0.21 0.00 -5.63 -7.13 0.13 -2.01 -3.49 132.00 114.08 1ayj h PRO 41 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 1ayj h PRO 41 Cb 1.37 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.41 1ayj h PRO 41 CO 0.48 0.64 -0.44 0.00 -0.23 0.00 0.00 178.00 178.44 1ayj s ALA 42 N -2.37 4.06 0.55 -0.56 0.00 -1.25 -5.12 121.76 117.07 1ayj s ALA 42 Ca -0.14 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 1ayj s ALA 42 Cb -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1ayj s ALA 42 CO 0.44 -0.20 1.25 -1.01 0.00 0.00 0.00 175.76 176.23 1ayj s HIS 43 N -2.77 2.46 0.02 0.00 3.76 -1.26 -4.63 115.29 112.87 1ayj s HIS 43 Ca 0.25 1.48 -0.07 0.00 -0.15 0.00 0.00 55.06 56.56 1ayj s HIS 43 Cb 0.01 -3.56 -0.00 0.00 1.11 0.00 0.00 32.58 30.14 1ayj s HIS 43 CO 0.14 -2.28 0.14 -1.59 -0.85 0.00 0.00 174.74 170.31 1ayj s LYS 44 N -3.06 0.58 -1.17 1.40 0.00 -0.26 -3.67 119.74 113.55 1ayj s LYS 44 Ca 0.73 -0.58 -0.21 0.00 0.00 0.00 0.00 55.97 55.91 1ayj s LYS 44 Cb -0.33 0.24 0.01 0.00 0.00 0.00 0.00 37.83 37.75 1ayj s LYS 44 CO 0.38 -0.15 1.75 0.00 0.00 0.00 0.00 175.35 177.33 1ayj s ILE 46 N 6.71 3.95 -0.03 0.00 -1.09 -0.47 -0.38 121.20 129.89 1ayj s ILE 46 Ca 0.58 1.87 -0.03 0.00 -2.23 0.00 0.00 60.65 60.83 1ayj s ILE 46 Cb 0.01 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1ayj s ILE 46 CO 0.05 0.37 0.09 0.00 -1.23 0.00 0.00 174.94 174.22 1ayj s TYR 48 N -0.14 3.32 -0.06 0.00 1.51 0.02 -1.48 117.35 120.52 1ayj s TYR 48 Ca -0.02 -1.51 -0.13 0.00 -1.01 0.00 0.00 57.07 54.40 1ayj s TYR 48 Cb -0.02 -3.70 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1ayj s TYR 48 CO 0.00 -1.01 0.33 -0.06 -1.11 0.00 0.00 175.55 173.70 1ayj s PHE 49 N 1.48 3.64 -1.07 2.71 0.08 -0.49 -1.08 117.98 123.25 1ayj s PHE 49 Ca 0.04 0.82 -0.21 0.00 0.12 0.00 0.00 56.93 57.70 1ayj s PHE 49 Cb -0.28 -2.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.85 1ayj s PHE 49 CO 0.01 0.56 1.94 -0.35 -0.10 0.00 0.00 175.22 177.29 1ayj n PRO 50 N 2.28 1.94 0.00 0.24 -0.04 -1.26 -0.30 135.00 137.86 1ayj n PRO 50 Ca -0.14 -2.36 0.12 0.00 -0.04 0.00 0.00 63.50 61.08 1ayj n PRO 50 Cb 0.53 -3.33 0.71 0.00 -0.04 0.00 0.00 33.50 31.38 1ayj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46