#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 2.95 0.01 3.14 1.43 -1.26 -1.03 118.68 123.92 1ayj s LEU 3 Ca 0.00 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 1ayj s LEU 3 Cb 0.00 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 1ayj s LEU 3 CO 0.00 -2.47 -0.03 0.00 0.23 0.00 0.00 176.35 174.08 1ayj s GLU 5 N -0.39 4.23 -0.45 0.00 2.02 -1.26 -0.94 118.70 121.92 1ayj s GLU 5 Ca -0.02 1.22 0.02 0.00 0.02 0.00 0.00 54.97 56.21 1ayj s GLU 5 Cb -0.03 -2.30 0.14 0.00 0.10 0.00 0.00 34.13 32.04 1ayj s GLU 5 CO -0.00 -0.04 0.27 0.50 0.02 0.00 0.00 175.26 176.01 1ayj s ARG 6 N -2.94 1.23 0.23 1.61 3.52 0.17 -4.93 118.95 117.84 1ayj s ARG 6 Ca 0.60 -2.04 -0.08 0.00 -0.13 0.00 0.00 55.73 54.08 1ayj s ARG 6 Cb -0.13 -2.15 0.36 0.00 -1.56 0.00 0.00 34.95 31.48 1ayj s ARG 6 CO 0.17 -1.21 1.67 -1.35 -0.81 0.00 0.00 175.30 173.76 1ayj h PRO 7 N 6.50 0.16 -5.61 5.12 0.11 -1.91 -2.95 132.00 133.42 1ayj h PRO 7 Ca 0.05 -0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.76 1ayj h PRO 7 Cb 0.92 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 1ayj h PRO 7 CO 0.45 0.11 1.22 -1.12 -0.21 0.00 0.00 178.00 178.45 1ayj s SER 8 N -5.23 5.42 0.00 -2.05 0.01 -1.26 -4.67 113.70 105.91 1ayj s SER 8 Ca -0.13 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1ayj s SER 8 Cb 0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1ayj s SER 8 CO 0.75 -2.63 0.00 0.61 0.41 0.00 0.00 173.24 172.37 1ayj n GLY 9 N 5.99 1.52 0.25 3.44 0.00 -1.11 -5.01 105.19 110.26 1ayj n GLY 9 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.22 2.61 -2.24 -1.26 -4.85 114.28 107.32 1ayj n THR 10 Ca 0.00 0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 1ayj n THR 10 Cb 0.00 -0.78 -0.09 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 -1.56 1.26 -1.98 4.78 -0.00 -1.26 -4.82 117.44 113.86 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 -1.77 -0.01 0.00 -0.00 0.00 0.00 31.31 29.53 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 11.91 7.05 -0.39 5.87 7.64 -1.26 -4.56 113.62 139.88 1ayj n SER 12 Ca 0.46 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1ayj n SER 12 Cb 0.43 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 1.93 3.73 0.23 0.00 -1.26 -4.99 105.19 107.26 1ayj n GLY 13 Ca 0.58 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.66 2.33 -0.25 1.61 1.01 -1.26 -1.32 120.40 119.86 1ayj s VAL 14 Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1ayj s VAL 14 Cb 0.00 -3.16 -0.19 0.00 0.00 0.00 0.00 36.38 33.03 1ayj s VAL 14 CO 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 175.10 174.97 1ayj n GLY 16 N 2.16 0.89 2.97 0.00 0.00 -1.26 -4.81 105.19 105.14 1ayj n GLY 16 Ca -0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.17 0.09 1.61 3.84 -1.26 -5.03 114.94 114.02 1ayj s ASN 17 Ca 0.00 0.38 -0.35 0.00 0.21 0.00 0.00 52.86 53.11 1ayj s ASN 17 Cb 0.00 0.27 -0.16 0.00 -0.55 0.00 0.00 41.25 40.81 1ayj s ASN 17 CO 0.00 -0.15 1.57 -1.13 -2.79 0.00 0.00 177.10 174.60 1ayj h ASN 18 N 7.18 -1.31 -0.66 -4.21 -0.73 -1.87 -2.35 115.58 111.62 1ayj h ASN 18 Ca -0.42 0.11 0.11 0.00 1.87 0.00 0.00 56.30 57.97 1ayj h ASN 18 Cb 1.15 0.44 -0.08 0.00 0.27 0.00 0.00 38.32 40.10 1ayj h ASN 18 CO 0.41 -0.62 0.27 -1.13 -0.37 0.00 0.00 177.43 175.98 1ayj h ASN 19 N -0.92 0.28 0.42 1.15 -0.00 -1.96 0.16 115.58 114.71 1ayj h ASN 19 Ca -0.05 0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.32 1ayj h ASN 19 Cb 0.82 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.20 1ayj h ASN 19 CO -0.09 0.15 -0.20 0.00 -0.00 0.00 0.00 177.43 177.29 1ayj h ALA 20 N 1.45 -0.56 -0.24 1.57 0.00 -1.93 -0.36 119.26 119.19 1ayj h ALA 20 Ca 0.34 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ayj h ALA 20 Cb 0.44 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1ayj h ALA 20 CO -0.32 -0.79 -0.23 0.00 0.00 0.00 0.00 179.25 177.91 1ayj h LYS 22 N -0.23 -0.29 0.11 0.00 3.64 -0.65 0.78 116.57 119.93 1ayj h LYS 22 Ca 0.14 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1ayj h LYS 22 Cb 0.44 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1ayj h LYS 22 CO -0.38 -0.19 -0.38 -0.97 -2.27 0.00 0.00 179.45 175.26 1ayj h ASN 23 N -0.30 -1.13 -0.68 4.20 -1.24 -0.76 -1.71 115.58 113.96 1ayj h ASN 23 Ca 0.02 0.12 0.13 0.00 0.71 0.00 0.00 56.30 57.28 1ayj h ASN 23 Cb 0.37 0.41 -0.09 0.00 0.73 0.00 0.00 38.32 39.74 1ayj h ASN 23 CO -0.27 -0.41 0.22 1.56 -1.29 0.00 0.00 177.43 177.24 1ayj h GLN 24 N -0.56 0.34 0.64 6.67 4.20 -0.78 0.29 115.11 125.92 1ayj h GLN 24 Ca -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1ayj h GLN 24 Cb 0.55 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1ayj h GLN 24 CO -0.19 0.23 -0.43 0.00 -0.67 0.00 0.00 178.83 177.77 1ayj n ILE 26 N -5.10 0.69 -0.06 0.00 -5.35 -0.67 -1.23 119.36 107.64 1ayj n ILE 26 Ca -0.12 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.28 1ayj n ILE 26 Cb 0.43 -0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 37.46 1ayj n ILE 26 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1ayj h ASN 27 N 0.00 0.00 0.41 7.28 -0.73 -0.36 -3.40 115.58 118.77 1ayj h ASN 27 Ca 0.00 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 1ayj h ASN 27 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1ayj h ASN 27 CO 0.00 0.62 -0.19 -0.07 -0.37 0.00 0.00 177.43 177.42 1ayj h LEU 28 N -1.00 -0.46 0.00 0.34 4.07 -0.86 -3.44 115.31 113.95 1ayj h LEU 28 Ca -0.01 0.02 -0.23 0.00 0.08 0.00 0.00 57.88 57.73 1ayj h LEU 28 Cb 0.23 0.12 0.05 0.00 1.08 0.00 0.00 40.66 42.14 1ayj h LEU 28 CO -0.01 -0.14 0.09 -1.84 -1.08 0.00 0.00 178.44 175.47 1ayj n GLU 29 N -4.54 0.06 -0.20 1.13 0.28 -0.36 -5.04 120.64 111.97 1ayj n GLU 29 Ca -0.07 -1.32 0.06 0.00 -0.16 0.00 0.00 57.16 55.68 1ayj n GLU 29 Cb 0.21 -0.41 0.15 0.00 1.43 0.00 0.00 31.44 32.82 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 -2.04 2.72 -1.15 3.44 4.76 -1.26 -4.19 118.16 120.43 1ayj n LYS 30 Ca 0.08 -2.22 -0.37 0.00 -2.87 0.00 0.00 58.31 52.93 1ayj n LYS 30 Cb 0.30 -1.40 0.04 0.00 -1.84 0.00 0.00 35.03 32.13 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 -0.21 -3.35 -0.08 7.82 0.00 -1.26 -4.97 120.51 118.45 1ayj n ALA 31 Ca 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1ayj n ALA 31 Cb 0.54 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1ayj n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ayj h ARG 32 N -0.51 0.00 -6.25 0.00 9.65 -1.76 -3.40 114.38 112.10 1ayj h ARG 32 Ca -0.43 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.87 1ayj h ARG 32 Cb 1.36 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.86 1ayj h ARG 32 CO 0.36 0.48 -0.61 -1.01 2.80 0.00 0.00 179.97 181.99 1ayj s HIS 33 N -2.26 2.96 -0.02 2.20 3.76 -0.22 -4.99 115.29 116.73 1ayj s HIS 33 Ca -0.20 -0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 1ayj s HIS 33 Cb 0.03 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.33 1ayj s HIS 33 CO 0.39 0.53 0.11 0.20 -0.85 0.00 0.00 174.74 175.12 1ayj s GLY 34 N -3.22 -0.00 -0.30 -2.22 0.00 -1.26 -0.66 107.32 99.65 1ayj s GLY 34 Ca 0.30 0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.88 1ayj s GLY 34 CO 0.21 -0.03 1.28 -0.45 0.00 0.00 0.00 173.10 174.12 1ayj s SER 35 N -0.65 -0.03 0.27 1.64 0.15 -0.70 -4.30 113.70 110.10 1ayj s SER 35 Ca -0.07 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 1ayj s SER 35 Cb -0.04 1.02 -0.09 0.00 -1.71 0.00 0.00 66.02 65.20 1ayj s SER 35 CO 0.01 -0.00 1.15 0.00 1.20 0.00 0.00 173.24 175.59 1ayj s ASN 37 N -0.64 4.32 0.00 0.00 2.47 -0.58 -4.75 114.94 115.77 1ayj s ASN 37 Ca 0.47 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.95 1ayj s ASN 37 Cb -0.33 -0.68 0.00 0.00 -1.45 0.00 0.00 41.25 38.79 1ayj s ASN 37 CO 0.42 -0.07 0.00 0.00 -3.72 0.00 0.00 177.10 173.74 1ayj n TYR 38 N -0.88 0.00 -1.24 0.43 9.36 -1.26 -0.66 117.16 122.91 1ayj n TYR 38 Ca -0.05 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.30 1ayj n TYR 38 Cb 0.60 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.24 1ayj n TYR 38 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1ayj n VAL 39 N 0.00 -0.69 -1.14 2.97 0.24 -1.26 -4.33 118.33 114.12 1ayj n VAL 39 Ca 0.00 0.72 -0.34 0.00 -2.04 0.00 0.00 64.34 62.68 1ayj n VAL 39 Cb 0.00 -1.09 0.12 0.00 -1.47 0.00 0.00 33.84 31.40 1ayj n VAL 39 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 1ayj n PHE 40 N -4.04 1.17 -0.06 6.34 -1.74 -1.26 -3.85 117.46 114.02 1ayj n PHE 40 Ca -0.07 0.40 -0.12 0.00 -0.56 0.00 0.00 57.45 57.10 1ayj n PHE 40 Cb 0.54 -2.10 -0.11 0.00 1.52 0.00 0.00 39.48 39.32 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 -0.82 -0.00 -5.42 3.97 0.13 -2.02 -3.49 132.00 124.35 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 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1ayj h PRO 41 CO 0.46 0.86 -0.56 0.00 -0.23 0.00 0.00 178.00 178.53 1ayj s ALA 42 N -2.37 3.56 0.09 -0.56 0.00 -1.25 -5.10 121.76 116.14 1ayj s ALA 42 Ca -0.17 -1.40 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 1ayj s ALA 42 Cb -0.02 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 1ayj s ALA 42 CO 0.61 -0.09 1.66 -1.01 0.00 0.00 0.00 175.76 176.94 1ayj s HIS 43 N -2.82 2.49 -0.06 0.00 3.76 -1.26 -4.69 115.29 112.71 1ayj s HIS 43 Ca 0.22 0.32 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1ayj s HIS 43 Cb 0.06 -3.99 -0.00 0.00 1.11 0.00 0.00 32.58 29.76 1ayj s HIS 43 CO 0.11 -3.93 -0.20 -1.59 -0.85 0.00 0.00 174.74 168.28 1ayj s LYS 44 N 2.40 2.21 -1.08 1.40 -2.85 0.17 -0.49 119.74 121.50 1ayj s LYS 44 Ca 0.74 -0.71 -0.22 0.00 -1.00 0.00 0.00 55.97 54.78 1ayj s LYS 44 Cb -0.41 -1.83 0.02 0.00 -2.06 0.00 0.00 37.83 33.55 1ayj s LYS 44 CO 0.33 0.24 1.67 0.00 0.10 0.00 0.00 175.35 177.68 1ayj s ILE 46 N 6.48 4.18 0.05 0.00 -1.09 -1.25 -4.69 121.20 124.88 1ayj s ILE 46 Ca 0.55 1.75 0.03 0.00 -2.23 0.00 0.00 60.65 60.75 1ayj s ILE 46 Cb -0.00 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1ayj s ILE 46 CO -0.01 0.08 -0.10 0.00 -1.23 0.00 0.00 174.94 173.68 1ayj s TYR 48 N -1.20 0.94 0.02 0.00 1.51 0.16 -0.65 117.35 118.13 1ayj s TYR 48 Ca -0.06 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1ayj s TYR 48 Cb -0.09 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1ayj s TYR 48 CO 0.01 -0.11 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.19 1ayj s PHE 49 N 0.23 0.80 0.17 2.71 0.40 -0.11 -1.05 117.98 121.13 1ayj s PHE 49 Ca -0.04 -0.31 -0.32 0.00 -0.60 0.00 0.00 56.93 55.67 1ayj s PHE 49 Cb -0.09 -0.49 -0.11 0.00 0.51 0.00 0.00 43.02 42.84 1ayj s PHE 49 CO 0.00 -0.02 1.74 -1.25 0.70 0.00 0.00 175.22 176.39 1ayj s PRO 50 N -0.91 4.14 0.00 0.24 0.04 -1.26 0.12 135.00 137.37 1ayj s PRO 50 Ca -0.02 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1ayj s PRO 50 Cb -0.07 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1ayj s PRO 50 CO 0.00 -0.76 0.00 0.00 0.04 0.00 0.00 177.00 176.28