#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apo s ASP 46 N 0.00 5.63 0.00 4.39 -4.77 -1.26 -4.99 116.67 115.67 1apo s ASP 46 Ca 0.00 0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 1apo s ASP 46 Cb 0.00 -1.68 0.00 0.00 -1.09 0.00 0.00 42.92 40.15 1apo s ASP 46 CO 0.00 0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.87 1apo n GLY 47 N 2.09 1.03 0.83 2.12 0.00 -1.26 -5.00 105.19 104.99 1apo n GLY 47 Ca -0.19 0.41 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1apo n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1apo n ASP 48 N 0.00 -0.66 0.02 1.61 5.75 -1.26 -4.94 116.55 117.07 1apo n ASP 48 Ca 0.00 -1.34 0.12 0.00 -0.01 0.00 0.00 54.79 53.56 1apo n ASP 48 Cb 0.00 0.20 0.21 0.00 -1.03 0.00 0.00 41.12 40.50 1apo n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1apo n GLN 49 N 0.00 0.11 -0.17 0.11 3.00 -1.26 -4.44 117.38 114.72 1apo n GLN 49 Ca -0.18 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1apo n GLN 49 Cb 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1apo n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1apo n GLU 51 N 0.00 0.22 -0.49 0.00 2.13 -1.26 -2.90 120.64 118.33 1apo n GLU 51 Ca 0.00 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.08 1apo n GLU 51 Cb 0.40 -1.77 0.20 0.00 0.27 0.00 0.00 31.44 30.54 1apo n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 52 N 1.16 4.88 3.13 8.31 0.00 -1.26 -5.03 105.19 116.37 1apo n GLY 52 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1apo n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1apo n HIS 53 N -1.13 0.00 -0.03 1.61 -0.00 -1.14 -4.89 115.22 109.64 1apo n HIS 53 Ca 0.22 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.29 1apo n HIS 53 Cb 0.79 -0.98 -0.14 0.00 -0.12 0.00 0.00 29.99 29.54 1apo n HIS 53 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1apo n PRO 54 N 1.46 0.66 -2.47 1.57 -0.04 -1.26 -4.84 135.00 130.08 1apo n PRO 54 Ca 0.00 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1apo n PRO 54 Cb 0.42 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1apo n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1apo s LEU 56 N 2.41 2.15 -1.13 0.00 1.43 0.24 -3.92 118.68 119.86 1apo s LEU 56 Ca 0.55 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 54.05 1apo s LEU 56 Cb -0.24 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1apo s LEU 56 CO 0.20 -2.97 0.98 0.59 0.23 0.00 0.00 176.35 175.39 1apo n ASN 57 N -3.96 -5.55 -3.51 2.29 3.02 -1.26 -1.35 115.26 104.94 1apo n ASN 57 Ca 0.13 -0.45 -0.24 0.00 -0.03 0.00 0.00 54.58 53.99 1apo n ASN 57 Cb 0.60 -4.28 -0.02 0.00 -0.61 0.00 0.00 39.78 35.47 1apo n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1apo n GLN 58 N -4.24 -2.87 0.00 3.52 1.13 -1.26 -4.75 117.38 108.91 1apo n GLN 58 Ca 0.00 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1apo n GLN 58 Cb 0.55 -5.01 0.00 0.00 0.11 0.00 0.00 30.24 25.89 1apo n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1apo n GLY 59 N -1.08 -1.63 2.06 1.08 0.00 -0.46 -4.73 105.19 100.44 1apo n GLY 59 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1apo n GLY 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1apo n HIS 60 N 0.00 -1.71 -3.67 1.61 -0.00 -1.01 -4.85 115.22 105.60 1apo n HIS 60 Ca 0.00 -1.05 -0.08 0.00 0.46 0.00 0.00 57.72 57.05 1apo n HIS 60 Cb 0.00 0.50 -0.09 0.00 -0.12 0.00 0.00 29.99 30.28 1apo n HIS 60 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1apo h LYS 62 N 7.18 0.00 -3.30 0.00 6.56 -1.91 -3.49 116.57 121.61 1apo h LYS 62 Ca -0.32 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1apo h LYS 62 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1apo h LYS 62 CO 0.22 0.05 -0.84 -3.47 -2.06 0.00 0.00 179.45 173.35 1apo n ASP 63 N -2.74 -7.59 0.00 0.86 -0.08 -1.26 -4.94 116.55 100.81 1apo n ASP 63 Ca -0.01 1.45 0.00 0.00 -1.51 0.00 0.00 54.79 54.72 1apo n ASP 63 Cb 0.60 -4.30 0.00 0.00 2.34 0.00 0.00 41.12 39.76 1apo n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1apo n GLY 64 N -1.88 -1.43 3.58 0.27 0.00 -1.26 -4.80 105.19 99.67 1apo n GLY 64 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 1apo n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1apo s ILE 65 N 1.09 1.56 0.62 -0.61 -1.09 -1.26 -4.79 121.20 116.73 1apo s ILE 65 Ca 0.00 0.00 0.26 0.00 -2.23 0.00 0.00 60.65 58.68 1apo s ILE 65 Cb 0.00 -2.47 0.32 0.00 -1.58 0.00 0.00 42.46 38.73 1apo s ILE 65 CO 0.00 0.00 1.74 1.23 -1.23 0.00 0.00 174.94 176.68 1apo h GLY 66 N -2.66 0.00 -5.98 6.18 0.00 -2.00 -3.34 103.07 95.28 1apo h GLY 66 Ca -0.44 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.28 1apo h GLY 66 CO 0.33 0.00 -0.41 0.99 0.00 0.00 0.00 176.54 177.44 1apo s ASP 67 N -4.53 6.35 0.59 0.19 1.11 -1.26 -4.62 116.67 114.49 1apo s ASP 67 Ca -0.03 0.40 -0.01 0.00 0.18 0.00 0.00 52.55 53.09 1apo s ASP 67 Cb 0.12 -2.13 0.06 0.00 1.07 0.00 0.00 42.92 42.04 1apo s ASP 67 CO 0.40 0.19 0.41 0.00 1.18 0.00 0.00 175.17 177.35 1apo n TYR 68 N 3.22 -3.32 -4.97 4.23 4.11 -1.26 -4.23 117.16 114.95 1apo n TYR 68 Ca -0.15 -0.66 -0.28 0.00 -0.00 0.00 0.00 57.90 56.81 1apo n TYR 68 Cb 0.52 -0.30 -0.16 0.00 -0.00 0.00 0.00 39.34 39.40 1apo n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1apo s THR 69 N -1.22 1.64 -0.19 -3.48 -4.23 -1.26 -4.92 115.64 101.98 1apo s THR 69 Ca 0.26 -0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 1apo s THR 69 Cb -0.01 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 1apo s THR 69 CO 0.18 0.47 0.08 0.00 -0.54 0.00 0.00 174.62 174.81 1apo s THR 71 N 0.50 2.96 0.00 0.00 2.01 -0.67 -4.94 115.64 115.50 1apo s THR 71 Ca 0.04 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1apo s THR 71 Cb -0.12 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1apo s THR 71 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1apo n ALA 73 N -2.67 0.00 -1.67 0.00 0.00 -1.26 -2.66 120.51 112.24 1apo n ALA 73 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 1apo n ALA 73 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1apo n ALA 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1apo n GLU 74 N -0.38 2.12 -1.68 0.00 2.13 -1.26 -1.37 120.64 120.21 1apo n GLU 74 Ca 0.00 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1apo n GLU 74 Cb 0.00 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.06 1apo n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 75 N 4.54 0.63 3.08 8.31 0.00 -1.26 -5.03 105.19 115.45 1apo n GLY 75 Ca 0.24 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1apo n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1apo s PHE 76 N -2.00 0.17 0.25 1.61 0.08 -0.47 -3.13 117.98 114.50 1apo s PHE 76 Ca 0.00 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.60 1apo s PHE 76 Cb 0.00 -0.13 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1apo s PHE 76 CO 0.00 -0.29 0.42 0.39 -0.10 0.00 0.00 175.22 175.64 1apo n GLU 77 N 1.19 0.60 0.00 0.44 1.02 -1.23 -4.44 120.64 118.23 1apo n GLU 77 Ca -0.21 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 1apo n GLU 77 Cb 0.57 1.88 0.00 0.00 -0.02 0.00 0.00 31.44 33.86 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1apo n GLY 78 N -0.39 0.82 0.36 0.62 0.00 -1.26 -1.81 105.19 103.54 1apo n GLY 78 Ca -0.02 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 1apo n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1apo h LYS 79 N 0.00 -0.81 0.00 1.61 3.64 -2.01 -2.97 116.57 116.03 1apo h LYS 79 Ca 0.00 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1apo h LYS 79 Cb 0.00 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1apo h LYS 79 CO 0.00 -0.54 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.64 1apo h ASN 80 N -0.84 0.00 0.00 4.20 4.21 -1.87 -3.46 115.58 117.81 1apo h ASN 80 Ca -0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.43 1apo h ASN 80 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1apo h ASN 80 CO 0.08 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.31 1apo h GLU 82 N 0.00 0.00 -7.71 0.00 4.57 -1.75 -3.36 114.58 106.33 1apo h GLU 82 Ca 0.00 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.73 1apo h GLU 82 Cb 0.20 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 28.95 1apo h GLU 82 CO 0.00 0.00 0.37 -0.06 -1.18 0.00 0.00 179.01 178.14 1apo s PHE 83 N -3.96 1.70 -0.06 0.92 0.08 -0.75 -4.91 117.98 111.00 1apo s PHE 83 Ca -0.03 0.45 0.19 0.00 0.12 0.00 0.00 56.93 57.66 1apo s PHE 83 Cb 0.11 -3.88 0.37 0.00 -0.57 0.00 0.00 43.02 39.06 1apo s PHE 83 CO 0.46 -2.68 1.16 -1.13 -0.10 0.00 0.00 175.22 172.93 1apo n SER 84 N -3.85 1.13 0.00 1.36 3.41 -1.24 -3.54 113.62 110.90 1apo n SER 84 Ca 0.13 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 1apo n SER 84 Cb 0.60 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1apo n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1apo n THR 85 N -0.06 0.00 -0.27 6.66 -2.24 -1.18 -4.55 114.28 112.63 1apo n THR 85 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1apo n THR 85 Cb 0.96 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1apo n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36