#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apo n ASP 46 N 0.00 0.86 -3.15 4.39 8.00 -1.26 -5.06 116.55 120.33 1apo n ASP 46 Ca 0.00 0.15 0.06 0.00 0.71 0.00 0.00 54.79 55.70 1apo n ASP 46 Cb 0.00 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 1apo n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1apo s GLY 47 N -3.84 -0.64 -0.36 0.44 0.00 -1.26 -4.98 107.32 96.68 1apo s GLY 47 Ca -0.13 2.52 0.07 0.00 0.00 0.00 0.00 44.72 47.18 1apo s GLY 47 CO 0.19 4.09 1.83 1.22 0.00 0.00 0.00 173.10 180.43 1apo n ASP 48 N 5.21 4.41 0.13 1.64 9.92 -1.26 -4.13 116.55 132.46 1apo n ASP 48 Ca 0.04 -3.33 0.12 0.00 -0.53 0.00 0.00 54.79 51.09 1apo n ASP 48 Cb 0.57 -0.78 0.21 0.00 -0.64 0.00 0.00 41.12 40.48 1apo n ASP 48 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1apo h GLN 49 N 2.02 0.00 0.00 -1.24 1.08 -1.94 -3.29 115.11 111.74 1apo h GLN 49 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1apo h GLN 49 Cb 2.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.94 1apo h GLN 49 CO 0.87 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.75 1apo h GLU 51 N 0.00 0.00 -0.26 0.00 4.81 -1.73 -2.71 114.58 114.69 1apo h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1apo h GLU 51 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1apo h GLU 51 CO 0.00 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.84 1apo n GLY 52 N 0.59 0.42 3.03 1.92 0.00 -1.26 -4.97 105.19 104.93 1apo n GLY 52 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.39 -2.51 -0.12 1.61 -0.00 -1.02 -4.96 115.22 108.60 1apo n HIS 53 Ca 0.13 1.07 -0.25 0.00 0.46 0.00 0.00 57.72 59.14 1apo n HIS 53 Cb 0.30 -2.75 -0.11 0.00 -0.12 0.00 0.00 29.99 27.31 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 0.51 0.62 -1.57 1.57 -0.04 -1.26 -4.98 135.00 129.85 1apo n PRO 54 Ca 0.01 0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 63.44 1apo n PRO 54 Cb 0.37 -1.55 0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -5.77 3.21 -1.30 0.00 1.43 0.76 -4.50 118.68 112.51 1apo s LEU 56 Ca 0.61 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1apo s LEU 56 Cb -0.14 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1apo s LEU 56 CO 0.54 -1.02 0.61 0.59 0.23 0.00 0.00 176.35 177.30 1apo n ASN 57 N -1.92 -1.85 -2.06 2.29 3.02 -1.26 -0.97 115.26 112.52 1apo n ASN 57 Ca 0.08 -0.93 -0.14 0.00 -0.03 0.00 0.00 54.58 53.56 1apo n ASN 57 Cb 0.62 -3.55 -0.03 0.00 -0.61 0.00 0.00 39.78 36.21 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 -4.27 -1.83 -2.09 3.52 6.02 -1.26 -4.62 117.38 112.85 1apo n GLN 58 Ca -0.26 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 57.04 1apo n GLN 58 Cb 0.66 -5.21 -0.03 0.00 1.02 0.00 0.00 30.24 26.68 1apo n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1apo s GLY 59 N -2.09 1.78 -0.66 1.08 0.00 -0.14 -4.69 107.32 102.59 1apo s GLY 59 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 44.72 45.57 1apo s GLY 59 CO 0.00 2.57 1.19 0.30 0.00 0.00 0.00 173.10 177.16 1apo s HIS 60 N 1.86 2.47 -0.14 1.90 3.76 0.10 -4.63 115.29 120.62 1apo s HIS 60 Ca 0.68 0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 55.36 1apo s HIS 60 Cb -0.37 -4.51 -0.01 0.00 1.11 0.00 0.00 32.58 28.80 1apo s HIS 60 CO 0.30 -1.81 1.08 0.00 -0.85 0.00 0.00 174.74 173.46 1apo s LYS 62 N 2.54 3.66 0.21 0.00 2.20 -0.28 -4.84 119.74 123.23 1apo s LYS 62 Ca 0.49 0.03 -0.25 0.00 -0.36 0.00 0.00 55.97 55.89 1apo s LYS 62 Cb -0.19 -2.69 -0.08 0.00 -1.51 0.00 0.00 37.83 33.36 1apo s LYS 62 CO 0.15 0.29 0.81 0.34 -0.36 0.00 0.00 175.35 176.57 1apo s ASP 63 N -2.86 7.33 0.12 1.43 -1.08 -1.26 -0.34 116.67 120.01 1apo s ASP 63 Ca 0.44 1.65 -0.12 0.00 -0.52 0.00 0.00 52.55 54.00 1apo s ASP 63 Cb -0.11 -2.50 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 1apo s ASP 63 CO 0.27 0.12 0.29 -0.83 0.52 0.00 0.00 175.17 175.54 1apo s GLY 64 N -1.34 0.04 0.30 2.66 0.00 -1.08 -4.83 107.32 103.07 1apo s GLY 64 Ca 0.40 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1apo s GLY 64 CO 0.25 -0.62 1.34 -0.42 0.00 0.00 0.00 173.10 173.64 1apo s ILE 65 N -3.86 2.73 0.00 0.90 1.01 -1.26 -1.56 121.20 119.15 1apo s ILE 65 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1apo s ILE 65 Cb 0.03 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1apo s ILE 65 CO -0.09 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1apo n GLY 66 N 1.21 1.25 3.63 6.18 0.00 -1.26 -4.81 105.19 111.39 1apo n GLY 66 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1apo n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1apo s ASP 67 N 0.00 -0.66 0.47 1.61 1.01 -0.60 -5.12 116.67 113.38 1apo s ASP 67 Ca 0.00 1.25 0.00 0.00 0.71 0.00 0.00 52.55 54.51 1apo s ASP 67 Cb 0.00 1.27 0.00 0.00 1.01 0.00 0.00 42.92 45.20 1apo s ASP 67 CO 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 175.17 175.17 1apo n TYR 68 N 2.65 -1.85 -4.07 4.23 4.11 -1.25 -2.64 117.16 118.33 1apo n TYR 68 Ca -0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.62 1apo n TYR 68 Cb 0.56 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.75 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 -0.47 0.30 -0.09 -3.48 -4.23 0.54 -4.71 115.64 103.51 1apo s THR 69 Ca 0.00 -0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.07 1apo s THR 69 Cb 0.00 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.55 1apo s THR 69 CO 0.00 0.06 0.75 0.00 -0.54 0.00 0.00 174.62 174.89 1apo s THR 71 N 1.13 2.59 0.23 0.00 2.01 -0.85 -4.95 115.64 115.80 1apo s THR 71 Ca 0.39 -1.60 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1apo s THR 71 Cb -0.18 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1apo s THR 71 CO 0.18 -0.14 0.90 0.00 -0.69 0.00 0.00 174.62 174.87 1apo s ALA 73 N -1.21 2.65 -0.34 0.00 0.00 -1.26 -4.77 121.76 116.83 1apo s ALA 73 Ca 0.41 0.12 -0.40 0.00 0.00 0.00 0.00 51.96 52.08 1apo s ALA 73 Cb -0.25 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1apo s ALA 73 CO 0.30 -1.24 1.88 -1.91 0.00 0.00 0.00 175.76 174.79 1apo n GLU 74 N -3.10 0.91 0.00 0.00 2.13 -1.26 -1.10 120.64 118.23 1apo n GLU 74 Ca 0.08 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1apo n GLU 74 Cb 0.53 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 5.12 1.18 3.03 8.31 0.00 -1.26 -4.94 105.19 116.63 1apo n GLY 75 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 0.42 0.00 1.61 0.08 -0.26 -1.57 117.98 116.27 1apo s PHE 76 Ca 0.00 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1apo s PHE 76 Cb 0.00 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.16 1apo s PHE 76 CO 0.00 -0.20 0.00 -0.85 -0.10 0.00 0.00 175.22 174.07 1apo n GLU 77 N 1.19 0.00 0.00 0.44 0.28 0.13 -4.64 120.64 118.05 1apo n GLU 77 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1apo n GLU 77 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1apo n GLY 78 N 0.00 -0.13 0.34 -1.84 0.00 -1.26 0.43 105.19 102.74 1apo n GLY 78 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 1.04 -0.74 1.61 3.64 -2.01 -1.60 116.57 118.51 1apo h LYS 79 Ca 0.00 -0.12 -0.28 0.00 -1.27 0.00 0.00 60.65 58.97 1apo h LYS 79 Cb 0.00 -0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 31.45 1apo h LYS 79 CO 0.00 0.77 0.32 0.09 -2.27 0.00 0.00 179.45 178.37 1apo n ASN 80 N -4.35 4.20 -2.44 4.20 3.02 -1.26 -4.79 115.26 113.84 1apo n ASN 80 Ca 0.08 -3.39 -0.18 0.00 -0.03 0.00 0.00 54.58 51.05 1apo n ASN 80 Cb 0.11 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.52 1apo n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1apo h GLU 82 N -0.05 -0.04 -5.78 0.00 4.57 0.88 -3.32 114.58 110.84 1apo h GLU 82 Ca -0.43 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.15 1apo h GLU 82 Cb 1.32 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.85 1apo h GLU 82 CO 0.51 0.16 -0.25 -0.59 -1.18 0.00 0.00 179.01 177.65 1apo s PHE 83 N -5.42 3.60 -0.84 0.92 -0.12 0.31 -4.60 117.98 111.84 1apo s PHE 83 Ca -0.14 0.82 -0.25 0.00 -0.05 0.00 0.00 56.93 57.31 1apo s PHE 83 Cb 0.04 -2.31 0.01 0.00 -0.63 0.00 0.00 43.02 40.13 1apo s PHE 83 CO 0.66 0.46 1.57 -1.54 -0.05 0.00 0.00 175.22 176.32 1apo s SER 84 N -0.35 5.91 0.37 1.98 1.04 -1.26 0.22 113.70 121.61 1apo s SER 84 Ca 0.21 -0.67 0.19 0.00 0.48 0.00 0.00 55.95 56.16 1apo s SER 84 Cb -0.15 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.04 1apo s SER 84 CO 0.09 -2.01 1.71 0.00 0.98 0.00 0.00 173.24 174.01 1apo h THR 85 N 6.68 0.85 0.00 2.02 1.03 -1.58 -3.48 112.91 118.42 1apo h THR 85 Ca -0.05 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.78 1apo h THR 85 Cb 1.05 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1apo h THR 85 CO 1.30 0.37 0.00 -1.14 -0.01 0.00 0.00 175.52 176.04