#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 -0.25 0.00 3.14 2.15 -1.26 -5.03 116.67 115.43 1apo s ASP 46 Ca 0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1apo s ASP 46 Cb 0.00 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 44.05 1apo s ASP 46 CO 0.00 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1apo n GLY 47 N 5.38 -2.38 2.79 2.66 0.00 -1.26 -4.94 105.19 107.44 1apo n GLY 47 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1apo n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1apo n ASP 48 N 0.00 5.87 0.01 1.61 9.92 -1.26 -4.73 116.55 127.97 1apo n ASP 48 Ca 0.00 -3.70 -0.10 0.00 -0.53 0.00 0.00 54.79 50.46 1apo n ASP 48 Cb 0.00 -0.83 0.05 0.00 -0.64 0.00 0.00 41.12 39.70 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 3.46 0.55 0.00 -1.24 7.50 -1.92 -3.34 115.11 120.12 1apo h GLN 49 Ca 0.34 -0.35 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1apo h GLN 49 Cb 0.43 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1apo h GLN 49 CO 1.01 0.97 -0.94 0.00 -1.50 0.00 0.00 178.83 178.37 1apo s GLU 51 N -2.33 4.26 0.00 0.00 2.12 -1.25 -3.92 118.70 117.57 1apo s GLU 51 Ca 0.01 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.91 1apo s GLU 51 Cb 0.08 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.79 1apo s GLU 51 CO 0.45 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 1apo n GLY 52 N 0.53 0.81 0.20 -1.50 0.00 -1.26 -4.60 105.19 99.36 1apo n GLY 52 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1apo n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1apo n HIS 53 N -1.29 0.00 -0.06 1.61 8.25 -1.25 -4.77 115.22 117.71 1apo n HIS 53 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1apo n HIS 53 Cb 0.32 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.30 1apo n HIS 53 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1apo n PRO 54 N 0.33 0.71 -2.53 -0.41 -0.04 -1.26 -4.85 135.00 126.95 1apo n PRO 54 Ca 0.00 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.33 1apo n PRO 54 Cb 0.00 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1apo n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1apo n LEU 56 N -0.99 0.00 -4.27 0.00 4.77 -0.49 -4.15 117.00 111.88 1apo n LEU 56 Ca 0.09 -1.68 -0.37 0.00 -0.03 0.00 0.00 56.01 54.02 1apo n LEU 56 Cb 0.52 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1apo n LEU 56 CO 0.40 -1.05 -0.11 -0.46 -1.33 0.00 0.00 177.39 174.83 1apo n ASN 57 N -3.17 -2.14 -2.08 -1.43 0.23 -1.26 0.18 115.26 105.59 1apo n ASN 57 Ca 0.15 -1.02 -0.15 0.00 -0.53 0.00 0.00 54.58 53.02 1apo n ASN 57 Cb 0.52 -1.84 -0.03 0.00 -2.08 0.00 0.00 39.78 36.35 1apo n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1apo n GLN 58 N -3.98 -1.79 -0.49 -3.83 6.02 -1.26 -4.94 117.38 107.11 1apo n GLN 58 Ca 0.10 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.58 1apo n GLN 58 Cb 0.47 -5.30 0.28 0.00 1.02 0.00 0.00 30.24 26.70 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 -2.13 1.45 0.16 1.08 0.00 0.49 -4.92 107.32 103.45 1apo s GLY 59 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1apo s GLY 59 CO 0.00 0.22 0.10 -1.58 0.00 0.00 0.00 173.10 171.84 1apo s HIS 60 N -2.40 3.09 -0.37 1.90 2.46 -0.21 -4.66 115.29 115.11 1apo s HIS 60 Ca 0.69 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.19 1apo s HIS 60 Cb -0.14 -1.50 0.12 0.00 -0.13 0.00 0.00 32.58 30.93 1apo s HIS 60 CO 0.59 0.52 0.18 0.00 -2.47 0.00 0.00 174.74 173.55 1apo s LYS 62 N 1.04 4.17 0.30 0.00 2.20 -0.84 -4.72 119.74 121.89 1apo s LYS 62 Ca 0.15 1.37 0.01 0.00 -0.36 0.00 0.00 55.97 57.13 1apo s LYS 62 Cb -0.21 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1apo s LYS 62 CO -0.10 -0.11 0.49 0.34 -0.36 0.00 0.00 175.35 175.61 1apo s ASP 63 N -1.79 6.33 0.00 1.43 2.15 -1.26 -1.31 116.67 122.22 1apo s ASP 63 Ca 0.59 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1apo s ASP 63 Cb -0.17 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1apo s ASP 63 CO 0.22 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 1apo n GLY 64 N -1.44 -1.46 3.51 2.66 0.00 -1.26 -4.92 105.19 102.28 1apo n GLY 64 Ca -0.05 0.74 -0.28 0.00 0.00 0.00 0.00 46.02 46.43 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 1.07 1.98 0.56 -0.61 1.01 -1.26 -4.77 121.20 119.17 1apo s ILE 65 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 60.65 60.94 1apo s ILE 65 Cb 0.00 -2.14 0.29 0.00 0.01 0.00 0.00 42.46 40.62 1apo s ILE 65 CO 0.00 0.00 1.86 1.23 0.00 0.00 0.00 174.94 178.03 1apo h GLY 66 N -2.58 0.00 -5.57 6.18 0.00 -2.02 -3.32 103.07 95.75 1apo h GLY 66 Ca -0.61 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.05 1apo h GLY 66 CO 0.52 0.00 -0.52 -0.35 0.00 0.00 0.00 176.54 176.19 1apo s ASP 67 N -4.34 6.06 0.17 0.19 -1.08 -1.26 -4.63 116.67 111.78 1apo s ASP 67 Ca -0.03 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 1apo s ASP 67 Cb 0.08 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1apo s ASP 67 CO 0.26 0.39 0.00 0.00 0.52 0.00 0.00 175.17 176.34 1apo n TYR 68 N 2.11 -0.81 -3.88 -5.34 4.11 -1.25 -4.35 117.16 107.75 1apo n TYR 68 Ca -0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.59 1apo n TYR 68 Cb 0.54 0.00 -0.13 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 0.19 0.02 -0.36 -3.48 -4.23 -0.43 -4.86 115.64 102.50 1apo s THR 69 Ca 0.00 -0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1apo s THR 69 Cb 0.00 -0.11 -0.00 0.00 1.34 0.00 0.00 72.50 73.73 1apo s THR 69 CO 0.00 -0.09 0.47 0.00 -0.54 0.00 0.00 174.62 174.46 1apo s THR 71 N 2.30 5.27 0.12 0.00 2.01 -0.51 -4.94 115.64 119.89 1apo s THR 71 Ca 0.17 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 1apo s THR 71 Cb -0.16 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1apo s THR 71 CO 0.13 0.22 0.42 0.00 -0.69 0.00 0.00 174.62 174.71 1apo s ALA 73 N -1.54 2.38 0.24 0.00 0.00 -1.26 -4.82 121.76 116.77 1apo s ALA 73 Ca 0.38 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 1apo s ALA 73 Cb -0.13 -3.07 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 1apo s ALA 73 CO 0.20 -1.64 1.42 -1.91 0.00 0.00 0.00 175.76 173.84 1apo n GLU 74 N -3.35 2.09 0.00 0.00 4.07 -1.26 0.64 120.64 122.82 1apo n GLU 74 Ca 0.07 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.91 1apo n GLU 74 Cb 0.57 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 1apo n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1apo n GLY 75 N 2.17 1.13 3.23 8.31 0.00 -1.26 -5.04 105.19 113.73 1apo n GLY 75 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.31 1.58 0.26 1.61 0.08 0.21 -2.62 117.98 116.79 1apo s PHE 76 Ca 0.00 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.52 1apo s PHE 76 Cb 0.00 -0.90 -0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1apo s PHE 76 CO 0.00 0.12 0.49 -1.21 -0.10 0.00 0.00 175.22 174.52 1apo s GLU 77 N -1.55 1.59 0.00 0.44 2.02 -1.06 -4.40 118.70 115.73 1apo s GLU 77 Ca 0.04 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1apo s GLU 77 Cb -0.09 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1apo s GLU 77 CO 0.03 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1apo n GLY 78 N -0.40 -1.42 0.16 -1.39 0.00 -1.26 -1.61 105.19 99.27 1apo n GLY 78 Ca -0.02 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 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 4.26 -0.31 0.00 1.61 3.11 -2.00 -3.16 116.57 120.08 1apo h LYS 79 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1apo h LYS 79 Cb 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1apo h LYS 79 CO 0.00 -0.21 0.00 0.09 -2.81 0.00 0.00 179.45 176.52 1apo n ASN 80 N -4.54 0.00 0.00 4.20 4.13 -1.26 -4.67 115.26 113.12 1apo n ASN 80 Ca -0.04 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1apo n ASN 80 Cb 0.13 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1apo n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1apo h GLU 82 N 0.35 0.00 -7.16 0.00 4.11 -1.79 -3.32 114.58 106.77 1apo h GLU 82 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1apo h GLU 82 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1apo h GLU 82 CO 0.00 0.00 0.37 -0.06 0.07 0.00 0.00 179.01 179.39 1apo s PHE 83 N -4.30 3.36 -0.33 2.06 0.08 -0.63 -4.92 117.98 113.29 1apo s PHE 83 Ca -0.04 1.51 0.07 0.00 0.12 0.00 0.00 56.93 58.59 1apo s PHE 83 Cb 0.11 -2.84 0.45 0.00 -0.57 0.00 0.00 43.02 40.17 1apo s PHE 83 CO 0.38 -0.39 1.16 0.43 -0.10 0.00 0.00 175.22 176.70 1apo n SER 84 N -1.36 4.79 -4.32 1.36 7.64 -1.25 -2.58 113.62 117.91 1apo n SER 84 Ca 0.07 -3.71 -0.33 0.00 1.01 0.00 0.00 58.87 55.91 1apo n SER 84 Cb 0.54 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1apo n SER 84 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1apo n THR 85 N -0.64 -1.06 -0.23 0.44 -2.24 -1.08 -4.77 114.28 104.71 1apo n THR 85 Ca 0.42 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1apo n THR 85 Cb 0.88 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1apo n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04