#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 n ASP 46 N 0.00 0.00 -2.66 6.43 5.68 -1.26 -4.90 116.55 119.84 1bf9 n ASP 46 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1bf9 n ASP 46 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bf9 n GLY 47 N 0.00 -1.09 0.12 6.12 0.00 -1.26 -4.98 105.19 104.10 1bf9 n GLY 47 Ca 0.00 0.57 -0.17 0.00 0.00 0.00 0.00 46.02 46.42 1bf9 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bf9 n ASP 48 N -1.13 1.61 -0.32 1.61 9.92 -1.26 -4.42 116.55 122.55 1bf9 n ASP 48 Ca 0.04 -0.08 0.09 0.00 -0.53 0.00 0.00 54.79 54.31 1bf9 n ASP 48 Cb 0.45 -0.18 0.20 0.00 -0.64 0.00 0.00 41.12 40.95 1bf9 n ASP 48 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1bf9 h GLN 49 N 0.01 0.03 -1.93 -1.24 1.08 -1.93 0.35 115.11 111.47 1bf9 h GLN 49 Ca -0.56 -0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.37 1bf9 h GLN 49 Cb 1.98 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 29.30 1bf9 h GLN 49 CO -0.05 0.02 0.02 0.00 -0.95 0.00 0.00 178.83 177.87 1bf9 n ALA 51 N 1.56 4.33 -1.95 0.00 0.00 0.12 -4.23 120.51 120.34 1bf9 n ALA 51 Ca 0.36 -1.86 -0.01 0.00 0.00 0.00 0.00 53.44 51.94 1bf9 n ALA 51 Cb 0.70 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1bf9 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bf9 n SER 52 N -0.30 -0.16 -3.71 0.00 3.41 -1.26 -5.02 113.62 106.57 1bf9 n SER 52 Ca 0.36 -0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 58.13 1bf9 n SER 52 Cb 1.21 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bf9 n SER 53 N -0.08 -5.20 0.00 4.04 3.41 -1.26 -4.77 113.62 109.75 1bf9 n SER 53 Ca -0.03 -0.87 0.11 0.00 -0.26 0.00 0.00 58.87 57.83 1bf9 n SER 53 Cb 0.41 -2.14 0.68 0.00 -0.26 0.00 0.00 64.21 62.90 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1bf9 n PRO 54 N -2.59 0.74 -1.93 4.33 -0.04 -1.26 -4.81 135.00 129.45 1bf9 n PRO 54 Ca -0.28 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 1bf9 n PRO 54 Cb 0.67 -1.48 0.17 0.00 -0.04 0.00 0.00 33.50 32.82 1bf9 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bf9 s GLN 56 N -5.84 1.73 -1.18 0.00 -0.21 -1.19 -4.79 119.66 108.19 1bf9 s GLN 56 Ca 0.72 -1.98 -0.32 0.00 0.02 0.00 0.00 55.36 53.79 1bf9 s GLN 56 Cb -0.05 -0.89 0.04 0.00 1.00 0.00 0.00 33.01 33.12 1bf9 s GLN 56 CO 0.52 -0.23 0.67 0.09 -2.12 0.00 0.00 175.29 174.22 1bf9 n ASN 57 N -0.81 -4.14 -4.12 5.90 3.02 -1.26 -0.83 115.26 113.02 1bf9 n ASN 57 Ca -0.04 -1.28 -0.39 0.00 -0.03 0.00 0.00 54.58 52.84 1bf9 n ASN 57 Cb 0.66 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bf9 n GLY 58 N -2.07 -0.56 3.82 7.41 0.00 -1.26 -4.61 105.19 107.91 1bf9 n GLY 58 Ca -0.13 0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1bf9 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bf9 s GLY 59 N -3.87 1.44 0.65 -0.02 0.00 -0.01 -4.57 107.32 100.94 1bf9 s GLY 59 Ca 0.29 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 1bf9 s GLY 59 CO 0.97 -1.48 1.01 -0.45 0.00 0.00 0.00 173.10 173.15 1bf9 s SER 60 N -3.85 5.54 -0.13 1.64 0.15 -1.26 -4.67 113.70 111.12 1bf9 s SER 60 Ca 0.33 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.96 1bf9 s SER 60 Cb -0.08 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1bf9 s SER 60 CO 0.25 -1.20 -0.17 0.00 1.20 0.00 0.00 173.24 173.32 1bf9 s LYS 62 N 0.55 2.18 -0.12 0.00 2.20 -0.86 -4.97 119.74 118.72 1bf9 s LYS 62 Ca -0.11 -1.26 0.03 0.00 -0.36 0.00 0.00 55.97 54.27 1bf9 s LYS 62 Cb -0.16 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1bf9 s LYS 62 CO 0.04 0.43 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.73 1bf9 s ASP 63 N -3.01 3.20 -0.39 1.43 1.11 -1.26 -1.62 116.67 116.12 1bf9 s ASP 63 Ca 0.27 -0.56 0.06 0.00 0.18 0.00 0.00 52.55 52.50 1bf9 s ASP 63 Cb -0.08 -1.45 0.53 0.00 1.07 0.00 0.00 42.92 42.99 1bf9 s ASP 63 CO 0.17 0.12 1.64 0.00 1.18 0.00 0.00 175.17 178.28 1bf9 n GLN 64 N 3.77 2.28 0.00 8.23 6.02 -0.35 -4.94 117.38 132.38 1bf9 n GLN 64 Ca -0.19 -3.28 0.00 0.00 -0.01 0.00 0.00 57.00 53.51 1bf9 n GLN 64 Cb 0.52 -2.04 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1bf9 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1bf9 n LEU 65 N -1.05 0.00 -0.32 1.08 4.77 -1.26 -3.76 117.00 116.46 1bf9 n LEU 65 Ca 0.46 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1bf9 n LEU 65 Cb 1.13 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.42 1bf9 n LEU 65 CO 0.41 0.00 1.17 0.06 -1.33 0.00 0.00 177.39 177.70 1bf9 h GLN 66 N 0.00 0.82 0.00 3.23 3.07 -2.04 -3.46 115.11 116.73 1bf9 h GLN 66 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1bf9 h GLN 66 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.38 1bf9 h GLN 66 CO 0.00 0.54 0.00 -1.13 0.09 0.00 0.00 178.83 178.33 1bf9 n SER 67 N -4.71 1.38 -3.79 0.06 3.41 -1.25 -5.13 113.62 103.59 1bf9 n SER 67 Ca 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.70 1bf9 n SER 67 Cb 0.32 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bf9 s TYR 68 N 1.56 -0.16 -0.23 7.33 1.13 -1.26 -1.21 117.35 124.50 1bf9 s TYR 68 Ca 0.00 -0.29 -0.08 0.00 -1.41 0.00 0.00 57.07 55.29 1bf9 s TYR 68 Cb 0.00 0.71 0.10 0.00 -1.10 0.00 0.00 41.96 41.67 1bf9 s TYR 68 CO 0.00 -1.19 0.50 -1.50 -2.51 0.00 0.00 175.55 170.85 1bf9 s ILE 69 N -3.72 -0.72 0.74 -3.49 1.10 -0.64 -4.83 121.20 109.63 1bf9 s ILE 69 Ca 0.12 0.11 -0.04 0.00 -0.51 0.00 0.00 60.65 60.32 1bf9 s ILE 69 Cb -0.05 -0.78 0.12 0.00 0.15 0.00 0.00 42.46 41.90 1bf9 s ILE 69 CO 0.06 0.05 1.02 0.00 -2.11 0.00 0.00 174.94 173.97 1bf9 n PHE 71 N -2.94 0.00 -2.75 0.00 3.72 -0.52 -4.50 117.46 110.46 1bf9 n PHE 71 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1bf9 n PHE 71 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1bf9 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.78 117.00 115.73 1bf9 n LEU 73 Ca 0.00 -0.98 0.02 0.00 -0.03 0.00 0.00 56.01 55.02 1bf9 n LEU 73 Cb 0.00 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1bf9 n LEU 73 CO 0.00 -0.62 0.50 -2.65 -1.33 0.00 0.00 177.39 173.29 1bf9 n PRO 74 N -1.58 0.03 0.09 3.23 -0.02 -1.26 -1.73 135.00 133.76 1bf9 n PRO 74 Ca 0.07 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1bf9 n PRO 74 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 1bf9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bf9 h ALA 75 N 2.14 0.60 -0.94 3.55 0.00 -1.93 -3.47 119.26 119.21 1bf9 h ALA 75 Ca 0.00 -0.34 -0.63 0.00 0.00 0.00 0.00 54.91 53.94 1bf9 h ALA 75 Cb 0.04 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1bf9 h ALA 75 CO 0.00 0.38 -0.50 -0.06 0.00 0.00 0.00 179.25 179.07 1bf9 s PHE 76 N -3.17 1.78 0.00 0.00 0.40 -0.70 0.63 117.98 116.92 1bf9 s PHE 76 Ca -0.00 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1bf9 s PHE 76 Cb 0.09 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1bf9 s PHE 76 CO 0.79 -0.09 0.00 -1.91 0.70 0.00 0.00 175.22 174.70 1bf9 n GLU 77 N -1.12 0.00 0.00 0.44 2.13 -1.21 -4.58 120.64 116.30 1bf9 n GLU 77 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1bf9 n GLU 77 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.37 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bf9 n GLY 78 N 0.00 0.83 0.40 8.31 0.00 -1.26 -4.32 105.19 109.14 1bf9 n GLY 78 Ca 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 1bf9 n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bf9 h ARG 79 N 0.00 -0.13 -0.39 1.61 3.08 -1.99 -1.01 114.38 115.56 1bf9 h ARG 79 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1bf9 h ARG 79 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1bf9 h ARG 79 CO 0.00 -0.08 0.00 0.09 -1.07 0.00 0.00 179.97 178.91 1bf9 n ASN 80 N -5.39 3.30 0.00 7.04 4.13 -1.26 -2.16 115.26 120.92 1bf9 n ASN 80 Ca 0.04 -2.19 0.00 0.00 1.68 0.00 0.00 54.58 54.11 1bf9 n ASN 80 Cb 0.34 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 h GLU 82 N 0.29 0.00 -4.97 0.00 4.81 -1.85 -3.31 114.58 109.55 1bf9 h GLU 82 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 1bf9 h GLU 82 Cb 0.64 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 1bf9 h GLU 82 CO 0.00 0.00 2.64 2.41 -0.73 0.00 0.00 179.01 183.33 1bf9 n THR 83 N -2.44 3.68 -1.61 0.32 -1.04 -1.26 -4.91 114.28 107.02 1bf9 n THR 83 Ca -0.02 -3.55 -0.21 0.00 -2.04 0.00 0.00 64.05 58.24 1bf9 n THR 83 Cb 0.18 -2.47 -0.06 0.00 -1.82 0.00 0.00 70.33 66.16 1bf9 n THR 83 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1bf9 s HIS 84 N 3.82 1.17 -0.23 -1.42 5.04 -1.25 -3.34 115.29 119.08 1bf9 s HIS 84 Ca 0.51 1.77 0.00 0.00 -1.54 0.00 0.00 55.06 55.80 1bf9 s HIS 84 Cb 0.09 -3.53 0.00 0.00 0.04 0.00 0.00 32.58 29.18 1bf9 s HIS 84 CO 0.00 -1.85 0.06 1.63 -2.34 0.00 0.00 174.74 172.23