#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 0.00 -3.46 8.00 -1.26 -5.04 116.55 114.79 1bf9 n ASP 46 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bf9 n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bf9 n GLY 47 N 1.48 1.99 0.07 0.44 0.00 -1.26 -4.89 105.19 103.02 1bf9 n GLY 47 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.38 0.00 1.61 8.00 -1.26 -4.88 116.55 120.40 1bf9 n ASP 48 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1bf9 n ASP 48 Cb 0.00 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bf9 n GLN 49 N -2.58 0.00 0.00 -1.24 1.13 -1.26 -4.15 117.38 109.28 1bf9 n GLN 49 Ca -0.10 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.12 1bf9 n GLN 49 Cb 0.73 -0.57 0.82 0.00 0.11 0.00 0.00 30.24 31.34 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bf9 h ALA 51 N 3.62 0.32 0.00 0.00 0.00 -1.93 -1.58 119.26 119.70 1bf9 h ALA 51 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bf9 h ALA 51 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bf9 h ALA 51 CO 0.00 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1bf9 n SER 52 N -4.76 0.00 -2.49 0.00 3.41 -1.24 -4.87 113.62 103.67 1bf9 n SER 52 Ca -0.03 0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 58.98 1bf9 n SER 52 Cb 0.15 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bf9 n SER 53 N -1.47 -5.19 0.26 4.04 2.88 -0.59 -4.96 113.62 108.59 1bf9 n SER 53 Ca 0.02 -0.22 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 1bf9 n SER 53 Cb 0.10 -3.49 -0.08 0.00 -0.75 0.00 0.00 64.21 59.98 1bf9 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bf9 h PRO 54 N -0.15 -0.61 -6.18 -1.46 0.13 -1.79 -3.44 132.00 118.51 1bf9 h PRO 54 Ca -0.17 0.04 -0.51 0.00 -0.87 0.00 0.00 66.00 64.49 1bf9 h PRO 54 Cb 1.09 0.14 0.25 0.00 0.13 0.00 0.00 31.00 32.60 1bf9 h PRO 54 CO 0.22 -0.36 -1.99 0.00 -0.23 0.00 0.00 178.00 175.64 1bf9 n GLN 56 N 1.40 0.00 -4.12 0.00 6.02 0.08 -4.73 117.38 116.02 1bf9 n GLN 56 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1bf9 n GLN 56 Cb 0.65 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.88 1bf9 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bf9 n ASN 57 N -2.59 -1.78 -3.58 1.08 4.13 -1.26 0.89 115.26 112.15 1bf9 n ASN 57 Ca 0.00 -1.23 -0.25 0.00 1.68 0.00 0.00 54.58 54.78 1bf9 n ASN 57 Cb 0.00 -1.97 0.06 0.00 -1.54 0.00 0.00 39.78 36.33 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bf9 n GLY 58 N -2.24 -0.53 3.99 7.41 0.00 -1.26 -4.70 105.19 107.86 1bf9 n GLY 58 Ca -0.22 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.21 1.95 0.33 -0.02 0.00 0.26 -4.72 107.32 101.90 1bf9 s GLY 59 Ca 0.56 -1.79 0.09 0.00 0.00 0.00 0.00 44.72 43.57 1bf9 s GLY 59 CO 0.70 -1.59 0.08 -0.56 0.00 0.00 0.00 173.10 171.73 1bf9 s SER 60 N -4.38 4.51 -0.04 1.64 0.01 -1.26 -4.58 113.70 109.60 1bf9 s SER 60 Ca 0.55 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 57.04 1bf9 s SER 60 Cb -0.08 -0.68 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 1bf9 s SER 60 CO 0.33 -0.24 -0.22 0.00 0.41 0.00 0.00 173.24 173.52 1bf9 s LYS 62 N -0.20 3.85 -0.40 0.00 2.47 0.13 -4.78 119.74 120.80 1bf9 s LYS 62 Ca -0.00 0.04 -0.11 0.00 -1.56 0.00 0.00 55.97 54.34 1bf9 s LYS 62 Cb -0.12 -3.29 0.05 0.00 -1.46 0.00 0.00 37.83 33.02 1bf9 s LYS 62 CO 0.02 0.56 0.25 0.16 0.16 0.00 0.00 175.35 176.50 1bf9 s ASP 63 N -0.49 5.74 0.00 1.43 -4.77 -1.26 -1.78 116.67 115.55 1bf9 s ASP 63 Ca 0.17 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.17 1bf9 s ASP 63 Cb -0.13 -2.03 0.00 0.00 -1.09 0.00 0.00 42.92 39.67 1bf9 s ASP 63 CO 0.05 -0.48 0.00 0.00 0.70 0.00 0.00 175.17 175.44 1bf9 n GLN 64 N 4.99 3.69 0.00 2.11 6.02 -0.62 -5.01 117.38 128.57 1bf9 n GLN 64 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1bf9 n GLN 64 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 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 0.00 0.00 -1.56 1.08 4.32 -1.26 -4.22 117.00 115.35 1bf9 n LEU 65 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1bf9 n LEU 65 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1bf9 n LEU 65 CO 0.00 0.00 0.89 0.00 -1.22 0.00 0.00 177.39 177.06 1bf9 n GLN 66 N 0.00 1.54 -2.74 3.23 10.64 -1.26 -4.87 117.38 123.91 1bf9 n GLN 66 Ca 0.00 -1.23 -0.06 0.00 -1.83 0.00 0.00 57.00 53.88 1bf9 n GLN 66 Cb 0.00 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 27.90 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1bf9 n SER 67 N -0.02 -1.15 -3.50 2.61 3.41 -1.26 -5.13 113.62 108.59 1bf9 n SER 67 Ca 0.24 -1.99 -0.16 0.00 -0.26 0.00 0.00 58.87 56.70 1bf9 n SER 67 Cb 0.89 1.97 -0.05 0.00 -0.26 0.00 0.00 64.21 66.76 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 -4.60 -0.58 -0.06 7.33 1.13 -1.26 -1.58 117.35 117.73 1bf9 s TYR 68 Ca 0.12 0.78 -0.02 0.00 -1.41 0.00 0.00 57.07 56.54 1bf9 s TYR 68 Cb -0.02 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1bf9 s TYR 68 CO 0.09 -0.68 0.03 0.42 -2.51 0.00 0.00 175.55 172.89 1bf9 s ILE 69 N -2.14 0.17 0.94 -3.49 1.01 -0.73 -4.88 121.20 112.08 1bf9 s ILE 69 Ca -0.07 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1bf9 s ILE 69 Cb -0.00 -0.38 0.18 0.00 0.01 0.00 0.00 42.46 42.26 1bf9 s ILE 69 CO 0.01 0.21 1.27 0.00 0.00 0.00 0.00 174.94 176.44 1bf9 n PHE 71 N -3.72 0.00 -2.66 0.00 3.01 -0.81 -4.83 117.46 108.44 1bf9 n PHE 71 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1bf9 n PHE 71 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1bf9 n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.75 117.00 115.76 1bf9 n LEU 73 Ca 0.00 -1.54 0.04 0.00 -0.03 0.00 0.00 56.01 54.48 1bf9 n LEU 73 Cb 0.00 0.08 0.17 0.00 -2.33 0.00 0.00 43.42 41.35 1bf9 n LEU 73 CO 0.00 -0.32 0.60 -2.65 -1.33 0.00 0.00 177.39 173.69 1bf9 n PRO 74 N -0.89 0.03 -0.06 3.23 -0.02 -1.26 -1.55 135.00 134.48 1bf9 n PRO 74 Ca -0.06 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1bf9 n PRO 74 Cb 0.32 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.69 1bf9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bf9 n ALA 75 N -1.43 2.52 -3.02 3.55 0.00 -1.26 -4.87 120.51 116.01 1bf9 n ALA 75 Ca 0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 1bf9 n ALA 75 Cb 0.08 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 1bf9 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bf9 s PHE 76 N -1.83 0.53 -0.25 0.00 0.40 -0.59 -1.18 117.98 115.06 1bf9 s PHE 76 Ca 0.34 -0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 1bf9 s PHE 76 Cb 0.19 0.06 0.17 0.00 0.51 0.00 0.00 43.02 43.95 1bf9 s PHE 76 CO 0.29 -0.95 1.23 -1.83 0.70 0.00 0.00 175.22 174.66 1bf9 s GLU 77 N -3.97 0.26 0.00 0.44 -1.05 -1.24 -4.59 118.70 108.55 1bf9 s GLU 77 Ca 0.25 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 1bf9 s GLU 77 Cb 0.01 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1bf9 s GLU 77 CO 0.10 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1bf9 n GLY 78 N 0.82 1.50 0.32 -3.83 0.00 -1.26 -3.79 105.19 98.96 1bf9 n GLY 78 Ca -0.05 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.01 -0.08 1.61 3.08 -1.99 -1.44 114.38 115.55 1bf9 h ARG 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bf9 h ARG 79 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bf9 h ARG 79 CO 0.00 -0.01 0.00 0.09 -1.07 0.00 0.00 179.97 178.98 1bf9 n ASN 80 N -5.54 2.36 -0.64 7.04 5.03 -1.26 -3.35 115.26 118.90 1bf9 n ASN 80 Ca 0.12 -2.31 -0.08 0.00 0.87 0.00 0.00 54.58 53.18 1bf9 n ASN 80 Cb 0.43 -0.17 -0.04 0.00 -1.02 0.00 0.00 39.78 38.98 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bf9 h GLU 82 N 0.01 0.00 -4.97 0.00 4.81 -1.86 -3.31 114.58 109.27 1bf9 h GLU 82 Ca -0.17 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.36 1bf9 h GLU 82 Cb 1.13 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1bf9 h GLU 82 CO 0.25 0.00 2.66 2.41 -0.73 0.00 0.00 179.01 183.60 1bf9 n THR 83 N -2.85 3.71 -1.40 0.32 -1.04 -1.25 -4.93 114.28 106.84 1bf9 n THR 83 Ca -0.02 -3.58 -0.50 0.00 -2.04 0.00 0.00 64.05 57.90 1bf9 n THR 83 Cb 0.07 -2.48 -0.10 0.00 -1.82 0.00 0.00 70.33 66.01 1bf9 n THR 83 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1bf9 n HIS 84 N 7.29 1.23 0.00 -1.42 -0.00 -1.25 -3.83 115.22 117.24 1bf9 n HIS 84 Ca 0.50 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 1bf9 n HIS 84 Cb 0.43 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97