#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 1.25 0.00 6.43 5.75 -1.26 -4.96 116.55 123.77 1bf9 n ASP 46 Ca 0.00 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1bf9 n ASP 46 Cb 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bf9 n GLY 47 N -0.28 -0.90 2.16 6.12 0.00 -1.26 -5.14 105.19 105.89 1bf9 n GLY 47 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.85 -8.75 -0.27 1.61 9.92 -1.26 -4.58 116.55 112.37 1bf9 n ASP 48 Ca 0.00 1.52 0.05 0.00 -0.53 0.00 0.00 54.79 55.83 1bf9 n ASP 48 Cb 0.00 -5.01 0.19 0.00 -0.64 0.00 0.00 41.12 35.66 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 4.40 0.53 -4.57 -1.24 7.50 -1.96 -3.12 115.11 116.64 1bf9 h GLN 49 Ca 0.00 -0.03 -0.70 0.00 0.50 0.00 0.00 58.65 58.41 1bf9 h GLN 49 Cb 0.00 -0.12 -0.06 0.00 0.05 0.00 0.00 27.48 27.35 1bf9 h GLN 49 CO 0.00 0.35 2.73 0.00 -1.50 0.00 0.00 178.83 180.41 1bf9 n ALA 51 N 6.66 1.85 -0.88 0.00 0.00 -1.18 -4.49 120.51 122.46 1bf9 n ALA 51 Ca 0.50 -1.12 0.05 0.00 0.00 0.00 0.00 53.44 52.86 1bf9 n ALA 51 Cb 0.41 -0.33 0.07 0.00 0.00 0.00 0.00 19.45 19.60 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bf9 n SER 52 N -2.62 1.70 -2.35 0.00 7.64 -1.26 -5.05 113.62 111.68 1bf9 n SER 52 Ca -0.25 -2.43 -0.00 0.00 1.01 0.00 0.00 58.87 57.20 1bf9 n SER 52 Cb 1.00 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bf9 n SER 53 N -0.83 -6.12 0.31 6.43 2.88 -1.26 -4.96 113.62 110.07 1bf9 n SER 53 Ca 0.08 1.01 -0.14 0.00 -1.33 0.00 0.00 58.87 58.48 1bf9 n SER 53 Cb 0.52 -4.05 -0.07 0.00 -0.75 0.00 0.00 64.21 59.86 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 2.16 -0.79 -7.05 -1.46 0.13 -1.93 -3.44 132.00 119.61 1bf9 h PRO 54 Ca -0.01 0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.62 1bf9 h PRO 54 Cb 0.02 0.18 0.15 0.00 0.13 0.00 0.00 31.00 31.48 1bf9 h PRO 54 CO 0.07 -0.49 0.51 0.00 -0.23 0.00 0.00 178.00 177.86 1bf9 s GLN 56 N -3.13 1.83 -1.37 0.00 -0.21 -0.87 -4.67 119.66 111.25 1bf9 s GLN 56 Ca 0.78 -2.09 -0.09 0.00 0.02 0.00 0.00 55.36 53.99 1bf9 s GLN 56 Cb -0.40 0.06 0.02 0.00 1.00 0.00 0.00 33.01 33.69 1bf9 s GLN 56 CO 0.44 -0.62 1.16 0.09 -2.12 0.00 0.00 175.29 174.25 1bf9 n ASN 57 N -1.53 -6.04 -0.05 5.90 4.13 -1.26 -0.98 115.26 115.43 1bf9 n ASN 57 Ca 0.04 -0.56 -0.01 0.00 1.68 0.00 0.00 54.58 55.72 1bf9 n ASN 57 Cb 0.63 -4.95 -0.00 0.00 -1.54 0.00 0.00 39.78 33.92 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 -1.95 0.47 3.78 7.41 0.00 -1.26 -4.82 105.19 108.82 1bf9 n GLY 58 Ca -0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.20 2.81 0.71 -0.02 0.00 -0.15 -4.79 107.32 103.67 1bf9 s GLY 59 Ca 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 44.72 45.16 1bf9 s GLY 59 CO 0.00 0.96 1.04 -0.45 0.00 0.00 0.00 173.10 174.65 1bf9 s SER 60 N -1.59 4.95 -0.09 1.64 0.15 -0.63 -4.28 113.70 113.86 1bf9 s SER 60 Ca 0.49 0.64 0.03 0.00 0.70 0.00 0.00 55.95 57.82 1bf9 s SER 60 Cb -0.19 -1.33 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 1bf9 s SER 60 CO 0.24 -1.54 -0.18 0.00 1.20 0.00 0.00 173.24 172.96 1bf9 s LYS 62 N 0.55 2.42 -0.25 0.00 2.20 -0.53 -4.95 119.74 119.19 1bf9 s LYS 62 Ca -0.16 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1bf9 s LYS 62 Cb -0.17 -2.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1bf9 s LYS 62 CO 0.06 0.59 -0.03 -0.51 -0.36 0.00 0.00 175.35 175.10 1bf9 s ASP 63 N -1.29 4.45 0.14 1.43 1.01 -1.26 -0.84 116.67 120.32 1bf9 s ASP 63 Ca 0.15 -0.65 0.07 0.00 0.71 0.00 0.00 52.55 52.83 1bf9 s ASP 63 Cb -0.11 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 1bf9 s ASP 63 CO 0.05 -0.10 -0.15 -1.10 0.21 0.00 0.00 175.17 174.09 1bf9 s GLN 64 N 1.42 1.13 0.00 8.23 -0.21 0.65 -4.95 119.66 125.93 1bf9 s GLN 64 Ca 0.03 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.08 1bf9 s GLN 64 Cb -0.16 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1bf9 s GLN 64 CO -0.03 0.20 0.17 1.28 -2.12 0.00 0.00 175.29 174.79 1bf9 n LEU 65 N 0.33 0.00 -0.55 2.90 4.32 -1.26 -0.95 117.00 121.80 1bf9 n LEU 65 Ca -0.14 0.17 0.42 0.00 -0.02 0.00 0.00 56.01 56.44 1bf9 n LEU 65 Cb 0.58 0.00 0.64 0.00 -1.62 0.00 0.00 43.42 43.02 1bf9 n LEU 65 CO 0.29 0.00 1.16 0.00 -1.22 0.00 0.00 177.39 177.62 1bf9 n GLN 66 N -0.32 -0.00 -3.47 3.23 6.02 -1.26 -4.72 117.38 116.86 1bf9 n GLN 66 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1bf9 n GLN 66 Cb 0.00 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.29 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bf9 n SER 67 N -3.55 0.00 -4.67 1.08 2.88 -0.12 -5.15 113.62 104.09 1bf9 n SER 67 Ca 0.35 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.60 1bf9 n SER 67 Cb 1.58 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.96 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bf9 s TYR 68 N -2.77 2.90 -0.07 0.66 1.13 -1.25 -0.25 117.35 117.69 1bf9 s TYR 68 Ca 0.00 -0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.56 1bf9 s TYR 68 Cb 0.00 -1.46 0.03 0.00 -1.10 0.00 0.00 41.96 39.42 1bf9 s TYR 68 CO 0.00 0.49 -0.01 -1.50 -2.51 0.00 0.00 175.55 172.02 1bf9 s ILE 69 N -1.46 0.46 0.84 -3.49 2.07 -0.02 -4.88 121.20 114.72 1bf9 s ILE 69 Ca 0.26 0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 59.43 1bf9 s ILE 69 Cb -0.11 -0.60 0.10 0.00 0.13 0.00 0.00 42.46 41.99 1bf9 s ILE 69 CO 0.18 0.27 1.20 0.00 -1.91 0.00 0.00 174.94 174.68 1bf9 s PHE 71 N -3.61 -0.55 0.00 0.00 0.08 -0.57 -4.85 117.98 108.48 1bf9 s PHE 71 Ca 0.64 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1bf9 s PHE 71 Cb -0.10 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1bf9 s PHE 71 CO 0.50 -0.94 0.00 0.00 -0.10 0.00 0.00 175.22 174.67 1bf9 n LEU 73 N 0.00 0.00 0.04 0.00 4.32 -1.26 -4.80 117.00 115.30 1bf9 n LEU 73 Ca 0.00 -1.83 0.04 0.00 -0.02 0.00 0.00 56.01 54.20 1bf9 n LEU 73 Cb 0.00 0.17 0.20 0.00 -1.62 0.00 0.00 43.42 42.17 1bf9 n LEU 73 CO 0.00 -0.29 0.62 -2.65 -1.22 0.00 0.00 177.39 173.85 1bf9 n PRO 74 N -0.82 0.04 0.03 3.23 -0.02 -1.26 -1.65 135.00 134.54 1bf9 n PRO 74 Ca -0.11 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 1bf9 n PRO 74 Cb 0.37 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.07 0.46 -0.48 3.55 0.00 -1.98 -3.48 119.26 119.40 1bf9 h ALA 75 Ca 0.00 -1.27 -0.67 0.00 0.00 0.00 0.00 54.91 52.97 1bf9 h ALA 75 Cb 0.05 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 1bf9 h ALA 75 CO 0.00 1.32 -0.52 -0.06 0.00 0.00 0.00 179.25 179.98 1bf9 s PHE 76 N -2.60 1.91 -0.30 0.00 0.40 -0.66 -1.47 117.98 115.26 1bf9 s PHE 76 Ca -0.10 -0.94 -0.10 0.00 -0.60 0.00 0.00 56.93 55.19 1bf9 s PHE 76 Cb 0.07 -1.61 0.18 0.00 0.51 0.00 0.00 43.02 42.17 1bf9 s PHE 76 CO 0.82 0.24 0.96 -2.00 0.70 0.00 0.00 175.22 175.94 1bf9 s GLU 77 N -3.86 0.25 0.00 0.44 2.12 -1.17 -4.14 118.70 112.34 1bf9 s GLU 77 Ca 0.08 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.81 1bf9 s GLU 77 Cb 0.02 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1bf9 s GLU 77 CO 0.04 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 1bf9 n GLY 78 N 5.39 0.79 0.20 -1.50 0.00 -1.26 -4.16 105.19 104.65 1bf9 n GLY 78 Ca -0.02 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.00 1.61 2.47 -2.00 -2.80 114.38 113.66 1bf9 h ARG 79 Ca 0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1bf9 h ARG 79 Cb 0.00 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.10 1bf9 h ARG 79 CO 0.00 0.00 -0.54 0.09 0.56 0.00 0.00 179.97 180.08 1bf9 n ASN 80 N -2.34 -0.34 -0.43 7.04 3.02 -1.26 -3.83 115.26 117.12 1bf9 n ASN 80 Ca -0.01 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.47 1bf9 n ASN 80 Cb 0.19 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bf9 n GLU 82 N -0.27 0.05 -3.40 0.00 2.13 -1.26 -3.56 120.64 114.32 1bf9 n GLU 82 Ca -0.06 0.30 -0.31 0.00 0.66 0.00 0.00 57.16 57.75 1bf9 n GLU 82 Cb 0.50 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.65 1bf9 n GLU 82 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bf9 n THR 83 N -1.41 3.00 -1.68 6.31 -1.04 -1.26 -5.06 114.28 113.14 1bf9 n THR 83 Ca 0.03 -5.34 -0.45 0.00 -2.04 0.00 0.00 64.05 56.25 1bf9 n THR 83 Cb 0.08 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.42 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 1.17 2.43 0.24 -1.42 -0.00 -1.23 -3.04 115.22 113.36 1bf9 n HIS 84 Ca 0.28 0.09 0.02 0.00 -0.00 0.00 0.00 57.72 58.10 1bf9 n HIS 84 Cb 0.38 -2.63 0.11 0.00 -0.00 0.00 0.00 29.99 27.86 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97