#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 -8.61 -2.66 6.43 9.92 -1.26 -5.04 116.55 115.33 1bf9 n ASP 46 Ca 0.00 1.71 -0.03 0.00 -0.53 0.00 0.00 54.79 55.94 1bf9 n ASP 46 Cb 0.00 -4.92 0.12 0.00 -0.64 0.00 0.00 41.12 35.68 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bf9 n GLY 47 N 1.69 -1.69 0.00 0.44 0.00 -1.26 -4.94 105.19 99.44 1bf9 n GLY 47 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 0.56 3.66 -0.32 1.61 8.00 -1.26 -4.75 116.55 124.05 1bf9 n ASP 48 Ca -0.06 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.54 1bf9 n ASP 48 Cb 0.76 0.17 0.23 0.00 -0.02 0.00 0.00 41.12 42.27 1bf9 n ASP 48 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1bf9 h GLN 49 N 0.00 0.04 -1.89 -1.24 1.08 -1.95 0.50 115.11 111.65 1bf9 h GLN 49 Ca 0.00 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1bf9 h GLN 49 Cb 0.83 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.18 1bf9 h GLN 49 CO 0.00 0.03 0.05 0.00 -0.95 0.00 0.00 178.83 177.96 1bf9 n ALA 51 N 1.40 3.29 -2.20 0.00 0.00 0.17 -4.32 120.51 118.86 1bf9 n ALA 51 Ca 0.24 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.30 1bf9 n ALA 51 Cb 0.63 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.06 1.15 -3.39 0.00 3.41 -1.26 -5.02 113.62 106.45 1bf9 n SER 52 Ca 0.01 -2.52 -0.12 0.00 -0.26 0.00 0.00 58.87 55.97 1bf9 n SER 52 Cb 0.46 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.00 -6.45 0.00 4.04 3.41 -1.26 -4.81 113.62 108.54 1bf9 n SER 53 Ca 0.09 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.36 1bf9 n SER 53 Cb 0.99 -3.63 0.68 0.00 -0.26 0.00 0.00 64.21 61.99 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 -2.08 0.75 -3.17 4.33 -0.04 -1.26 -4.78 135.00 128.75 1bf9 n PRO 54 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 1bf9 n PRO 54 Cb 0.59 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.37 1.57 -1.40 0.00 -0.21 -1.04 -4.80 119.66 109.41 1bf9 s GLN 56 Ca 0.54 -1.87 -0.07 0.00 0.02 0.00 0.00 55.36 53.97 1bf9 s GLN 56 Cb -0.07 -0.55 0.04 0.00 1.00 0.00 0.00 33.01 33.42 1bf9 s GLN 56 CO 0.33 -0.27 0.94 0.09 -2.12 0.00 0.00 175.29 174.25 1bf9 n ASN 57 N -0.66 -3.72 -2.70 5.90 3.02 -1.26 -0.91 115.26 114.93 1bf9 n ASN 57 Ca -0.01 -0.73 -0.15 0.00 -0.03 0.00 0.00 54.58 53.65 1bf9 n ASN 57 Cb 0.66 -4.27 -0.00 0.00 -0.61 0.00 0.00 39.78 35.56 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 -1.66 -0.50 3.82 7.41 0.00 -1.26 -4.68 105.19 108.32 1bf9 n GLY 58 Ca -0.10 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.24 1.69 0.78 -0.02 0.00 -0.09 -4.80 107.32 102.64 1bf9 s GLY 59 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 1bf9 s GLY 59 CO 0.14 0.39 1.15 -0.45 0.00 0.00 0.00 173.10 174.33 1bf9 s SER 60 N -3.79 4.76 -0.24 1.64 0.15 -0.82 -4.73 113.70 110.68 1bf9 s SER 60 Ca 0.58 0.91 -0.01 0.00 0.70 0.00 0.00 55.95 58.13 1bf9 s SER 60 Cb -0.14 -1.51 0.07 0.00 -1.71 0.00 0.00 66.02 62.73 1bf9 s SER 60 CO 0.54 -1.76 0.03 0.00 1.20 0.00 0.00 173.24 173.25 1bf9 s LYS 62 N 1.67 3.31 -0.26 0.00 2.20 -0.72 -4.85 119.74 121.09 1bf9 s LYS 62 Ca 0.01 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1bf9 s LYS 62 Cb -0.18 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1bf9 s LYS 62 CO -0.12 0.54 0.03 0.34 -0.36 0.00 0.00 175.35 175.78 1bf9 s ASP 63 N -2.99 4.83 0.00 1.43 -1.08 -1.26 -1.52 116.67 116.07 1bf9 s ASP 63 Ca 0.34 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1bf9 s ASP 63 Cb -0.11 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 1bf9 s ASP 63 CO 0.27 -0.09 0.00 0.00 0.52 0.00 0.00 175.17 175.87 1bf9 n GLN 64 N 4.85 2.06 0.05 4.34 6.02 -0.34 -4.94 117.38 129.43 1bf9 n GLN 64 Ca -0.16 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.94 1bf9 n GLN 64 Cb 0.50 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.82 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 0.67 -0.03 1.08 4.77 -1.26 -4.10 117.00 118.13 1bf9 n LEU 65 Ca 0.00 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1bf9 n LEU 65 Cb 0.00 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1bf9 n LEU 65 CO 0.00 -0.04 -0.80 0.00 -1.33 0.00 0.00 177.39 175.23 1bf9 n GLN 66 N -2.16 0.80 0.00 3.23 6.02 -1.26 -5.07 117.38 118.94 1bf9 n GLN 66 Ca 0.02 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1bf9 n GLN 66 Cb 0.46 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 -2.24 0.00 -3.56 1.08 2.88 -1.26 -5.16 113.62 105.36 1bf9 n SER 67 Ca -0.10 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.28 1bf9 n SER 67 Cb 0.62 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 -0.64 -0.19 0.66 1.13 -1.26 -1.19 117.35 115.85 1bf9 s TYR 68 Ca 0.00 1.25 0.01 0.00 -1.41 0.00 0.00 57.07 56.92 1bf9 s TYR 68 Cb 0.00 0.38 0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1bf9 s TYR 68 CO 0.00 -0.50 -0.11 -1.50 -2.51 0.00 0.00 175.55 170.92 1bf9 s ILE 69 N -0.74 1.69 0.32 -3.49 2.07 -0.58 -4.89 121.20 115.58 1bf9 s ILE 69 Ca -0.06 -0.99 -0.26 0.00 -1.41 0.00 0.00 60.65 57.92 1bf9 s ILE 69 Cb -0.01 -1.73 -0.10 0.00 0.13 0.00 0.00 42.46 40.75 1bf9 s ILE 69 CO 0.06 0.22 0.95 0.00 -1.91 0.00 0.00 174.94 174.26 1bf9 s PHE 71 N -1.57 3.96 1.41 0.00 0.40 -0.59 -4.70 117.98 116.89 1bf9 s PHE 71 Ca 0.49 -2.60 -0.23 0.00 -0.60 0.00 0.00 56.93 54.00 1bf9 s PHE 71 Cb -0.20 -3.62 0.35 0.00 0.51 0.00 0.00 43.02 40.07 1bf9 s PHE 71 CO 0.25 -0.90 0.81 0.00 0.70 0.00 0.00 175.22 176.08 1bf9 s LEU 73 N -6.79 3.16 0.20 0.00 1.43 -1.26 -4.78 118.68 110.63 1bf9 s LEU 73 Ca 0.63 -0.75 0.14 0.00 -1.03 0.00 0.00 54.13 53.12 1bf9 s LEU 73 Cb -0.12 -1.79 0.75 0.00 0.03 0.00 0.00 46.19 45.06 1bf9 s LEU 73 CO 0.53 -1.32 1.43 -2.65 0.23 0.00 0.00 176.35 174.58 1bf9 n PRO 74 N -2.25 0.09 0.08 1.29 -0.02 -1.26 -1.32 135.00 131.61 1bf9 n PRO 74 Ca 0.15 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1bf9 n PRO 74 Cb 0.61 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.02 0.24 -4.24 3.55 0.00 -1.97 -3.47 119.26 115.38 1bf9 h ALA 75 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 54.91 53.83 1bf9 h ALA 75 Cb 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bf9 h ALA 75 CO 0.00 1.12 -0.10 1.19 0.00 0.00 0.00 179.25 181.46 1bf9 n PHE 76 N -3.43 0.19 -3.62 0.00 3.01 -0.43 -0.99 117.46 112.18 1bf9 n PHE 76 Ca -0.06 -0.55 -0.10 0.00 1.01 0.00 0.00 57.45 57.74 1bf9 n PHE 76 Cb 0.99 -0.08 -0.06 0.00 -0.01 0.00 0.00 39.48 40.32 1bf9 n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1bf9 s GLU 77 N -2.41 0.59 0.00 -1.08 -6.30 -0.10 -4.52 118.70 104.87 1bf9 s GLU 77 Ca 0.00 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 52.98 1bf9 s GLU 77 Cb -0.00 0.28 0.00 0.00 0.00 0.00 0.00 34.13 34.41 1bf9 s GLU 77 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1bf9 n GLY 78 N 1.83 3.53 0.23 -1.50 0.00 -1.26 -1.61 105.19 106.40 1bf9 n GLY 78 Ca -0.12 -1.82 0.16 0.00 0.00 0.00 0.00 46.02 44.23 1bf9 n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bf9 h ARG 79 N 0.00 0.00 0.00 1.61 9.65 -1.99 -2.78 114.38 120.87 1bf9 h ARG 79 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1bf9 h ARG 79 Cb 0.00 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 1bf9 h ARG 79 CO 0.00 0.00 -0.45 -1.71 2.80 0.00 0.00 179.97 180.61 1bf9 n ASN 80 N -2.66 0.82 -0.54 -3.80 2.85 -1.26 -2.44 115.26 108.22 1bf9 n ASN 80 Ca -0.01 -2.38 -0.07 0.00 -0.11 0.00 0.00 54.58 52.01 1bf9 n ASN 80 Cb 0.13 -0.29 -0.03 0.00 1.24 0.00 0.00 39.78 40.83 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bf9 h GLU 82 N 0.01 0.00 -3.23 0.00 4.81 -1.85 -3.27 114.58 111.06 1bf9 h GLU 82 Ca -0.14 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.32 1bf9 h GLU 82 Cb 1.11 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.18 1bf9 h GLU 82 CO 0.21 0.00 0.33 2.41 -0.73 0.00 0.00 179.01 181.23 1bf9 n THR 83 N -2.35 4.21 -2.23 0.32 -1.04 -0.64 -5.00 114.28 107.56 1bf9 n THR 83 Ca -0.01 -5.45 -0.43 0.00 -2.04 0.00 0.00 64.05 56.12 1bf9 n THR 83 Cb 0.07 -2.36 -0.02 0.00 -1.82 0.00 0.00 70.33 66.19 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 -1.80 2.38 -1.54 -1.42 5.04 -1.23 -0.93 115.29 115.79 1bf9 s HIS 84 Ca 0.31 0.66 0.00 0.00 -1.54 0.00 0.00 55.06 54.49 1bf9 s HIS 84 Cb -0.04 -3.84 0.00 0.00 0.04 0.00 0.00 32.58 28.75 1bf9 s HIS 84 CO -0.04 -2.54 0.38 1.63 -2.34 0.00 0.00 174.74 171.83