#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 -2.80 0.00 6.43 9.92 -1.26 -4.69 116.55 124.14 1bf9 n ASP 46 Ca 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 1bf9 n ASP 46 Cb 0.00 -4.86 0.00 0.00 -0.64 0.00 0.00 41.12 35.62 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 -1.14 0.22 0.00 0.44 0.00 -1.26 -5.10 105.19 98.34 1bf9 n GLY 47 Ca -0.24 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.00 1.61 9.92 -1.26 -5.04 116.55 121.78 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bf9 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bf9 n GLN 49 N 0.00 0.00 0.00 -1.24 6.02 -1.26 -4.78 117.38 116.12 1bf9 n GLN 49 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 1bf9 n GLN 49 Cb 0.00 -0.15 0.88 0.00 1.02 0.00 0.00 30.24 31.99 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bf9 h ALA 51 N 3.79 -0.14 0.00 0.00 0.00 -1.96 0.40 119.26 121.35 1bf9 h ALA 51 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bf9 h ALA 51 Cb 0.10 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bf9 h ALA 51 CO 0.00 -0.64 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 1bf9 n SER 52 N -5.31 0.00 -2.46 0.00 3.41 -1.25 -4.93 113.62 103.08 1bf9 n SER 52 Ca -0.04 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1bf9 n SER 52 Cb 0.22 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bf9 n SER 53 N -1.50 -5.92 0.13 4.04 7.64 0.13 -4.95 113.62 113.19 1bf9 n SER 53 Ca 0.05 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 59.97 1bf9 n SER 53 Cb 0.25 -3.90 -0.08 0.00 -1.01 0.00 0.00 64.21 59.46 1bf9 n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bf9 h PRO 54 N 0.87 -0.30 -6.76 1.43 0.13 -1.80 -3.43 132.00 122.13 1bf9 h PRO 54 Ca 0.00 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.58 1bf9 h PRO 54 Cb 0.82 0.07 0.15 0.00 0.13 0.00 0.00 31.00 32.16 1bf9 h PRO 54 CO 0.16 -0.06 0.14 0.00 -0.23 0.00 0.00 178.00 178.02 1bf9 s GLN 56 N -2.46 1.94 -1.43 0.00 -0.21 -1.21 -4.65 119.66 111.64 1bf9 s GLN 56 Ca 0.70 -2.18 -0.11 0.00 0.02 0.00 0.00 55.36 53.80 1bf9 s GLN 56 Cb -0.46 -0.24 0.04 0.00 1.00 0.00 0.00 33.01 33.34 1bf9 s GLN 56 CO 0.51 -0.59 1.09 0.09 -2.12 0.00 0.00 175.29 174.27 1bf9 n ASN 57 N -1.54 -5.77 -0.28 5.90 3.02 -1.26 -0.88 115.26 114.45 1bf9 n ASN 57 Ca -0.01 -0.63 -0.04 0.00 -0.03 0.00 0.00 54.58 53.87 1bf9 n ASN 57 Cb 0.64 -4.56 -0.02 0.00 -0.61 0.00 0.00 39.78 35.23 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 -1.87 0.66 3.78 7.41 0.00 -1.26 -4.78 105.19 109.12 1bf9 n GLY 58 Ca 0.02 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.69 2.90 -0.18 -0.02 0.00 -0.06 -4.86 107.32 102.42 1bf9 s GLY 59 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.99 1bf9 s GLY 59 CO 0.00 0.93 0.43 -0.56 0.00 0.00 0.00 173.10 173.90 1bf9 s SER 60 N -1.34 6.51 0.27 1.64 0.01 -0.18 -4.35 113.70 116.27 1bf9 s SER 60 Ca 0.42 0.61 -0.28 0.00 1.31 0.00 0.00 55.95 58.00 1bf9 s SER 60 Cb -0.22 -2.25 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1bf9 s SER 60 CO 0.26 -0.07 0.95 0.00 0.41 0.00 0.00 173.24 174.79 1bf9 s LYS 62 N -1.52 2.37 -0.32 0.00 2.47 -0.03 -4.92 119.74 117.78 1bf9 s LYS 62 Ca 0.45 -0.90 -0.03 0.00 -1.56 0.00 0.00 55.97 53.93 1bf9 s LYS 62 Cb -0.24 -2.43 0.05 0.00 -1.46 0.00 0.00 37.83 33.76 1bf9 s LYS 62 CO 0.29 0.54 0.04 0.34 0.16 0.00 0.00 175.35 176.72 1bf9 s ASP 63 N -2.10 5.01 0.43 1.43 -1.08 -1.26 -1.75 116.67 117.35 1bf9 s ASP 63 Ca 0.22 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.99 1bf9 s ASP 63 Cb -0.11 -1.76 -0.00 0.00 -1.46 0.00 0.00 42.92 39.59 1bf9 s ASP 63 CO 0.14 -0.31 0.46 -1.10 0.52 0.00 0.00 175.17 174.89 1bf9 s GLN 64 N 1.27 2.61 0.36 4.34 -0.21 -0.13 -4.96 119.66 122.93 1bf9 s GLN 64 Ca -0.03 -1.46 0.27 0.00 0.02 0.00 0.00 55.36 54.15 1bf9 s GLN 64 Cb -0.20 -2.51 0.86 0.00 1.00 0.00 0.00 33.01 32.16 1bf9 s GLN 64 CO -0.01 -0.27 1.77 1.25 -2.12 0.00 0.00 175.29 175.91 1bf9 h LEU 65 N 0.84 0.00 0.00 2.90 6.46 -2.02 -3.11 115.31 120.38 1bf9 h LEU 65 Ca -0.40 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.10 1bf9 h LEU 65 Cb 1.27 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.16 1bf9 h LEU 65 CO 0.52 0.00 -1.98 1.67 -0.62 0.00 0.00 178.44 178.03 1bf9 n GLN 66 N -2.67 0.66 0.00 1.25 -0.06 -1.26 -5.06 117.38 110.24 1bf9 n GLN 66 Ca 0.03 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1bf9 n GLN 66 Cb 0.38 -1.64 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1bf9 n SER 67 N -2.77 0.00 -3.57 1.69 3.41 -1.18 -5.17 113.62 106.04 1bf9 n SER 67 Ca -0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.25 1bf9 n SER 67 Cb 0.98 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.00 -0.68 -0.07 7.33 -0.85 -1.26 -0.96 117.35 120.86 1bf9 s TYR 68 Ca 0.00 1.40 -0.01 0.00 -0.52 0.00 0.00 57.07 57.94 1bf9 s TYR 68 Cb 0.00 0.36 0.03 0.00 0.38 0.00 0.00 41.96 42.73 1bf9 s TYR 68 CO 0.00 -0.50 -0.02 -1.50 -1.52 0.00 0.00 175.55 172.01 1bf9 s ILE 69 N -0.56 0.53 0.70 -3.49 -1.16 -0.72 -4.91 121.20 111.59 1bf9 s ILE 69 Ca -0.06 -0.01 -0.11 0.00 -0.51 0.00 0.00 60.65 59.96 1bf9 s ILE 69 Cb -0.02 -0.63 0.01 0.00 0.61 0.00 0.00 42.46 42.43 1bf9 s ILE 69 CO 0.06 0.27 1.08 0.00 -2.81 0.00 0.00 174.94 173.54 1bf9 s PHE 71 N -3.29 0.59 0.00 0.00 0.08 0.19 -4.82 117.98 110.73 1bf9 s PHE 71 Ca 0.58 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1bf9 s PHE 71 Cb -0.12 -0.94 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1bf9 s PHE 71 CO 0.53 -0.67 0.00 0.00 -0.10 0.00 0.00 175.22 174.98 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.84 117.00 115.67 1bf9 n LEU 73 Ca 0.00 -2.12 0.03 0.00 -0.03 0.00 0.00 56.01 53.89 1bf9 n LEU 73 Cb 0.00 0.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1bf9 n LEU 73 CO 0.00 -0.40 0.58 -2.65 -1.33 0.00 0.00 177.39 173.59 1bf9 n PRO 74 N -1.13 0.00 -0.00 3.23 -0.02 -1.26 -1.82 135.00 133.99 1bf9 n PRO 74 Ca -0.08 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1bf9 n PRO 74 Cb 0.44 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 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 2.18 0.65 -1.79 3.55 0.00 -1.96 -3.48 119.26 118.42 1bf9 h ALA 75 Ca 0.00 -1.38 -0.61 0.00 0.00 0.00 0.00 54.91 52.92 1bf9 h ALA 75 Cb 0.09 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1bf9 h ALA 75 CO 0.00 1.49 -0.62 -0.06 0.00 0.00 0.00 179.25 180.06 1bf9 s PHE 76 N -2.61 2.49 0.00 0.00 0.08 -0.76 -1.09 117.98 116.09 1bf9 s PHE 76 Ca -0.07 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1bf9 s PHE 76 Cb 0.08 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1bf9 s PHE 76 CO 0.82 0.48 0.00 -1.91 -0.10 0.00 0.00 175.22 174.51 1bf9 n GLU 77 N -0.93 0.35 -1.43 0.44 4.07 -0.41 -4.23 120.64 118.50 1bf9 n GLU 77 Ca -0.05 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.16 1bf9 n GLU 77 Cb 0.65 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.97 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bf9 n GLY 78 N 0.59 -3.23 0.27 8.31 0.00 -1.26 -1.13 105.19 108.74 1bf9 n GLY 78 Ca 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.91 0.00 0.00 1.61 3.08 -1.99 -2.83 114.38 113.33 1bf9 h ARG 79 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1bf9 h ARG 79 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1bf9 h ARG 79 CO 0.05 0.09 -0.23 0.09 -1.07 0.00 0.00 179.97 178.90 1bf9 n ASN 80 N -3.62 1.92 0.00 7.04 4.13 -1.26 -3.14 115.26 120.33 1bf9 n ASN 80 Ca -0.02 -3.20 0.00 0.00 1.68 0.00 0.00 54.58 53.04 1bf9 n ASN 80 Cb 0.21 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 n GLU 82 N -0.29 0.12 -3.68 0.00 2.13 -1.25 -4.03 120.64 113.65 1bf9 n GLU 82 Ca 0.00 0.52 -0.38 0.00 0.66 0.00 0.00 57.16 57.97 1bf9 n GLU 82 Cb 0.33 -1.82 -0.09 0.00 0.27 0.00 0.00 31.44 30.13 1bf9 n GLU 82 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1bf9 s THR 83 N -3.35 3.88 -0.02 6.31 2.01 -1.26 -5.02 115.64 118.19 1bf9 s THR 83 Ca 0.01 -2.72 -0.30 0.00 0.31 0.00 0.00 61.69 58.98 1bf9 s THR 83 Cb 0.06 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1bf9 s THR 83 CO 0.22 -0.86 1.46 -1.00 -0.69 0.00 0.00 174.62 173.75 1bf9 s HIS 84 N 0.20 2.65 -2.00 4.92 3.76 -1.26 -1.29 115.29 122.28 1bf9 s HIS 84 Ca 0.15 0.67 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 1bf9 s HIS 84 Cb -0.20 -3.73 0.11 0.00 1.11 0.00 0.00 32.58 29.87 1bf9 s HIS 84 CO -0.04 -2.79 0.60 1.63 -0.85 0.00 0.00 174.74 173.29