#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 s ASP 46 N 0.00 1.23 0.13 6.43 1.11 -1.26 -4.71 116.67 119.60 1bf9 s ASP 46 Ca 0.00 0.01 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1bf9 s ASP 46 Cb 0.00 0.11 0.00 0.00 1.07 0.00 0.00 42.92 44.10 1bf9 s ASP 46 CO 0.00 -0.28 0.00 0.61 1.18 0.00 0.00 175.17 176.68 1bf9 n GLY 47 N 5.31 -0.13 0.00 0.21 0.00 -1.26 -4.94 105.19 104.37 1bf9 n GLY 47 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.03 0.00 -0.20 1.61 8.00 -1.26 -4.80 116.55 116.88 1bf9 n ASP 48 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1bf9 n ASP 48 Cb 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.31 0.00 -1.24 1.08 -1.97 0.41 115.11 113.08 1bf9 h GLN 49 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1bf9 h GLN 49 Cb 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1bf9 h GLN 49 CO 0.00 -0.20 0.00 0.00 -0.95 0.00 0.00 178.83 177.68 1bf9 h ALA 51 N 2.57 1.28 0.00 0.00 0.00 -0.50 -1.95 119.26 120.66 1bf9 h ALA 51 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bf9 h ALA 51 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bf9 h ALA 51 CO 0.00 0.12 -1.03 0.45 0.00 0.00 0.00 179.25 178.79 1bf9 n SER 52 N -3.61 0.95 -2.38 0.00 2.88 -0.76 -4.90 113.62 105.80 1bf9 n SER 52 Ca -0.02 -0.95 -0.03 0.00 -1.33 0.00 0.00 58.87 56.54 1bf9 n SER 52 Cb 0.22 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.70 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bf9 n SER 53 N -1.53 -5.69 0.35 -3.46 7.64 -0.73 -4.98 113.62 105.21 1bf9 n SER 53 Ca 0.04 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 60.00 1bf9 n SER 53 Cb 0.34 -3.73 -0.07 0.00 -1.01 0.00 0.00 64.21 59.74 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 0.95 -0.88 -6.79 1.43 0.13 -1.84 -3.44 132.00 121.56 1bf9 h PRO 54 Ca 0.00 0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.62 1bf9 h PRO 54 Cb 0.74 0.20 0.16 0.00 0.13 0.00 0.00 31.00 32.23 1bf9 h PRO 54 CO 0.14 -0.59 0.09 0.00 -0.23 0.00 0.00 178.00 177.42 1bf9 n GLN 56 N -0.83 0.40 -3.67 0.00 6.02 -1.00 -4.67 117.38 113.62 1bf9 n GLN 56 Ca 0.13 -3.06 -0.25 0.00 -0.01 0.00 0.00 57.00 53.81 1bf9 n GLN 56 Cb 0.47 2.43 0.06 0.00 1.02 0.00 0.00 30.24 34.22 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 -1.77 -5.32 -0.01 1.08 3.02 -1.26 -0.93 115.26 110.06 1bf9 n ASN 57 Ca 0.06 -0.62 -0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1bf9 n ASN 57 Cb 0.55 -4.70 -0.00 0.00 -0.61 0.00 0.00 39.78 35.03 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 -1.83 0.48 3.82 7.41 0.00 -1.26 -4.83 105.19 108.97 1bf9 n GLY 58 Ca -0.02 -0.19 -0.36 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 -2.17 2.60 0.59 -0.02 0.00 -0.11 -4.80 107.32 103.41 1bf9 s GLY 59 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1bf9 s GLY 59 CO 0.00 0.48 0.83 -0.56 0.00 0.00 0.00 173.10 173.85 1bf9 s SER 60 N -1.63 5.07 -0.03 1.64 0.01 -1.07 -4.11 113.70 113.58 1bf9 s SER 60 Ca 0.42 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.67 1bf9 s SER 60 Cb -0.17 -0.71 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 1bf9 s SER 60 CO 0.21 -1.31 -0.19 0.00 0.41 0.00 0.00 173.24 172.36 1bf9 s LYS 62 N -0.23 3.25 -0.30 0.00 2.20 0.38 -4.91 119.74 120.12 1bf9 s LYS 62 Ca 0.02 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1bf9 s LYS 62 Cb -0.09 -2.99 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1bf9 s LYS 62 CO 0.01 0.68 -0.01 -0.51 -0.36 0.00 0.00 175.35 175.15 1bf9 s ASP 63 N -1.69 4.83 0.36 1.43 1.01 -1.26 -1.90 116.67 119.45 1bf9 s ASP 63 Ca 0.23 -1.32 0.04 0.00 0.71 0.00 0.00 52.55 52.21 1bf9 s ASP 63 Cb -0.12 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.16 1bf9 s ASP 63 CO 0.14 -0.26 0.33 0.00 0.21 0.00 0.00 175.17 175.60 1bf9 n GLN 64 N 4.59 0.91 0.07 8.23 6.02 -0.35 -4.99 117.38 131.86 1bf9 n GLN 64 Ca -0.13 -2.13 0.12 0.00 -0.01 0.00 0.00 57.00 54.85 1bf9 n GLN 64 Cb 0.43 0.12 0.14 0.00 1.02 0.00 0.00 30.24 31.96 1bf9 n GLN 64 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1bf9 h LEU 65 N 0.00 0.00 0.00 1.08 6.46 -2.03 -3.34 115.31 117.48 1bf9 h LEU 65 Ca -0.21 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.31 1bf9 h LEU 65 Cb 0.81 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1bf9 h LEU 65 CO 0.32 0.09 -1.87 0.00 -0.62 0.00 0.00 178.44 176.36 1bf9 n GLN 66 N -2.21 0.69 0.00 1.25 10.64 -1.26 -5.08 117.38 121.42 1bf9 n GLN 66 Ca 0.03 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1bf9 n GLN 66 Cb 0.46 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.42 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bf9 n SER 67 N -2.21 0.03 -3.50 2.61 2.88 -1.25 -5.18 113.62 107.00 1bf9 n SER 67 Ca -0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.31 1bf9 n SER 67 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 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 1.83 -0.60 -0.06 0.66 -0.85 -1.26 -1.21 117.35 115.87 1bf9 s TYR 68 Ca 0.00 0.85 -0.02 0.00 -0.52 0.00 0.00 57.07 57.38 1bf9 s TYR 68 Cb 0.00 0.46 0.03 0.00 0.38 0.00 0.00 41.96 42.83 1bf9 s TYR 68 CO 0.00 -0.65 0.03 0.42 -1.52 0.00 0.00 175.55 173.83 1bf9 s ILE 69 N -1.95 0.12 0.85 -3.49 1.01 -0.80 -4.90 121.20 112.04 1bf9 s ILE 69 Ca -0.07 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1bf9 s ILE 69 Cb -0.00 -0.34 0.10 0.00 0.01 0.00 0.00 42.46 42.23 1bf9 s ILE 69 CO 0.03 0.21 1.19 0.00 0.00 0.00 0.00 174.94 176.36 1bf9 s PHE 71 N -3.58 -0.71 0.00 0.00 0.08 -0.47 -4.84 117.98 108.47 1bf9 s PHE 71 Ca 0.64 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1bf9 s PHE 71 Cb -0.11 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1bf9 s PHE 71 CO 0.50 -0.97 0.00 0.00 -0.10 0.00 0.00 175.22 174.65 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.32 -1.26 -4.87 117.00 115.19 1bf9 n LEU 73 Ca 0.00 -1.78 0.03 0.00 -0.02 0.00 0.00 56.01 54.24 1bf9 n LEU 73 Cb 0.00 0.12 0.12 0.00 -1.62 0.00 0.00 43.42 42.04 1bf9 n LEU 73 CO 0.00 -0.33 0.58 -2.65 -1.22 0.00 0.00 177.39 173.77 1bf9 n PRO 74 N -0.92 0.00 -0.01 3.23 -0.02 -1.26 -1.77 135.00 134.26 1bf9 n PRO 74 Ca -0.08 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1bf9 n PRO 74 Cb 0.37 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.17 0.68 -4.88 3.55 0.00 -1.99 -3.48 119.26 115.31 1bf9 h ALA 75 Ca 0.00 -1.40 -0.53 0.00 0.00 0.00 0.00 54.91 52.98 1bf9 h ALA 75 Cb 0.09 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1bf9 h ALA 75 CO 0.00 1.51 -0.38 1.19 0.00 0.00 0.00 179.25 181.57 1bf9 n PHE 76 N -3.15 0.89 -3.54 0.00 3.01 -0.73 -1.35 117.46 112.60 1bf9 n PHE 76 Ca -0.18 -2.01 -0.09 0.00 1.01 0.00 0.00 57.45 56.19 1bf9 n PHE 76 Cb 1.04 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 40.21 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 -3.49 0.68 0.00 -1.08 2.12 -1.17 -4.33 118.70 111.43 1bf9 s GLU 77 Ca 0.01 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1bf9 s GLU 77 Cb -0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1bf9 s GLU 77 CO 0.01 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 1bf9 n GLY 78 N 0.16 3.10 0.08 -1.50 0.00 -1.26 -1.76 105.19 104.01 1bf9 n GLY 78 Ca -0.08 -2.00 0.05 0.00 0.00 0.00 0.00 46.02 43.99 1bf9 n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bf9 n ARG 79 N -1.08 0.06 -1.03 1.61 0.63 -1.26 -2.61 116.66 112.99 1bf9 n ARG 79 Ca 0.00 0.54 -0.02 0.00 -0.92 0.00 0.00 57.85 57.44 1bf9 n ARG 79 Cb 0.00 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.10 1bf9 n ARG 79 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bf9 n ASN 80 N -1.84 -0.21 0.00 6.15 4.13 -1.26 -3.85 115.26 118.39 1bf9 n ASN 80 Ca -0.01 -1.86 0.00 0.00 1.68 0.00 0.00 54.58 54.40 1bf9 n ASN 80 Cb 0.08 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 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 -0.05 0.04 -3.15 0.00 2.13 -1.24 -3.26 120.64 115.11 1bf9 n GLU 82 Ca 0.00 0.47 -0.33 0.00 0.66 0.00 0.00 57.16 57.96 1bf9 n GLU 82 Cb 0.36 -1.61 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 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 -1.69 3.75 -1.58 6.31 -1.04 -0.72 -5.04 114.28 114.27 1bf9 n THR 83 Ca 0.01 -5.57 -0.49 0.00 -2.04 0.00 0.00 64.05 55.95 1bf9 n THR 83 Cb 0.05 -1.94 -0.04 0.00 -1.82 0.00 0.00 70.33 66.58 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 0.75 1.34 1.23 -1.42 -0.00 -1.20 -3.02 115.22 112.89 1bf9 n HIS 84 Ca 0.30 0.67 0.10 0.00 -0.00 0.00 0.00 57.72 58.79 1bf9 n HIS 84 Cb 0.37 -2.29 0.59 0.00 -0.00 0.00 0.00 29.99 28.66 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97