#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 h ASP 46 N 0.00 -1.53 0.00 6.43 5.19 -2.09 -3.44 116.42 120.98 1bf9 h ASP 46 Ca 0.00 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1bf9 h ASP 46 Cb 0.00 0.73 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1bf9 h ASP 46 CO 0.00 -0.30 0.00 0.61 -3.12 0.00 0.00 179.24 176.43 1bf9 n GLY 47 N -1.41 3.38 0.00 2.75 0.00 -1.26 -5.16 105.19 103.49 1bf9 n GLY 47 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1bf9 n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bf9 n ASP 48 N 0.00 0.00 0.09 1.61 2.03 -1.26 -5.06 116.55 113.96 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bf9 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bf9 n GLN 49 N 0.00 0.00 -0.63 -0.67 1.13 -1.26 -4.82 117.38 111.13 1bf9 n GLN 49 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1bf9 n GLN 49 Cb 0.00 -0.24 -0.01 0.00 0.11 0.00 0.00 30.24 30.10 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bf9 n ALA 51 N 1.43 1.52 -0.01 0.00 0.00 -1.26 -4.48 120.51 117.70 1bf9 n ALA 51 Ca 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1bf9 n ALA 51 Cb 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.74 2.01 -3.02 0.00 3.41 -1.25 -5.03 113.62 107.00 1bf9 n SER 52 Ca -0.32 -1.97 -0.07 0.00 -0.26 0.00 0.00 58.87 56.25 1bf9 n SER 52 Cb 1.15 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.44 -7.65 0.00 4.04 2.88 -1.26 -4.83 113.62 106.35 1bf9 n SER 53 Ca 0.01 0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.82 1bf9 n SER 53 Cb 0.25 -5.04 0.62 0.00 -0.75 0.00 0.00 64.21 59.30 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bf9 n PRO 54 N -1.06 0.63 -2.39 -1.46 -0.04 -1.26 -4.79 135.00 124.63 1bf9 n PRO 54 Ca 0.04 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1bf9 n PRO 54 Cb 0.50 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -5.03 1.55 -1.41 0.00 -0.21 -1.11 -4.81 119.66 108.65 1bf9 s GLN 56 Ca 0.56 -1.88 -0.09 0.00 0.02 0.00 0.00 55.36 53.97 1bf9 s GLN 56 Cb -0.11 -0.19 0.04 0.00 1.00 0.00 0.00 33.01 33.76 1bf9 s GLN 56 CO 0.44 -0.40 1.02 0.09 -2.12 0.00 0.00 175.29 174.32 1bf9 n ASN 57 N -0.80 -4.58 -2.31 5.90 3.02 -1.26 -0.95 115.26 114.28 1bf9 n ASN 57 Ca 0.00 -0.69 -0.17 0.00 -0.03 0.00 0.00 54.58 53.70 1bf9 n ASN 57 Cb 0.65 -4.42 -0.02 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.74 -0.25 3.82 7.41 0.00 -1.26 -4.76 105.19 108.41 1bf9 n GLY 58 Ca -0.05 0.00 -0.33 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 -2.08 2.42 0.78 -0.02 0.00 -0.13 -4.81 107.32 103.48 1bf9 s GLY 59 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 1bf9 s GLY 59 CO 0.00 0.66 1.15 -0.56 0.00 0.00 0.00 173.10 174.35 1bf9 s SER 60 N -2.14 4.81 -0.08 1.64 0.01 -1.12 -4.60 113.70 112.22 1bf9 s SER 60 Ca 0.60 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.82 1bf9 s SER 60 Cb -0.10 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1bf9 s SER 60 CO 0.14 -1.73 -0.19 0.00 0.41 0.00 0.00 173.24 171.87 1bf9 s LYS 62 N 0.45 3.26 -0.33 0.00 2.20 0.52 -4.89 119.74 120.96 1bf9 s LYS 62 Ca -0.17 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1bf9 s LYS 62 Cb -0.17 -3.04 0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1bf9 s LYS 62 CO 0.07 0.75 0.07 0.16 -0.36 0.00 0.00 175.35 176.03 1bf9 s ASP 63 N -1.00 5.14 0.00 1.43 -4.77 -1.26 -1.74 116.67 114.46 1bf9 s ASP 63 Ca 0.15 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.14 1bf9 s ASP 63 Cb -0.12 -1.80 0.00 0.00 -1.09 0.00 0.00 42.92 39.91 1bf9 s ASP 63 CO 0.04 -0.32 0.00 0.00 0.70 0.00 0.00 175.17 175.59 1bf9 n GLN 64 N 4.72 2.33 0.02 2.11 6.02 -0.47 -5.00 117.38 127.10 1bf9 n GLN 64 Ca -0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.98 1bf9 n GLN 64 Cb 0.44 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.65 1bf9 n GLN 64 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1bf9 n LEU 65 N 0.00 0.54 -0.03 1.08 0.00 -1.26 -4.27 117.00 113.06 1bf9 n LEU 65 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 56.01 55.96 1bf9 n LEU 65 Cb 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 43.42 43.24 1bf9 n LEU 65 CO 0.00 0.06 -0.79 0.00 0.00 0.00 0.00 177.39 176.65 1bf9 n GLN 66 N -2.00 0.83 0.00 1.96 1.13 -1.26 -5.08 117.38 112.96 1bf9 n GLN 66 Ca 0.01 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1bf9 n GLN 66 Cb 0.46 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1bf9 n SER 67 N -2.23 0.13 -3.55 1.08 2.88 -1.26 -5.17 113.62 105.50 1bf9 n SER 67 Ca -0.10 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.27 1bf9 n SER 67 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 1.62 -0.68 -0.08 0.66 1.13 -1.26 -1.37 117.35 117.36 1bf9 s TYR 68 Ca 0.00 1.30 -0.01 0.00 -1.41 0.00 0.00 57.07 56.96 1bf9 s TYR 68 Cb 0.00 0.38 0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1bf9 s TYR 68 CO 0.00 -0.54 -0.03 0.42 -2.51 0.00 0.00 175.55 172.89 1bf9 s ILE 69 N -0.79 0.64 0.17 -3.49 1.01 -0.71 -4.87 121.20 113.15 1bf9 s ILE 69 Ca -0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1bf9 s ILE 69 Cb -0.01 -0.73 -0.07 0.00 0.01 0.00 0.00 42.46 41.66 1bf9 s ILE 69 CO 0.07 0.30 0.94 0.00 0.00 0.00 0.00 174.94 176.25 1bf9 s PHE 71 N -0.58 4.02 0.72 0.00 0.08 -0.13 -4.71 117.98 117.38 1bf9 s PHE 71 Ca 0.44 -2.37 -0.11 0.00 0.12 0.00 0.00 56.93 55.00 1bf9 s PHE 71 Cb -0.24 -3.86 0.18 0.00 -0.57 0.00 0.00 43.02 38.52 1bf9 s PHE 71 CO 0.30 -1.00 0.40 0.00 -0.10 0.00 0.00 175.22 174.83 1bf9 n LEU 73 N 0.00 0.00 0.02 0.00 4.77 -1.26 -4.79 117.00 115.73 1bf9 n LEU 73 Ca 0.06 -1.77 0.03 0.00 -0.03 0.00 0.00 56.01 54.30 1bf9 n LEU 73 Cb 0.28 -0.47 0.14 0.00 -2.33 0.00 0.00 43.42 41.04 1bf9 n LEU 73 CO 0.18 -0.83 0.59 -2.65 -1.33 0.00 0.00 177.39 173.36 1bf9 n PRO 74 N -2.34 0.02 0.08 3.23 -0.02 -1.26 -1.79 135.00 132.91 1bf9 n PRO 74 Ca 0.13 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.90 1bf9 n PRO 74 Cb 0.47 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 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 2.12 0.20 -4.21 3.55 0.00 -1.97 -3.47 119.26 115.49 1bf9 h ALA 75 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 54.91 53.81 1bf9 h ALA 75 Cb 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bf9 h ALA 75 CO 0.00 1.07 -0.05 1.19 0.00 0.00 0.00 179.25 181.47 1bf9 n PHE 76 N -3.48 -0.90 0.00 0.00 3.01 -0.74 -0.26 117.46 115.09 1bf9 n PHE 76 Ca -0.13 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1bf9 n PHE 76 Cb 1.04 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.45 1bf9 n PHE 76 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bf9 n GLU 77 N -0.51 0.00 -0.93 -1.08 2.13 -1.23 -4.60 120.64 114.41 1bf9 n GLU 77 Ca -0.01 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.46 1bf9 n GLU 77 Cb 0.08 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.86 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bf9 n GLY 78 N -1.05 -3.71 0.32 8.31 0.00 -1.26 -4.70 105.19 103.11 1bf9 n GLY 78 Ca 0.00 -0.71 0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.20 0.00 0.00 1.61 2.43 -1.99 -1.99 114.38 113.24 1bf9 h ARG 79 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1bf9 h ARG 79 Cb 1.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1bf9 h ARG 79 CO 0.26 0.00 -0.29 -1.71 -1.51 0.00 0.00 179.97 176.73 1bf9 n ASN 80 N -3.01 1.60 -0.06 -3.80 4.05 -1.26 -3.09 115.26 109.69 1bf9 n ASN 80 Ca -0.03 -2.92 -0.01 0.00 0.45 0.00 0.00 54.58 52.08 1bf9 n ASN 80 Cb 0.09 -0.39 -0.00 0.00 1.23 0.00 0.00 39.78 40.71 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1bf9 h GLU 82 N 0.23 0.00 -2.58 0.00 4.81 -1.90 -3.31 114.58 111.82 1bf9 h GLU 82 Ca -0.02 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.45 1bf9 h GLU 82 Cb 0.77 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.84 1bf9 h GLU 82 CO 0.02 0.00 0.58 2.41 -0.73 0.00 0.00 179.01 181.30 1bf9 n THR 83 N -2.32 5.04 -1.45 0.32 -1.04 -1.26 -4.96 114.28 108.62 1bf9 n THR 83 Ca 0.03 -5.84 -0.49 0.00 -2.04 0.00 0.00 64.05 55.70 1bf9 n THR 83 Cb 0.27 -1.88 -0.08 0.00 -1.82 0.00 0.00 70.33 66.83 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 0.74 1.46 0.00 -1.42 -0.00 -1.25 -3.57 115.22 111.19 1bf9 n HIS 84 Ca 0.33 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1bf9 n HIS 84 Cb 0.32 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43