#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 -2.71 0.00 -3.46 5.75 -1.26 -4.80 116.55 110.07 1bf9 n ASP 46 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1bf9 n ASP 46 Cb 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 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 2.84 0.12 0.00 6.12 0.00 -1.26 -5.11 105.19 107.90 1bf9 n GLY 47 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.09 1.61 9.92 -1.26 -5.09 116.55 121.83 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 -0.64 -1.24 6.02 -1.26 -4.84 117.38 115.42 1bf9 n GLN 49 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1bf9 n GLN 49 Cb 0.00 -0.12 0.12 0.00 1.02 0.00 0.00 30.24 31.25 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bf9 n ALA 51 N -0.29 5.60 -1.88 0.00 0.00 -1.26 -4.28 120.51 118.40 1bf9 n ALA 51 Ca 0.30 -2.90 -0.04 0.00 0.00 0.00 0.00 53.44 50.79 1bf9 n ALA 51 Cb 1.09 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.15 -0.64 -3.86 0.00 7.64 -1.26 -4.49 113.62 109.86 1bf9 n SER 52 Ca 0.60 -1.44 -0.34 0.00 1.01 0.00 0.00 58.87 58.70 1bf9 n SER 52 Cb 1.67 0.19 0.01 0.00 -1.01 0.00 0.00 64.21 65.08 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bf9 n SER 53 N 0.00 -4.77 0.00 6.43 7.64 -1.26 -4.77 113.62 116.89 1bf9 n SER 53 Ca -0.18 -1.07 0.11 0.00 1.01 0.00 0.00 58.87 58.74 1bf9 n SER 53 Cb 0.57 -2.08 0.65 0.00 -1.01 0.00 0.00 64.21 62.35 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bf9 n PRO 54 N -3.82 0.77 -3.42 1.43 -0.04 -1.26 -4.79 135.00 123.87 1bf9 n PRO 54 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.04 1bf9 n PRO 54 Cb 0.62 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.29 1.62 -1.41 0.00 -0.21 -1.20 -4.74 119.66 109.43 1bf9 s GLN 56 Ca 0.40 -1.91 -0.09 0.00 0.02 0.00 0.00 55.36 53.78 1bf9 s GLN 56 Cb -0.10 -0.57 0.04 0.00 1.00 0.00 0.00 33.01 33.39 1bf9 s GLN 56 CO 0.35 -0.30 1.04 0.09 -2.12 0.00 0.00 175.29 174.36 1bf9 n ASN 57 N -0.75 -4.84 -2.01 5.90 3.02 -1.26 -0.87 115.26 114.46 1bf9 n ASN 57 Ca -0.02 -0.67 -0.20 0.00 -0.03 0.00 0.00 54.58 53.66 1bf9 n ASN 57 Cb 0.66 -4.50 -0.04 0.00 -0.61 0.00 0.00 39.78 35.29 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 -1.76 0.48 3.79 7.41 0.00 -1.26 -4.67 105.19 109.17 1bf9 n GLY 58 Ca -0.04 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.36 2.73 0.79 -0.02 0.00 -0.05 -4.79 107.32 103.62 1bf9 s GLY 59 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 1bf9 s GLY 59 CO 0.00 0.90 1.16 -0.56 0.00 0.00 0.00 173.10 174.60 1bf9 s SER 60 N -1.71 4.70 -0.20 1.64 0.01 -1.08 -4.50 113.70 112.56 1bf9 s SER 60 Ca 0.52 0.86 0.01 0.00 1.31 0.00 0.00 55.95 58.65 1bf9 s SER 60 Cb -0.17 -1.42 0.03 0.00 0.21 0.00 0.00 66.02 64.66 1bf9 s SER 60 CO 0.22 -1.79 -0.18 0.00 0.41 0.00 0.00 173.24 171.90 1bf9 s LYS 62 N 1.26 3.85 -0.32 0.00 2.20 -0.01 -4.92 119.74 121.79 1bf9 s LYS 62 Ca 0.02 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1bf9 s LYS 62 Cb -0.14 -3.22 0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1bf9 s LYS 62 CO -0.11 0.70 0.06 0.16 -0.36 0.00 0.00 175.35 175.80 1bf9 s ASP 63 N -1.04 5.13 0.55 1.43 -4.77 -1.26 -1.88 116.67 114.84 1bf9 s ASP 63 Ca 0.22 -1.23 0.07 0.00 -3.30 0.00 0.00 52.55 48.31 1bf9 s ASP 63 Cb -0.16 -1.80 0.05 0.00 -1.09 0.00 0.00 42.92 39.93 1bf9 s ASP 63 CO 0.12 -0.31 0.53 -1.10 0.70 0.00 0.00 175.17 175.11 1bf9 s GLN 64 N 1.33 2.27 0.19 2.11 -0.21 -0.30 -4.99 119.66 120.06 1bf9 s GLN 64 Ca -0.03 -1.89 0.24 0.00 0.02 0.00 0.00 55.36 53.70 1bf9 s GLN 64 Cb -0.20 -2.28 0.44 0.00 1.00 0.00 0.00 33.01 31.97 1bf9 s GLN 64 CO 0.01 -0.70 1.45 1.25 -2.12 0.00 0.00 175.29 175.18 1bf9 h LEU 65 N 0.56 0.00 0.00 2.90 6.46 -2.03 -3.32 115.31 119.89 1bf9 h LEU 65 Ca -0.34 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.23 1bf9 h LEU 65 Cb 1.30 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1bf9 h LEU 65 CO 0.52 0.05 -1.97 0.00 -0.62 0.00 0.00 178.44 176.42 1bf9 n GLN 66 N -2.32 0.71 0.00 1.25 1.13 -1.26 -5.07 117.38 111.81 1bf9 n GLN 66 Ca 0.04 -0.13 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1bf9 n GLN 66 Cb 0.46 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1bf9 n SER 67 N -2.29 0.08 -3.55 1.08 3.41 -1.25 -5.17 113.62 105.93 1bf9 n SER 67 Ca -0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.35 1bf9 n SER 67 Cb 0.65 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.59 -0.65 -0.05 7.33 1.13 -1.26 -1.14 117.35 124.29 1bf9 s TYR 68 Ca 0.00 1.24 -0.01 0.00 -1.41 0.00 0.00 57.07 56.88 1bf9 s TYR 68 Cb 0.00 0.39 0.03 0.00 -1.10 0.00 0.00 41.96 41.28 1bf9 s TYR 68 CO 0.00 -0.54 0.03 0.42 -2.51 0.00 0.00 175.55 172.95 1bf9 s ILE 69 N -0.86 0.13 0.31 -3.49 1.01 -0.79 -4.92 121.20 112.59 1bf9 s ILE 69 Ca -0.08 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 1bf9 s ILE 69 Cb -0.01 -0.31 -0.10 0.00 0.01 0.00 0.00 42.46 42.05 1bf9 s ILE 69 CO 0.07 0.20 0.94 0.00 0.00 0.00 0.00 174.94 176.15 1bf9 s PHE 71 N -1.55 3.94 1.21 0.00 0.40 -0.17 -4.68 117.98 117.13 1bf9 s PHE 71 Ca 0.49 -2.49 -0.20 0.00 -0.60 0.00 0.00 56.93 54.12 1bf9 s PHE 71 Cb -0.20 -3.68 0.31 0.00 0.51 0.00 0.00 43.02 39.97 1bf9 s PHE 71 CO 0.25 -0.92 0.77 0.00 0.70 0.00 0.00 175.22 176.02 1bf9 s LEU 73 N 0.00 3.06 0.19 0.00 1.43 -1.26 -4.85 118.68 117.25 1bf9 s LEU 73 Ca 0.57 -0.90 0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1bf9 s LEU 73 Cb -0.09 -1.61 0.73 0.00 0.03 0.00 0.00 46.19 45.24 1bf9 s LEU 73 CO 0.47 -1.24 1.42 -2.65 0.23 0.00 0.00 176.35 174.58 1bf9 n PRO 74 N -2.11 0.09 0.06 1.29 -0.02 -1.26 -1.21 135.00 131.83 1bf9 n PRO 74 Ca 0.11 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1bf9 n PRO 74 Cb 0.62 -1.78 -0.12 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 2.02 0.37 -4.15 3.55 0.00 -1.94 -3.47 119.26 115.64 1bf9 h ALA 75 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 54.91 53.84 1bf9 h ALA 75 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1bf9 h ALA 75 CO 0.00 1.27 -0.10 1.19 0.00 0.00 0.00 179.25 181.61 1bf9 n PHE 76 N -3.34 0.21 -3.58 0.00 3.01 -0.35 -0.69 117.46 112.72 1bf9 n PHE 76 Ca -0.01 -0.52 -0.13 0.00 1.01 0.00 0.00 57.45 57.81 1bf9 n PHE 76 Cb 0.95 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 40.30 1bf9 n PHE 76 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bf9 s GLU 77 N -2.37 0.73 0.00 -1.08 2.02 -0.34 -4.56 118.70 113.10 1bf9 s GLU 77 Ca 0.01 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1bf9 s GLU 77 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1bf9 s GLU 77 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1bf9 n GLY 78 N 1.40 3.24 0.00 -1.39 0.00 -1.26 -1.23 105.19 105.94 1bf9 n GLY 78 Ca -0.14 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 43.97 1bf9 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bf9 n ARG 79 N -1.06 0.15 -0.66 1.61 1.74 -1.26 -2.54 116.66 114.64 1bf9 n ARG 79 Ca 0.00 0.19 0.01 0.00 -0.77 0.00 0.00 57.85 57.29 1bf9 n ARG 79 Cb 0.00 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 29.96 1bf9 n ARG 79 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bf9 n ASN 80 N -1.32 0.37 -1.08 0.55 4.13 -1.26 -2.66 115.26 113.99 1bf9 n ASN 80 Ca 0.05 -2.10 -0.12 0.00 1.68 0.00 0.00 54.58 54.09 1bf9 n ASN 80 Cb 0.10 -0.24 -0.05 0.00 -1.54 0.00 0.00 39.78 38.05 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 h GLU 82 N 0.00 0.00 -3.24 0.00 4.81 -1.84 -3.29 114.58 111.01 1bf9 h GLU 82 Ca -0.24 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 58.19 1bf9 h GLU 82 Cb 0.98 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.12 1bf9 h GLU 82 CO 0.36 0.02 1.05 2.41 -0.73 0.00 0.00 179.01 182.11 1bf9 n THR 83 N -3.17 4.95 -1.98 0.32 -1.04 -0.37 -4.97 114.28 108.03 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 0.21 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.46 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 -1.63 1.81 -2.00 -1.42 5.04 -1.24 -1.20 115.29 114.65 1bf9 s HIS 84 Ca 0.34 0.54 0.00 0.00 -1.54 0.00 0.00 55.06 54.40 1bf9 s HIS 84 Cb 0.03 -4.08 0.02 0.00 0.04 0.00 0.00 32.58 28.60 1bf9 s HIS 84 CO 0.05 -3.17 0.52 1.63 -2.34 0.00 0.00 174.74 171.43