#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 0.00 0.00 4.04 2.03 -1.26 -5.04 116.55 116.32 1bf9 n ASP 46 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bf9 n ASP 46 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bf9 n GLY 47 N -1.34 0.09 2.16 0.27 0.00 -1.26 -5.05 105.19 100.07 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 -8.84 0.13 1.61 8.00 -1.26 -4.86 116.55 111.33 1bf9 n ASP 48 Ca 0.00 1.51 -0.08 0.00 0.71 0.00 0.00 54.79 56.92 1bf9 n ASP 48 Cb 0.00 -5.05 -0.05 0.00 -0.02 0.00 0.00 41.12 36.00 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 4.42 -0.39 -4.38 -1.24 1.08 -1.96 -3.36 115.11 109.27 1bf9 h GLN 49 Ca 0.00 0.03 -0.71 0.00 -1.45 0.00 0.00 58.65 56.52 1bf9 h GLN 49 Cb 0.00 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1bf9 h GLN 49 CO 0.00 -0.16 2.80 0.00 -0.95 0.00 0.00 178.83 180.51 1bf9 n ALA 51 N 6.40 1.35 -2.62 0.00 0.00 -1.26 -4.73 120.51 119.64 1bf9 n ALA 51 Ca 0.50 -1.11 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1bf9 n ALA 51 Cb 0.40 -0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.66 2.25 -2.94 0.00 7.64 -1.26 -5.00 113.62 110.65 1bf9 n SER 52 Ca -0.50 -2.88 -0.08 0.00 1.01 0.00 0.00 58.87 56.43 1bf9 n SER 52 Cb 0.95 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.23 -7.79 0.00 6.43 7.64 -1.26 -4.84 113.62 113.57 1bf9 n SER 53 Ca 0.16 0.35 0.11 0.00 1.01 0.00 0.00 58.87 60.50 1bf9 n SER 53 Cb 0.79 -5.19 0.67 0.00 -1.01 0.00 0.00 64.21 59.47 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 -0.68 0.70 -3.88 1.43 -0.04 -1.26 -4.77 135.00 126.51 1bf9 n PRO 54 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1bf9 n PRO 54 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1bf9 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bf9 n GLN 56 N -1.33 0.26 -3.86 0.00 6.02 -1.13 -4.81 117.38 112.54 1bf9 n GLN 56 Ca -0.03 -1.79 -0.29 0.00 -0.01 0.00 0.00 57.00 54.89 1bf9 n GLN 56 Cb 0.60 1.52 0.03 0.00 1.02 0.00 0.00 30.24 33.41 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 -2.18 -4.86 -2.75 1.08 4.13 -1.26 -0.59 115.26 108.82 1bf9 n ASN 57 Ca 0.03 -0.75 -0.22 0.00 1.68 0.00 0.00 54.58 55.33 1bf9 n ASN 57 Cb 0.33 -4.06 0.01 0.00 -1.54 0.00 0.00 39.78 34.53 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bf9 n GLY 58 N -1.73 -0.51 3.87 7.41 0.00 -1.26 -4.53 105.19 108.44 1bf9 n GLY 58 Ca 0.02 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 2.30 0.88 -0.02 0.00 0.24 -4.64 107.32 103.68 1bf9 s GLY 59 Ca 0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.49 1bf9 s GLY 59 CO 0.21 -0.11 1.24 -0.56 0.00 0.00 0.00 173.10 173.88 1bf9 s SER 60 N -2.28 3.84 -0.29 1.64 0.01 -0.72 -4.53 113.70 111.36 1bf9 s SER 60 Ca 0.46 0.55 0.01 0.00 1.31 0.00 0.00 55.95 58.28 1bf9 s SER 60 Cb -0.12 -0.83 0.09 0.00 0.21 0.00 0.00 66.02 65.37 1bf9 s SER 60 CO 0.21 -2.31 0.04 0.00 0.41 0.00 0.00 173.24 171.59 1bf9 s LYS 62 N 1.35 4.32 -0.28 0.00 2.20 -0.17 -4.92 119.74 122.24 1bf9 s LYS 62 Ca 0.05 0.91 -0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1bf9 s LYS 62 Cb -0.18 -3.08 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1bf9 s LYS 62 CO -0.14 0.51 -0.02 0.34 -0.36 0.00 0.00 175.35 175.68 1bf9 s ASP 63 N -1.38 4.71 0.43 1.43 2.15 -1.26 -1.84 116.67 120.91 1bf9 s ASP 63 Ca 0.37 -1.13 0.05 0.00 0.43 0.00 0.00 52.55 52.27 1bf9 s ASP 63 Cb -0.19 -1.70 0.05 0.00 -0.30 0.00 0.00 42.92 40.78 1bf9 s ASP 63 CO 0.22 -0.22 0.43 0.00 -0.17 0.00 0.00 175.17 175.43 1bf9 n GLN 64 N 4.64 0.80 0.09 4.34 6.02 -0.41 -4.99 117.38 127.89 1bf9 n GLN 64 Ca -0.14 -2.54 0.12 0.00 -0.01 0.00 0.00 57.00 54.42 1bf9 n GLN 64 Cb 0.45 0.11 0.20 0.00 1.02 0.00 0.00 30.24 32.02 1bf9 n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1bf9 h LEU 65 N 0.00 0.00 0.00 1.08 4.07 -2.03 -3.35 115.31 115.08 1bf9 h LEU 65 Ca -0.24 -0.11 -0.33 0.00 0.08 0.00 0.00 57.88 57.27 1bf9 h LEU 65 Cb 0.97 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.65 1bf9 h LEU 65 CO 0.37 0.06 -2.24 0.00 -1.08 0.00 0.00 178.44 175.55 1bf9 n GLN 66 N -2.32 0.87 0.00 1.13 6.02 -1.26 -5.08 117.38 116.74 1bf9 n GLN 66 Ca 0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1bf9 n GLN 66 Cb 0.46 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1bf9 n SER 67 N -2.89 0.00 -3.51 1.08 7.64 -1.26 -5.06 113.62 109.62 1bf9 n SER 67 Ca -0.34 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.38 1bf9 n SER 67 Cb 1.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.15 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1bf9 s TYR 68 N 1.47 -0.62 -0.14 1.43 1.13 -1.26 -1.28 117.35 118.07 1bf9 s TYR 68 Ca 0.00 0.97 -0.01 0.00 -1.41 0.00 0.00 57.07 56.62 1bf9 s TYR 68 Cb 0.00 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1bf9 s TYR 68 CO 0.00 -0.63 -0.02 -1.50 -2.51 0.00 0.00 175.55 170.90 1bf9 s ILE 69 N -1.58 0.74 0.29 -3.49 2.07 -0.77 -4.91 121.20 113.56 1bf9 s ILE 69 Ca -0.08 -0.38 -0.28 0.00 -1.41 0.00 0.00 60.65 58.49 1bf9 s ILE 69 Cb -0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.50 1bf9 s ILE 69 CO 0.06 0.09 0.95 0.00 -1.91 0.00 0.00 174.94 174.12 1bf9 s PHE 71 N -1.43 4.03 1.26 0.00 0.40 -0.68 -4.78 117.98 116.77 1bf9 s PHE 71 Ca 0.47 -2.35 -0.20 0.00 -0.60 0.00 0.00 56.93 54.24 1bf9 s PHE 71 Cb -0.22 -3.83 0.31 0.00 0.51 0.00 0.00 43.02 39.79 1bf9 s PHE 71 CO 0.27 -0.97 1.07 0.00 0.70 0.00 0.00 175.22 176.29 1bf9 s LEU 73 N -7.16 3.00 0.17 0.00 1.43 -1.26 -4.87 118.68 109.99 1bf9 s LEU 73 Ca 0.71 -0.65 0.13 0.00 -1.03 0.00 0.00 54.13 53.29 1bf9 s LEU 73 Cb -0.10 -1.70 0.66 0.00 0.03 0.00 0.00 46.19 45.08 1bf9 s LEU 73 CO 0.56 -1.69 1.39 -2.65 0.23 0.00 0.00 176.35 174.19 1bf9 n PRO 74 N -2.60 0.08 0.11 1.29 -0.02 -1.26 -1.56 135.00 131.04 1bf9 n PRO 74 Ca 0.16 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 1bf9 n PRO 74 Cb 0.61 -1.74 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 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 2.05 0.06 -1.43 3.55 0.00 -1.94 -3.47 119.26 118.08 1bf9 h ALA 75 Ca 0.00 -0.90 -0.59 0.00 0.00 0.00 0.00 54.91 53.42 1bf9 h ALA 75 Cb 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1bf9 h ALA 75 CO 0.00 0.94 -0.50 -0.06 0.00 0.00 0.00 179.25 179.62 1bf9 s PHE 76 N -2.64 2.46 -0.44 0.00 0.40 -0.60 -1.09 117.98 116.07 1bf9 s PHE 76 Ca -0.05 -0.65 0.07 0.00 -0.60 0.00 0.00 56.93 55.70 1bf9 s PHE 76 Cb 0.06 -1.90 0.18 0.00 0.51 0.00 0.00 43.02 41.88 1bf9 s PHE 76 CO 0.89 0.19 0.68 -2.00 0.70 0.00 0.00 175.22 175.69 1bf9 s GLU 77 N -3.89 0.88 0.05 0.44 2.12 -0.63 -4.40 118.70 113.26 1bf9 s GLU 77 Ca 0.37 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.90 1bf9 s GLU 77 Cb 0.04 0.05 0.09 0.00 0.26 0.00 0.00 34.13 34.57 1bf9 s GLU 77 CO 0.20 -1.19 0.97 0.20 -0.54 0.00 0.00 175.26 174.90 1bf9 s GLY 78 N 1.52 -0.35 0.62 -1.50 0.00 -1.26 -4.40 107.32 101.94 1bf9 s GLY 78 Ca 0.21 0.64 0.32 0.00 0.00 0.00 0.00 44.72 45.89 1bf9 s GLY 78 CO -0.07 0.19 2.10 -0.09 0.00 0.00 0.00 173.10 175.23 1bf9 h ARG 79 N 2.00 0.00 0.00 2.90 9.65 -1.98 -2.03 114.38 124.92 1bf9 h ARG 79 Ca -0.23 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.61 1bf9 h ARG 79 Cb 1.23 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.71 1bf9 h ARG 79 CO 0.28 0.00 -0.52 0.09 2.80 0.00 0.00 179.97 182.62 1bf9 n ASN 80 N -3.51 1.16 -0.48 -3.80 5.03 -1.26 -2.92 115.26 109.48 1bf9 n ASN 80 Ca 0.00 -2.64 -0.06 0.00 0.87 0.00 0.00 54.58 52.75 1bf9 n ASN 80 Cb 0.31 -0.35 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bf9 h GLU 82 N 0.02 0.00 -5.31 0.00 4.81 -1.90 -3.36 114.58 108.84 1bf9 h GLU 82 Ca -0.13 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.39 1bf9 h GLU 82 Cb 1.08 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.33 1bf9 h GLU 82 CO 0.19 0.06 1.78 0.99 -0.73 0.00 0.00 179.01 181.30 1bf9 s THR 83 N -3.74 4.57 -0.33 0.32 2.01 -1.26 -4.96 115.64 112.26 1bf9 s THR 83 Ca 0.00 -2.27 -0.29 0.00 0.31 0.00 0.00 61.69 59.44 1bf9 s THR 83 Cb 0.10 -5.06 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 1bf9 s THR 83 CO 0.56 -1.83 1.71 -2.28 -0.69 0.00 0.00 174.62 172.10 1bf9 s HIS 84 N 2.91 1.94 -2.00 4.92 5.04 -1.26 -1.60 115.29 125.23 1bf9 s HIS 84 Ca 0.48 0.62 0.10 0.00 -1.54 0.00 0.00 55.06 54.72 1bf9 s HIS 84 Cb 0.01 -4.15 0.60 0.00 0.04 0.00 0.00 32.58 29.07 1bf9 s HIS 84 CO 0.04 -2.80 1.04 1.63 -2.34 0.00 0.00 174.74 172.31