#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 -3.46 5.68 -1.26 -5.13 116.55 112.38 1bf9 n ASP 46 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1bf9 n ASP 46 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bf9 n GLY 47 N 0.00 0.23 0.00 6.12 0.00 -1.26 -4.99 105.19 105.28 1bf9 n GLY 47 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.04 1.61 8.00 -1.26 -4.97 116.55 119.97 1bf9 n ASP 48 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bf9 n ASP 48 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bf9 n GLN 49 N -0.42 0.01 0.00 -1.24 6.02 -1.26 -4.70 117.38 115.79 1bf9 n GLN 49 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1bf9 n GLN 49 Cb 0.00 -0.51 0.27 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.64 2.46 -1.94 0.00 0.00 -1.26 -3.37 120.51 115.75 1bf9 n ALA 51 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1bf9 n ALA 51 Cb 0.03 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.87 0.00 -3.21 0.00 7.64 -1.23 -4.92 113.62 111.03 1bf9 n SER 52 Ca 0.15 -1.47 -0.10 0.00 1.01 0.00 0.00 58.87 58.46 1bf9 n SER 52 Cb 0.07 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bf9 n SER 53 N 0.00 -7.03 0.00 6.43 2.88 -1.22 -4.83 113.62 109.86 1bf9 n SER 53 Ca 0.00 -0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.49 1bf9 n SER 53 Cb 0.59 -4.27 0.64 0.00 -0.75 0.00 0.00 64.21 60.42 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 -1.56 0.81 -3.12 -1.46 -0.04 -1.25 -4.80 135.00 123.58 1bf9 n PRO 54 Ca -0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 1bf9 n PRO 54 Cb 0.55 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 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 -4.40 1.65 -1.43 0.00 -0.21 -1.21 -4.77 119.66 109.29 1bf9 s GLN 56 Ca 0.50 -1.93 -0.10 0.00 0.02 0.00 0.00 55.36 53.85 1bf9 s GLN 56 Cb -0.10 -0.66 0.05 0.00 1.00 0.00 0.00 33.01 33.30 1bf9 s GLN 56 CO 0.34 -0.27 1.04 0.09 -2.12 0.00 0.00 175.29 174.37 1bf9 n ASN 57 N -0.76 -4.95 -2.41 5.90 3.02 -1.26 -0.92 115.26 113.88 1bf9 n ASN 57 Ca -0.02 -0.68 -0.17 0.00 -0.03 0.00 0.00 54.58 53.67 1bf9 n ASN 57 Cb 0.66 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.78 -0.48 3.84 7.41 0.00 -1.26 -4.73 105.19 108.20 1bf9 n GLY 58 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.04 1.92 0.77 -0.02 0.00 -0.10 -4.79 107.32 103.06 1bf9 s GLY 59 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 1bf9 s GLY 59 CO 0.00 0.42 1.15 -0.45 0.00 0.00 0.00 173.10 174.21 1bf9 s SER 60 N -3.40 4.84 -0.22 1.64 0.15 -0.98 -4.66 113.70 111.07 1bf9 s SER 60 Ca 0.58 0.93 0.01 0.00 0.70 0.00 0.00 55.95 58.17 1bf9 s SER 60 Cb -0.12 -1.55 0.06 0.00 -1.71 0.00 0.00 66.02 62.70 1bf9 s SER 60 CO 0.41 -1.71 -0.06 0.00 1.20 0.00 0.00 173.24 173.08 1bf9 s LYS 62 N 1.42 3.83 -0.30 0.00 2.20 -0.04 -4.92 119.74 121.94 1bf9 s LYS 62 Ca -0.05 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1bf9 s LYS 62 Cb -0.18 -2.78 0.05 0.00 -1.51 0.00 0.00 37.83 33.41 1bf9 s LYS 62 CO -0.07 0.40 -0.01 0.34 -0.36 0.00 0.00 175.35 175.66 1bf9 s ASP 63 N -2.12 4.84 0.50 1.43 -1.08 -1.26 -1.89 116.67 117.09 1bf9 s ASP 63 Ca 0.43 -1.32 0.06 0.00 -0.52 0.00 0.00 52.55 51.20 1bf9 s ASP 63 Cb -0.13 -1.69 0.06 0.00 -1.46 0.00 0.00 42.92 39.70 1bf9 s ASP 63 CO 0.20 -0.26 0.51 0.00 0.52 0.00 0.00 175.17 176.15 1bf9 n GLN 64 N 4.59 0.72 0.10 4.34 6.02 -0.30 -4.98 117.38 127.87 1bf9 n GLN 64 Ca -0.13 -2.94 0.12 0.00 -0.01 0.00 0.00 57.00 54.04 1bf9 n GLN 64 Cb 0.43 0.10 0.23 0.00 1.02 0.00 0.00 30.24 32.01 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 -2.02 -3.31 115.31 115.13 1bf9 h LEU 65 Ca -0.28 -0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.47 1bf9 h LEU 65 Cb 1.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 1bf9 h LEU 65 CO 0.43 0.05 -2.04 0.00 -1.08 0.00 0.00 178.44 175.80 1bf9 n GLN 66 N -2.33 0.72 0.00 1.13 0.00 -1.26 -5.07 117.38 110.57 1bf9 n GLN 66 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 57.00 56.91 1bf9 n GLN 66 Cb 0.46 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1bf9 n SER 67 N -2.36 0.00 -3.52 2.61 3.41 -1.25 -5.17 113.62 107.34 1bf9 n SER 67 Ca -0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.32 1bf9 n SER 67 Cb 0.71 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.63 -0.13 7.33 1.13 -1.26 -1.15 117.35 122.63 1bf9 s TYR 68 Ca 0.00 1.06 -0.01 0.00 -1.41 0.00 0.00 57.07 56.70 1bf9 s TYR 68 Cb 0.00 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1bf9 s TYR 68 CO 0.00 -0.59 -0.02 -1.50 -2.51 0.00 0.00 175.55 170.93 1bf9 s ILE 69 N -1.26 0.76 0.24 -3.49 2.07 -0.79 -4.90 121.20 113.84 1bf9 s ILE 69 Ca -0.10 -0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.51 1bf9 s ILE 69 Cb -0.00 -0.97 -0.09 0.00 0.13 0.00 0.00 42.46 41.53 1bf9 s ILE 69 CO 0.08 0.14 0.95 0.00 -1.91 0.00 0.00 174.94 174.21 1bf9 s PHE 71 N -1.19 3.90 1.41 0.00 0.08 -0.57 -4.62 117.98 116.98 1bf9 s PHE 71 Ca 0.41 -2.52 -0.22 0.00 0.12 0.00 0.00 56.93 54.72 1bf9 s PHE 71 Cb -0.26 -3.63 0.36 0.00 -0.57 0.00 0.00 43.02 38.92 1bf9 s PHE 71 CO 0.32 -0.91 0.86 0.00 -0.10 0.00 0.00 175.22 175.40 1bf9 n LEU 73 N -5.39 0.00 0.00 0.00 4.77 -1.26 -4.81 117.00 110.30 1bf9 n LEU 73 Ca 0.11 -1.84 0.03 0.00 -0.03 0.00 0.00 56.01 54.28 1bf9 n LEU 73 Cb 0.58 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1bf9 n LEU 73 CO 0.43 -0.75 0.58 -2.65 -1.33 0.00 0.00 177.39 173.67 1bf9 n PRO 74 N -2.17 0.00 0.12 3.23 -0.02 -1.26 -1.48 135.00 133.42 1bf9 n PRO 74 Ca 0.13 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1bf9 n PRO 74 Cb 0.47 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.69 -4.24 3.55 0.00 -1.98 -3.48 119.26 115.98 1bf9 h ALA 75 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1bf9 h ALA 75 Cb 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1bf9 h ALA 75 CO 0.00 0.59 -0.21 1.19 0.00 0.00 0.00 179.25 180.82 1bf9 n PHE 76 N -3.09 0.22 -3.27 0.00 3.01 -0.55 -0.30 117.46 113.48 1bf9 n PHE 76 Ca -0.01 -1.12 0.03 0.00 1.01 0.00 0.00 57.45 57.36 1bf9 n PHE 76 Cb 0.73 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 40.12 1bf9 n PHE 76 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1bf9 s GLU 77 N -2.72 0.37 0.00 -1.08 4.04 -1.00 -4.59 118.70 113.72 1bf9 s GLU 77 Ca 0.06 0.76 0.00 0.00 0.04 0.00 0.00 54.97 55.82 1bf9 s GLU 77 Cb 0.00 0.44 0.00 0.00 0.02 0.00 0.00 34.13 34.59 1bf9 s GLU 77 CO 0.04 -0.29 0.00 0.41 -1.84 0.00 0.00 175.26 173.58 1bf9 n GLY 78 N 5.32 3.14 0.00 -3.83 0.00 -1.26 -3.67 105.19 104.89 1bf9 n GLY 78 Ca -0.06 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.35 0.06 -0.69 1.61 0.63 -1.26 -2.54 116.66 113.12 1bf9 n ARG 79 Ca 0.00 0.28 0.01 0.00 -0.92 0.00 0.00 57.85 57.22 1bf9 n ARG 79 Cb 0.00 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 -1.41 0.19 -1.27 6.15 4.13 -1.26 -3.16 115.26 118.62 1bf9 n ASN 80 Ca 0.03 -2.00 -0.13 0.00 1.68 0.00 0.00 54.58 54.16 1bf9 n ASN 80 Cb 0.09 -0.22 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 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 0.87 -3.91 0.00 4.22 -1.84 -3.24 114.58 110.68 1bf9 h GLU 82 Ca -0.27 -0.07 -0.74 0.00 0.08 0.00 0.00 59.36 58.36 1bf9 h GLU 82 Cb 0.93 -0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.85 1bf9 h GLU 82 CO 0.39 0.60 2.04 2.41 -2.18 0.00 0.00 179.01 182.27 1bf9 n THR 83 N -4.41 4.21 -2.04 0.32 -1.04 -1.24 -4.96 114.28 105.12 1bf9 n THR 83 Ca 0.07 -4.29 -0.42 0.00 -2.04 0.00 0.00 64.05 57.37 1bf9 n THR 83 Cb 0.06 -2.41 -0.03 0.00 -1.82 0.00 0.00 70.33 66.14 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 1.11 1.83 -0.27 -1.42 5.65 -1.22 -2.36 115.29 118.60 1bf9 s HIS 84 Ca 0.42 0.67 0.00 0.00 0.25 0.00 0.00 55.06 56.40 1bf9 s HIS 84 Cb 0.07 -4.13 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 1bf9 s HIS 84 CO -0.00 -2.71 0.07 1.63 -0.65 0.00 0.00 174.74 173.08