#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 2.73 -3.62 4.04 9.92 -1.26 -5.00 116.55 123.36 1bf9 n ASP 46 Ca 0.00 -3.00 -0.19 0.00 -0.53 0.00 0.00 54.79 51.07 1bf9 n ASP 46 Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bf9 n GLY 47 N -0.57 -1.29 0.00 0.44 0.00 -1.26 -4.88 105.19 97.63 1bf9 n GLY 47 Ca 0.23 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.88 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 -2.42 0.84 0.00 1.61 8.00 -1.26 -4.97 116.55 118.35 1bf9 n ASP 48 Ca -0.24 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1bf9 n ASP 48 Cb 0.65 1.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 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 -1.46 0.00 -0.70 -1.24 3.00 -1.26 -2.23 117.38 113.50 1bf9 n GLN 49 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 1bf9 n GLN 49 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.44 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bf9 n ALA 51 N 1.72 1.29 -0.63 0.00 0.00 -0.95 -2.24 120.51 119.71 1bf9 n ALA 51 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1bf9 n ALA 51 Cb 0.63 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.50 0.57 -2.28 0.00 7.64 -1.26 -5.07 113.62 111.72 1bf9 n SER 52 Ca 0.02 -1.19 -0.02 0.00 1.01 0.00 0.00 58.87 58.68 1bf9 n SER 52 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.10 -5.70 0.04 6.43 2.88 -0.95 -4.98 113.62 111.24 1bf9 n SER 53 Ca 0.00 0.68 -0.11 0.00 -1.33 0.00 0.00 58.87 58.11 1bf9 n SER 53 Cb 0.28 -3.69 -0.08 0.00 -0.75 0.00 0.00 64.21 59.98 1bf9 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bf9 h PRO 54 N 1.64 -0.17 -6.14 -1.46 0.13 -1.90 -3.45 132.00 120.64 1bf9 h PRO 54 Ca 0.00 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.55 1bf9 h PRO 54 Cb 0.23 0.04 0.19 0.00 0.13 0.00 0.00 31.00 31.58 1bf9 h PRO 54 CO 0.08 0.29 -1.06 0.00 -0.23 0.00 0.00 178.00 177.09 1bf9 n GLN 56 N 1.18 0.52 -3.48 0.00 6.02 -1.05 -4.65 117.38 115.92 1bf9 n GLN 56 Ca 0.07 -3.06 -0.25 0.00 -0.01 0.00 0.00 57.00 53.76 1bf9 n GLN 56 Cb 0.49 1.96 0.05 0.00 1.02 0.00 0.00 30.24 33.75 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 -1.67 -5.82 -0.67 1.08 4.13 -1.26 -0.77 115.26 110.29 1bf9 n ASN 57 Ca -0.01 -0.51 -0.08 0.00 1.68 0.00 0.00 54.58 55.67 1bf9 n ASN 57 Cb 0.55 -4.64 -0.03 0.00 -1.54 0.00 0.00 39.78 34.12 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 -1.75 0.85 3.81 7.41 0.00 -1.26 -4.70 105.19 109.55 1bf9 n GLY 58 Ca -0.02 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.87 2.68 0.34 -0.02 0.00 0.05 -4.80 107.32 102.69 1bf9 s GLY 59 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.93 1bf9 s GLY 59 CO 0.00 0.63 0.46 1.44 0.00 0.00 0.00 173.10 175.63 1bf9 n SER 60 N 0.80 0.34 -4.07 1.64 7.64 0.69 -4.36 113.62 116.29 1bf9 n SER 60 Ca -0.02 -1.35 -0.17 0.00 1.01 0.00 0.00 58.87 58.34 1bf9 n SER 60 Cb 0.51 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 1bf9 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bf9 s LYS 62 N -0.97 2.89 -0.33 0.00 2.20 0.86 -4.92 119.74 119.47 1bf9 s LYS 62 Ca -0.01 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1bf9 s LYS 62 Cb -0.07 -2.72 0.06 0.00 -1.51 0.00 0.00 37.83 33.59 1bf9 s LYS 62 CO 0.01 0.69 0.05 -0.51 -0.36 0.00 0.00 175.35 175.23 1bf9 s ASP 63 N -0.92 5.03 0.51 1.43 1.01 -1.26 -1.80 116.67 120.67 1bf9 s ASP 63 Ca 0.14 -1.40 0.06 0.00 0.71 0.00 0.00 52.55 52.05 1bf9 s ASP 63 Cb -0.11 -1.76 0.06 0.00 1.01 0.00 0.00 42.92 42.12 1bf9 s ASP 63 CO 0.03 -0.32 0.49 0.00 0.21 0.00 0.00 175.17 175.57 1bf9 n GLN 64 N 4.64 0.71 0.09 8.23 6.02 -0.27 -4.99 117.38 131.81 1bf9 n GLN 64 Ca -0.11 -3.06 0.12 0.00 -0.01 0.00 0.00 57.00 53.94 1bf9 n GLN 64 Cb 0.43 0.17 0.17 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 3.38 -2.02 -3.33 115.31 114.43 1bf9 h LEU 65 Ca -0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1bf9 h LEU 65 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1bf9 h LEU 65 CO 0.46 0.06 -1.87 0.00 0.09 0.00 0.00 178.44 177.17 1bf9 n GLN 66 N -2.33 0.60 0.00 1.13 10.64 -1.26 -5.07 117.38 121.09 1bf9 n GLN 66 Ca 0.03 -0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 1bf9 n GLN 66 Cb 0.47 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 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 -2.18 0.00 -3.54 2.61 2.88 -1.25 -5.17 113.62 106.97 1bf9 n SER 67 Ca -0.05 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.33 1bf9 n SER 67 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.96 -0.66 -0.06 0.66 -0.85 -1.26 -1.11 117.35 112.10 1bf9 s TYR 68 Ca 0.00 1.22 -0.00 0.00 -0.52 0.00 0.00 57.07 57.77 1bf9 s TYR 68 Cb 0.00 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.75 1bf9 s TYR 68 CO 0.00 -0.55 -0.03 0.42 -1.52 0.00 0.00 175.55 173.87 1bf9 s ILE 69 N -0.92 0.53 0.78 -3.49 1.01 -0.75 -4.90 121.20 113.46 1bf9 s ILE 69 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1bf9 s ILE 69 Cb -0.01 -0.61 0.06 0.00 0.01 0.00 0.00 42.46 41.91 1bf9 s ILE 69 CO 0.08 0.26 1.14 0.00 0.00 0.00 0.00 174.94 176.42 1bf9 s PHE 71 N -3.43 -0.09 0.00 0.00 0.08 -0.67 -4.79 117.98 109.08 1bf9 s PHE 71 Ca 0.61 0.35 0.00 0.00 0.12 0.00 0.00 56.93 58.01 1bf9 s PHE 71 Cb -0.12 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 1bf9 s PHE 71 CO 0.51 -0.14 0.00 0.00 -0.10 0.00 0.00 175.22 175.49 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.87 117.00 115.63 1bf9 n LEU 73 Ca 0.00 -1.45 0.02 0.00 -0.03 0.00 0.00 56.01 54.55 1bf9 n LEU 73 Cb 0.00 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1bf9 n LEU 73 CO 0.00 -0.42 0.56 -2.65 -1.33 0.00 0.00 177.39 173.55 1bf9 n PRO 74 N -1.16 0.00 0.02 3.23 -0.02 -1.26 -1.59 135.00 134.22 1bf9 n PRO 74 Ca -0.01 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.87 1bf9 n PRO 74 Cb 0.32 -1.50 -0.10 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 2.14 0.68 -1.09 3.55 0.00 -1.93 -3.47 119.26 119.14 1bf9 h ALA 75 Ca 0.00 -1.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.27 1bf9 h ALA 75 Cb 0.07 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 1bf9 h ALA 75 CO 0.00 1.12 -0.53 -0.06 0.00 0.00 0.00 179.25 179.78 1bf9 s PHE 76 N -2.82 1.92 -0.30 0.00 0.40 -0.62 0.03 117.98 116.59 1bf9 s PHE 76 Ca -0.03 -1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 55.14 1bf9 s PHE 76 Cb 0.08 -1.44 0.17 0.00 0.51 0.00 0.00 43.02 42.34 1bf9 s PHE 76 CO 0.81 0.05 0.97 -2.00 0.70 0.00 0.00 175.22 175.75 1bf9 s GLU 77 N -3.80 0.28 0.00 0.44 2.12 -1.08 -4.31 118.70 112.35 1bf9 s GLU 77 Ca 0.18 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1bf9 s GLU 77 Cb 0.03 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1bf9 s GLU 77 CO 0.10 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1bf9 n GLY 78 N 5.22 1.90 0.00 -1.50 0.00 -1.26 -4.08 105.19 105.47 1bf9 n GLY 78 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.77 0.00 -0.48 1.61 1.74 -1.26 -2.59 116.66 114.91 1bf9 n ARG 79 Ca 0.00 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1bf9 n ARG 79 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.46 0.00 -0.64 0.55 3.02 -1.26 -3.45 115.26 112.02 1bf9 n ASN 80 Ca 0.00 -1.37 -0.08 0.00 -0.03 0.00 0.00 54.58 53.10 1bf9 n ASN 80 Cb 0.02 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bf9 n GLU 82 N -1.07 0.01 -3.65 0.00 2.13 -1.26 -3.57 120.64 113.22 1bf9 n GLU 82 Ca -0.08 0.39 -0.29 0.00 0.66 0.00 0.00 57.16 57.84 1bf9 n GLU 82 Cb 0.48 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.48 2.25 -1.95 6.31 -1.04 -1.26 -5.06 114.28 112.05 1bf9 n THR 83 Ca 0.01 -5.08 -0.43 0.00 -2.04 0.00 0.00 64.05 56.51 1bf9 n THR 83 Cb 0.06 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 66.37 1bf9 n THR 83 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1bf9 s HIS 84 N -1.91 1.81 -1.30 -1.42 -3.43 -1.23 -2.64 115.29 105.17 1bf9 s HIS 84 Ca 0.31 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1bf9 s HIS 84 Cb 0.03 -4.00 0.00 0.00 -1.43 0.00 0.00 32.58 27.18 1bf9 s HIS 84 CO -0.09 -3.78 0.33 1.63 -2.00 0.00 0.00 174.74 170.82