#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 0.72 0.00 4.04 -0.08 -1.26 -4.92 116.55 115.06 1bf9 n ASP 46 Ca 0.00 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1bf9 n ASP 46 Cb 0.00 0.55 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bf9 n GLY 47 N 1.29 0.30 3.22 0.27 0.00 -1.26 -4.89 105.19 104.12 1bf9 n GLY 47 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.99 0.00 1.61 -0.08 -1.26 -4.64 116.55 111.19 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1bf9 n ASP 48 Cb 0.00 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.17 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bf9 n GLN 49 N -1.82 0.00 -2.19 -0.67 3.00 -1.26 -3.81 117.38 110.63 1bf9 n GLN 49 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1bf9 n GLN 49 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.28 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 8.06 1.49 -1.74 0.00 0.00 -1.25 -4.55 120.51 122.52 1bf9 n ALA 51 Ca 0.50 -1.23 0.06 0.00 0.00 0.00 0.00 53.44 52.76 1bf9 n ALA 51 Cb 0.43 -0.14 0.15 0.00 0.00 0.00 0.00 19.45 19.89 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bf9 n SER 52 N -2.90 1.55 -2.28 0.00 2.88 -1.26 -5.01 113.62 106.60 1bf9 n SER 52 Ca -0.37 -3.26 -0.02 0.00 -1.33 0.00 0.00 58.87 53.90 1bf9 n SER 52 Cb 1.09 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bf9 n SER 53 N -0.75 -5.09 0.00 -3.46 2.88 -1.26 -4.88 113.62 101.07 1bf9 n SER 53 Ca 0.15 0.09 0.09 0.00 -1.33 0.00 0.00 58.87 57.87 1bf9 n SER 53 Cb 0.78 -3.29 0.54 0.00 -0.75 0.00 0.00 64.21 61.49 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 -0.99 0.50 -2.63 -1.46 -0.04 -1.26 -4.77 135.00 124.34 1bf9 n PRO 54 Ca 0.03 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 1bf9 n PRO 54 Cb 0.39 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.48 0.46 -4.05 0.00 6.02 -1.18 -4.81 117.38 111.34 1bf9 n GLN 56 Ca 0.10 -2.42 -0.28 0.00 -0.01 0.00 0.00 57.00 54.39 1bf9 n GLN 56 Cb 0.60 1.69 -0.04 0.00 1.02 0.00 0.00 30.24 33.51 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 -1.90 -0.31 -4.15 1.08 3.02 -1.26 -0.11 115.26 111.62 1bf9 n ASN 57 Ca 0.01 -1.10 -0.33 0.00 -0.03 0.00 0.00 54.58 53.14 1bf9 n ASN 57 Cb 0.43 -2.59 -0.03 0.00 -0.61 0.00 0.00 39.78 36.98 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 -2.15 -0.36 3.90 7.41 0.00 -1.26 -4.70 105.19 108.04 1bf9 n GLY 58 Ca -0.30 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.69 2.20 0.80 -0.02 0.00 0.84 -4.76 107.32 102.69 1bf9 s GLY 59 Ca 0.47 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 1bf9 s GLY 59 CO 0.92 -0.51 1.16 -0.45 0.00 0.00 0.00 173.10 174.23 1bf9 s SER 60 N -2.49 4.60 -0.08 1.64 0.15 -1.10 -4.60 113.70 111.81 1bf9 s SER 60 Ca 0.41 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.93 1bf9 s SER 60 Cb -0.12 -1.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 1bf9 s SER 60 CO 0.25 -1.85 -0.16 0.00 1.20 0.00 0.00 173.24 172.68 1bf9 s LYS 62 N 0.61 3.46 -0.34 0.00 2.20 0.31 -4.91 119.74 121.08 1bf9 s LYS 62 Ca -0.15 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1bf9 s LYS 62 Cb -0.16 -3.19 0.07 0.00 -1.51 0.00 0.00 37.83 33.04 1bf9 s LYS 62 CO 0.05 0.75 0.07 0.34 -0.36 0.00 0.00 175.35 176.20 1bf9 s ASP 63 N -0.95 5.03 0.55 1.43 -1.08 -1.26 -1.88 116.67 118.50 1bf9 s ASP 63 Ca 0.15 -1.51 0.07 0.00 -0.52 0.00 0.00 52.55 50.73 1bf9 s ASP 63 Cb -0.12 -1.76 0.05 0.00 -1.46 0.00 0.00 42.92 39.63 1bf9 s ASP 63 CO 0.04 -0.35 0.52 -1.10 0.52 0.00 0.00 175.17 174.79 1bf9 s GLN 64 N 1.22 2.29 0.23 4.34 -0.21 -0.21 -5.00 119.66 122.32 1bf9 s GLN 64 Ca -0.00 -1.88 0.24 0.00 0.02 0.00 0.00 55.36 53.73 1bf9 s GLN 64 Cb -0.21 -2.27 0.39 0.00 1.00 0.00 0.00 33.01 31.91 1bf9 s GLN 64 CO -0.02 -0.67 1.44 1.25 -2.12 0.00 0.00 175.29 175.17 1bf9 h LEU 65 N 0.60 0.00 0.00 2.90 5.85 -2.03 -3.31 115.31 119.32 1bf9 h LEU 65 Ca -0.35 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 1bf9 h LEU 65 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1bf9 h LEU 65 CO 0.52 0.04 -2.07 0.00 -0.34 0.00 0.00 178.44 176.59 1bf9 n GLN 66 N -2.47 0.67 0.00 1.25 0.00 -1.26 -5.07 117.38 110.49 1bf9 n GLN 66 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 57.00 56.87 1bf9 n GLN 66 Cb 0.48 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.20 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1bf9 n SER 67 N -2.36 0.00 -3.55 2.61 2.88 -1.25 -5.17 113.62 106.79 1bf9 n SER 67 Ca -0.10 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.28 1bf9 n SER 67 Cb 0.69 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.45 -0.66 -0.05 0.66 1.13 -1.26 -1.04 117.35 113.68 1bf9 s TYR 68 Ca 0.00 1.25 -0.01 0.00 -1.41 0.00 0.00 57.07 56.90 1bf9 s TYR 68 Cb 0.00 0.39 0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1bf9 s TYR 68 CO 0.00 -0.54 0.03 0.42 -2.51 0.00 0.00 175.55 172.94 1bf9 s ILE 69 N -0.86 0.11 0.35 -3.49 1.01 -0.79 -4.91 121.20 112.61 1bf9 s ILE 69 Ca -0.08 0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 1bf9 s ILE 69 Cb -0.01 -0.29 -0.10 0.00 0.01 0.00 0.00 42.46 42.07 1bf9 s ILE 69 CO 0.08 0.19 0.95 0.00 0.00 0.00 0.00 174.94 176.16 1bf9 s PHE 71 N -1.74 3.82 0.40 0.00 0.08 -0.12 -4.76 117.98 115.66 1bf9 s PHE 71 Ca 0.53 -2.82 -0.07 0.00 0.12 0.00 0.00 56.93 54.69 1bf9 s PHE 71 Cb -0.17 -3.36 0.10 0.00 -0.57 0.00 0.00 43.02 39.03 1bf9 s PHE 71 CO 0.21 -0.81 0.24 0.00 -0.10 0.00 0.00 175.22 174.76 1bf9 n LEU 73 N 0.00 0.00 0.05 0.00 4.77 -1.26 -4.81 117.00 115.74 1bf9 n LEU 73 Ca 0.04 -2.01 0.05 0.00 -0.03 0.00 0.00 56.01 54.05 1bf9 n LEU 73 Cb 0.16 -0.44 0.22 0.00 -2.33 0.00 0.00 43.42 41.03 1bf9 n LEU 73 CO 0.11 -0.78 0.64 -2.65 -1.33 0.00 0.00 177.39 173.38 1bf9 n PRO 74 N -2.29 0.04 0.06 3.23 -0.02 -1.26 -1.45 135.00 133.32 1bf9 n PRO 74 Ca 0.14 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 62.05 1bf9 n PRO 74 Cb 0.51 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 32.27 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 2.11 0.51 -2.01 3.55 0.00 -1.94 -3.47 119.26 118.01 1bf9 h ALA 75 Ca 0.00 -0.93 -0.59 0.00 0.00 0.00 0.00 54.91 53.38 1bf9 h ALA 75 Cb 0.07 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1bf9 h ALA 75 CO 0.00 1.18 -0.69 -0.06 0.00 0.00 0.00 179.25 179.68 1bf9 s PHE 76 N -2.75 2.29 -0.46 0.00 0.40 -0.53 -0.50 117.98 116.44 1bf9 s PHE 76 Ca 0.00 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1bf9 s PHE 76 Cb 0.09 -1.26 0.23 0.00 0.51 0.00 0.00 43.02 42.59 1bf9 s PHE 76 CO 0.81 0.55 0.70 -1.91 0.70 0.00 0.00 175.22 176.07 1bf9 n GLU 77 N -0.72 0.66 -3.78 0.44 2.13 -0.90 -4.38 120.64 114.09 1bf9 n GLU 77 Ca -0.05 -2.36 -0.09 0.00 0.66 0.00 0.00 57.16 55.32 1bf9 n GLU 77 Cb 0.63 -1.41 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1bf9 s GLY 78 N -0.96 -0.06 0.19 8.31 0.00 -1.26 -4.57 107.32 108.96 1bf9 s GLY 78 Ca 0.33 -0.27 0.14 0.00 0.00 0.00 0.00 44.72 44.92 1bf9 s GLY 78 CO -0.17 -0.21 1.42 -2.13 0.00 0.00 0.00 173.10 172.01 1bf9 n ARG 79 N -0.39 0.09 -0.93 2.90 3.00 -1.26 -2.24 116.66 117.82 1bf9 n ARG 79 Ca -0.08 0.56 0.02 0.00 -0.00 0.00 0.00 57.85 58.35 1bf9 n ARG 79 Cb 0.62 -1.77 0.01 0.00 0.00 0.00 0.00 32.46 31.31 1bf9 n ARG 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1bf9 n ASN 80 N -1.96 0.41 -0.36 6.15 4.13 -1.26 -3.57 115.26 118.81 1bf9 n ASN 80 Ca -0.00 -1.98 -0.05 0.00 1.68 0.00 0.00 54.58 54.23 1bf9 n ASN 80 Cb 0.04 -0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.03 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 0.06 0.00 -4.19 0.00 4.81 -1.92 -3.34 114.58 110.00 1bf9 h GLU 82 Ca -0.10 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.40 1bf9 h GLU 82 Cb 1.01 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.26 1bf9 h GLU 82 CO 0.14 0.05 2.07 2.41 -0.73 0.00 0.00 179.01 182.95 1bf9 n THR 83 N -3.22 4.12 -1.65 0.32 -1.04 -1.26 -4.94 114.28 106.60 1bf9 n THR 83 Ca -0.00 -4.21 -0.32 0.00 -2.04 0.00 0.00 64.05 57.48 1bf9 n THR 83 Cb 0.28 -2.43 -0.04 0.00 -1.82 0.00 0.00 70.33 66.32 1bf9 n THR 83 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1bf9 s HIS 84 N 1.63 1.20 -1.02 -1.42 3.76 -1.25 -2.12 115.29 116.07 1bf9 s HIS 84 Ca 0.43 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.84 1bf9 s HIS 84 Cb 0.06 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 30.11 1bf9 s HIS 84 CO -0.00 -2.28 0.25 1.63 -0.85 0.00 0.00 174.74 173.49