#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff7 n ASP 46 N 0.00 0.00 0.00 -3.46 8.00 -1.26 -5.07 116.55 114.76 1ff7 n ASP 46 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ff7 n ASP 46 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ff7 n GLY 47 N 0.69 0.23 3.40 0.44 0.00 -1.26 -5.04 105.19 103.65 1ff7 n GLY 47 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 1ff7 n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ff7 s ASP 48 N -4.00 2.94 -0.02 1.61 1.11 -1.26 -4.80 116.67 112.26 1ff7 s ASP 48 Ca 0.00 -1.06 0.20 0.00 0.18 0.00 0.00 52.55 51.87 1ff7 s ASP 48 Cb 0.00 -0.20 0.34 0.00 1.07 0.00 0.00 42.92 44.14 1ff7 s ASP 48 CO 0.00 -0.15 1.14 0.00 1.18 0.00 0.00 175.17 177.34 1ff7 n GLN 49 N -0.50 0.12 -2.68 8.23 6.02 -1.26 -4.87 117.38 122.43 1ff7 n GLN 49 Ca -0.07 -1.90 -0.08 0.00 -0.01 0.00 0.00 57.00 54.94 1ff7 n GLN 49 Cb 0.61 -0.22 0.05 0.00 1.02 0.00 0.00 30.24 31.69 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ff7 h ALA 51 N 2.80 0.21 -0.51 0.00 0.00 -2.04 -3.37 119.26 116.35 1ff7 h ALA 51 Ca -0.13 -1.11 -0.23 0.00 0.00 0.00 0.00 54.91 53.43 1ff7 h ALA 51 Cb 1.21 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 1ff7 h ALA 51 CO 0.38 0.83 0.11 0.45 0.00 0.00 0.00 179.25 181.02 1ff7 n SER 52 N -3.98 3.08 -2.85 0.00 2.88 -1.26 -5.01 113.62 106.48 1ff7 n SER 52 Ca -0.26 -3.61 -0.02 0.00 -1.33 0.00 0.00 58.87 53.65 1ff7 n SER 52 Cb 0.87 -0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 1ff7 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ff7 n SER 53 N -0.99 -5.47 0.08 -3.46 2.88 -1.26 -4.88 113.62 100.52 1ff7 n SER 53 Ca 0.38 1.12 -0.06 0.00 -1.33 0.00 0.00 58.87 58.98 1ff7 n SER 53 Cb 1.18 -3.89 0.08 0.00 -0.75 0.00 0.00 64.21 60.84 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ff7 h PRO 54 N 3.83 0.25 -6.96 -1.46 0.13 -1.91 -3.45 132.00 122.44 1ff7 h PRO 54 Ca -0.17 -0.19 -0.46 0.00 -0.87 0.00 0.00 66.00 64.31 1ff7 h PRO 54 Cb 0.58 0.04 0.05 0.00 0.13 0.00 0.00 31.00 31.80 1ff7 h PRO 54 CO 0.04 0.83 0.06 0.00 -0.23 0.00 0.00 178.00 178.69 1ff7 n GLN 56 N -2.42 0.00 -3.67 0.00 10.64 -0.73 -4.82 117.38 116.39 1ff7 n GLN 56 Ca 0.05 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.99 1ff7 n GLN 56 Cb 0.58 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 30.00 1ff7 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1ff7 n ASN 57 N 0.00 -2.57 -1.98 2.61 3.02 -1.26 -0.88 115.26 114.20 1ff7 n ASN 57 Ca 0.00 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.49 1ff7 n ASN 57 Cb 0.00 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 1ff7 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ff7 n GLY 58 N -1.59 0.46 3.72 7.41 0.00 -1.26 -4.94 105.19 109.00 1ff7 n GLY 58 Ca -0.23 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1ff7 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ff7 s GLY 59 N -2.37 2.92 -0.32 -0.02 0.00 -0.06 -4.91 107.32 102.55 1ff7 s GLY 59 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 44.72 45.00 1ff7 s GLY 59 CO 0.00 1.45 0.65 -0.56 0.00 0.00 0.00 173.10 174.64 1ff7 s SER 60 N 0.36 6.50 0.24 1.64 0.01 -0.90 -4.69 113.70 116.86 1ff7 s SER 60 Ca 0.46 0.39 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 1ff7 s SER 60 Cb -0.22 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 1ff7 s SER 60 CO 0.27 -0.53 0.58 0.00 0.41 0.00 0.00 173.24 173.98 1ff7 s LYS 62 N -2.83 0.21 -0.05 0.00 2.47 -0.16 -4.95 119.74 114.44 1ff7 s LYS 62 Ca 0.48 0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 55.37 1ff7 s LYS 62 Cb -0.11 0.02 -0.05 0.00 -1.46 0.00 0.00 37.83 36.24 1ff7 s LYS 62 CO 0.20 -0.25 1.42 0.16 0.16 0.00 0.00 175.35 177.05 1ff7 s ASP 63 N 2.16 6.84 0.00 1.43 -4.77 -1.26 -1.84 116.67 119.23 1ff7 s ASP 63 Ca -0.02 2.04 0.00 0.00 -3.30 0.00 0.00 52.55 51.27 1ff7 s ASP 63 Cb -0.11 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1ff7 s ASP 63 CO -0.10 -0.77 0.00 0.00 0.70 0.00 0.00 175.17 175.00 1ff7 n GLN 64 N 6.02 1.88 -1.98 2.11 1.13 -1.18 -4.94 117.38 120.43 1ff7 n GLN 64 Ca 0.14 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 1ff7 n GLN 64 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.76 1ff7 n GLN 64 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1ff7 s LEU 65 N 0.00 4.38 0.00 1.08 1.98 -1.26 -4.40 118.68 120.46 1ff7 s LEU 65 Ca 0.00 2.69 0.00 0.00 -2.89 0.00 0.00 54.13 53.93 1ff7 s LEU 65 Cb 0.00 -3.62 0.00 0.00 0.66 0.00 0.00 46.19 43.23 1ff7 s LEU 65 CO 0.00 -0.74 0.00 0.00 -1.89 0.00 0.00 176.35 173.72 1ff7 n GLN 66 N 2.51 0.00 0.00 1.98 6.02 -1.26 -4.57 117.38 122.06 1ff7 n GLN 66 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1ff7 n GLN 66 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1ff7 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ff7 n SER 67 N 1.97 0.00 -1.50 1.08 3.41 -1.26 -4.72 113.62 112.60 1ff7 n SER 67 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1ff7 n SER 67 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ff7 n TYR 68 N 0.00 -0.01 -3.75 7.33 4.11 -1.26 -3.07 117.16 120.51 1ff7 n TYR 68 Ca 0.00 -0.17 -0.13 0.00 -0.00 0.00 0.00 57.90 57.60 1ff7 n TYR 68 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 1ff7 n TYR 68 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1ff7 s ILE 69 N -1.74 0.00 -0.11 -3.48 2.07 -0.76 -4.82 121.20 112.35 1ff7 s ILE 69 Ca 0.02 -0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1ff7 s ILE 69 Cb 0.00 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1ff7 s ILE 69 CO 0.01 -0.02 -0.23 0.00 -1.91 0.00 0.00 174.94 172.79 1ff7 s PHE 71 N 0.46 3.23 0.49 0.00 0.08 0.48 -4.90 117.98 117.82 1ff7 s PHE 71 Ca -0.16 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.50 1ff7 s PHE 71 Cb -0.17 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1ff7 s PHE 71 CO 0.06 -0.46 0.05 0.00 -0.10 0.00 0.00 175.22 174.77 1ff7 s LEU 73 N -3.80 3.20 0.04 0.00 1.43 -1.26 -4.95 118.68 113.34 1ff7 s LEU 73 Ca 0.09 0.86 0.13 0.00 -1.03 0.00 0.00 54.13 54.19 1ff7 s LEU 73 Cb 0.01 -3.70 0.58 0.00 0.03 0.00 0.00 46.19 43.11 1ff7 s LEU 73 CO 0.06 -1.07 1.43 -0.81 0.23 0.00 0.00 176.35 176.19 1ff7 n PRO 74 N -2.65 0.03 0.07 1.29 -0.04 -1.26 -2.10 135.00 130.34 1ff7 n PRO 74 Ca 0.05 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1ff7 n PRO 74 Cb 0.57 -1.56 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1ff7 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ff7 h ALA 75 N 2.38 0.53 -2.21 0.55 0.00 -1.92 -3.47 119.26 115.11 1ff7 h ALA 75 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1ff7 h ALA 75 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ff7 h ALA 75 CO 0.00 0.00 -0.34 -0.06 0.00 0.00 0.00 179.25 178.85 1ff7 s PHE 76 N -3.23 3.47 0.37 0.00 0.40 -0.89 -0.97 117.98 117.12 1ff7 s PHE 76 Ca 0.04 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1ff7 s PHE 76 Cb 0.12 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1ff7 s PHE 76 CO 0.75 0.32 0.54 -2.00 0.70 0.00 0.00 175.22 175.53 1ff7 s GLU 77 N -4.10 2.04 0.00 0.44 2.56 0.28 -4.73 118.70 115.20 1ff7 s GLU 77 Ca 0.36 -1.77 0.00 0.00 0.00 0.00 0.00 54.97 53.57 1ff7 s GLU 77 Cb -0.09 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.52 1ff7 s GLU 77 CO 0.32 -0.87 0.00 0.41 -0.56 0.00 0.00 175.26 174.56 1ff7 n GLY 78 N -0.59 2.60 0.34 -1.50 0.00 -1.26 -1.03 105.19 103.74 1ff7 n GLY 78 Ca -0.01 -1.78 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 1ff7 n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ff7 h ARG 79 N 0.00 0.96 -0.45 1.61 2.43 -2.00 -2.57 114.38 114.36 1ff7 h ARG 79 Ca 0.00 -0.08 -0.27 0.00 -0.81 0.00 0.00 59.98 58.82 1ff7 h ARG 79 Cb 0.00 -0.20 -0.17 0.00 -0.42 0.00 0.00 29.97 29.18 1ff7 h ARG 79 CO 0.00 0.67 -0.14 0.09 -1.51 0.00 0.00 179.97 179.09 1ff7 n ASN 80 N -4.39 3.19 -3.89 -3.80 5.03 -1.26 -4.93 115.26 105.20 1ff7 n ASN 80 Ca 0.07 -3.80 -0.29 0.00 0.87 0.00 0.00 54.58 51.44 1ff7 n ASN 80 Cb 0.07 -0.62 0.02 0.00 -1.02 0.00 0.00 39.78 38.23 1ff7 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ff7 n GLU 82 N -4.60 2.80 -3.56 0.00 0.28 -1.09 -4.05 120.64 110.41 1ff7 n GLU 82 Ca -0.02 -3.04 -0.29 0.00 -0.16 0.00 0.00 57.16 53.65 1ff7 n GLU 82 Cb 0.55 -1.98 -0.15 0.00 1.43 0.00 0.00 31.44 31.29 1ff7 n GLU 82 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ff7 s THR 83 N -3.04 -0.03 -0.97 3.84 2.01 -0.20 -4.97 115.64 112.28 1ff7 s THR 83 Ca 0.48 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.55 1ff7 s THR 83 Cb 0.40 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1ff7 s THR 83 CO 0.08 -0.66 1.63 -2.28 -0.69 0.00 0.00 174.62 172.70 1ff7 s HIS 84 N 2.09 2.26 -1.15 4.92 2.46 -1.26 0.10 115.29 124.70 1ff7 s HIS 84 Ca 0.08 -0.28 -0.20 0.00 0.47 0.00 0.00 55.06 55.13 1ff7 s HIS 84 Cb -0.16 -4.46 0.07 0.00 -0.13 0.00 0.00 32.58 27.90 1ff7 s HIS 84 CO -0.32 -1.88 1.55 0.15 -2.47 0.00 0.00 174.74 171.77 1ff7 s LYS 85 N 5.74 3.80 -0.99 2.88 -0.14 -0.14 -4.90 119.74 125.99 1ff7 s LYS 85 Ca 0.55 -1.65 -0.21 0.00 -1.36 0.00 0.00 55.97 53.29 1ff7 s LYS 85 Cb -0.03 -5.39 -0.10 0.00 -1.68 0.00 0.00 37.83 30.63 1ff7 s LYS 85 CO -0.06 -2.17 1.95 -0.40 -0.76 0.00 0.00 175.35 173.91 1ff7 n ASP 86 N 8.29 3.00 -4.61 2.83 5.75 -1.25 -4.53 116.55 126.02 1ff7 n ASP 86 Ca 0.40 -2.72 -0.30 0.00 -0.01 0.00 0.00 54.79 52.15 1ff7 n ASP 86 Cb 0.48 -1.37 0.19 0.00 -1.03 0.00 0.00 41.12 39.39 1ff7 n ASP 86 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ff7 s ASP 87 N 5.04 2.27 0.00 -1.12 1.11 -1.26 -4.58 116.67 118.13 1ff7 s ASP 87 Ca 0.58 1.93 0.00 0.00 0.18 0.00 0.00 52.55 55.24 1ff7 s ASP 87 Cb 0.10 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1ff7 s ASP 87 CO 0.09 -3.47 0.00 0.61 1.18 0.00 0.00 175.17 173.58 1ff7 n GLY 88 N 0.35 1.76 0.52 0.21 0.00 -1.26 -4.96 105.19 101.81 1ff7 n GLY 88 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ff7 n SER 89 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.35 113.62 112.03 1ff7 n SER 89 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ff7 n SER 89 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88