#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 -3.44 4.04 8.00 -1.26 -4.59 116.55 119.30 1ff7 n ASP 46 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1ff7 n ASP 46 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1ff7 n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ff7 s GLY 47 N 0.00 -0.59 -0.33 0.44 0.00 -1.26 -5.03 107.32 100.54 1ff7 s GLY 47 Ca 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 44.72 45.31 1ff7 s GLY 47 CO 0.00 0.26 0.09 0.51 0.00 0.00 0.00 173.10 173.95 1ff7 s ASP 48 N -2.58 5.24 0.00 1.64 -4.77 -1.26 -4.89 116.67 110.05 1ff7 s ASP 48 Ca 0.01 -1.19 0.00 0.00 -3.30 0.00 0.00 52.55 48.07 1ff7 s ASP 48 Cb -0.01 -1.84 0.00 0.00 -1.09 0.00 0.00 42.92 39.98 1ff7 s ASP 48 CO -0.11 -0.32 0.00 0.00 0.70 0.00 0.00 175.17 175.44 1ff7 n GLN 49 N 4.77 0.00 0.29 2.11 1.13 -1.26 -4.72 117.38 119.71 1ff7 n GLN 49 Ca -0.12 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.12 1ff7 n GLN 49 Cb 0.44 -0.78 0.84 0.00 0.11 0.00 0.00 30.24 30.86 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ff7 n ALA 51 N -2.11 6.40 -2.03 0.00 0.00 -1.26 -3.95 120.51 117.56 1ff7 n ALA 51 Ca -0.01 -2.81 -0.00 0.00 0.00 0.00 0.00 53.44 50.62 1ff7 n ALA 51 Cb 0.24 -2.15 -0.00 0.00 0.00 0.00 0.00 19.45 17.53 1ff7 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ff7 n SER 52 N 1.12 -0.00 -3.90 0.00 7.64 -1.20 -5.02 113.62 112.25 1ff7 n SER 52 Ca 0.47 -1.56 -0.26 0.00 1.01 0.00 0.00 58.87 58.54 1ff7 n SER 52 Cb 0.61 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ff7 n SER 53 N 0.03 -0.98 -0.03 6.43 3.41 -1.25 -4.89 113.62 116.33 1ff7 n SER 53 Ca -0.02 -0.99 -0.14 0.00 -0.26 0.00 0.00 58.87 57.46 1ff7 n SER 53 Cb 0.64 -3.17 -0.11 0.00 -0.26 0.00 0.00 64.21 61.31 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ff7 h PRO 54 N -1.86 0.09 -7.26 4.33 0.13 -1.82 -3.45 132.00 122.16 1ff7 h PRO 54 Ca -0.63 -0.08 -0.49 0.00 -0.87 0.00 0.00 66.00 63.92 1ff7 h PRO 54 Cb 1.37 0.02 0.06 0.00 0.13 0.00 0.00 31.00 32.58 1ff7 h PRO 54 CO 0.60 0.80 0.30 0.00 -0.23 0.00 0.00 178.00 179.47 1ff7 n GLN 56 N -2.70 0.31 -3.80 0.00 6.02 -0.64 -4.80 117.38 111.77 1ff7 n GLN 56 Ca 0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.79 1ff7 n GLN 56 Cb 0.56 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.85 1ff7 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ff7 n ASN 57 N -0.49 -2.43 -2.23 1.08 3.02 -1.26 -0.75 115.26 112.20 1ff7 n ASN 57 Ca 0.00 -0.82 -0.20 0.00 -0.03 0.00 0.00 54.58 53.53 1ff7 n ASN 57 Cb 0.00 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.22 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 -1.65 0.02 3.75 7.41 0.00 -1.26 -4.92 105.19 108.54 1ff7 n GLY 58 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.19 2.67 -0.57 -0.02 0.00 0.07 -4.95 107.32 102.33 1ff7 s GLY 59 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 44.72 45.60 1ff7 s GLY 59 CO 0.00 1.95 0.84 -0.56 0.00 0.00 0.00 173.10 175.32 1ff7 s SER 60 N -0.01 6.25 0.27 1.64 0.01 -0.89 -4.82 113.70 116.15 1ff7 s SER 60 Ca 0.53 -0.77 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 1ff7 s SER 60 Cb -0.36 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 1ff7 s SER 60 CO 0.42 -1.18 0.61 0.00 0.41 0.00 0.00 173.24 173.49 1ff7 s LYS 62 N -2.98 0.02 -0.24 0.00 2.20 0.22 -4.95 119.74 114.00 1ff7 s LYS 62 Ca 0.49 0.06 -0.27 0.00 -0.36 0.00 0.00 55.97 55.88 1ff7 s LYS 62 Cb -0.11 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1ff7 s LYS 62 CO 0.22 -0.03 0.97 0.16 -0.36 0.00 0.00 175.35 176.31 1ff7 s ASP 63 N 0.18 6.99 0.00 1.43 -4.77 -1.26 -1.77 116.67 117.46 1ff7 s ASP 63 Ca -0.01 1.23 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1ff7 s ASP 63 Cb -0.02 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1ff7 s ASP 63 CO -0.01 -0.63 0.00 0.00 0.70 0.00 0.00 175.17 175.23 1ff7 n GLN 64 N 6.25 1.87 -2.11 2.11 6.02 -1.23 -4.98 117.38 125.32 1ff7 n GLN 64 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 1ff7 n GLN 64 Cb 0.47 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.73 1ff7 n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ff7 s LEU 65 N 0.00 3.49 0.00 1.08 1.02 -1.26 -4.54 118.68 118.48 1ff7 s LEU 65 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 54.13 55.85 1ff7 s LEU 65 Cb 0.00 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.69 1ff7 s LEU 65 CO 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 176.35 175.38 1ff7 n GLN 66 N -2.02 0.00 0.00 1.70 6.02 -1.26 -4.56 117.38 117.26 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 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ff7 n SER 67 N 1.89 0.47 -2.10 1.08 7.64 -1.26 -4.70 113.62 116.63 1ff7 n SER 67 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1ff7 n SER 67 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ff7 n TYR 68 N 0.00 0.05 -3.78 1.43 0.18 -1.26 -3.48 117.16 110.29 1ff7 n TYR 68 Ca 0.00 -0.10 -0.13 0.00 1.88 0.00 0.00 57.90 59.55 1ff7 n TYR 68 Cb 0.00 -0.01 -0.11 0.00 -0.38 0.00 0.00 39.34 38.83 1ff7 n TYR 68 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1ff7 s ILE 69 N -1.09 0.00 -0.14 -3.48 2.07 -0.73 -4.87 121.20 112.97 1ff7 s ILE 69 Ca 0.00 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1ff7 s ILE 69 Cb 0.00 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.24 1ff7 s ILE 69 CO 0.00 -0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 172.90 1ff7 s PHE 71 N 1.55 3.15 0.04 0.00 0.08 0.19 -4.85 117.98 118.15 1ff7 s PHE 71 Ca 0.05 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1ff7 s PHE 71 Cb -0.13 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1ff7 s PHE 71 CO -0.10 -0.91 0.03 0.00 -0.10 0.00 0.00 175.22 174.14 1ff7 s LEU 73 N 0.00 3.44 0.41 0.00 1.43 -1.26 -4.96 118.68 117.74 1ff7 s LEU 73 Ca 0.02 0.73 0.29 0.00 -1.03 0.00 0.00 54.13 54.14 1ff7 s LEU 73 Cb -0.00 -3.62 1.34 0.00 0.03 0.00 0.00 46.19 43.94 1ff7 s LEU 73 CO 0.01 -0.83 1.87 1.55 0.23 0.00 0.00 176.35 179.18 1ff7 h PRO 74 N 0.06 0.00 -0.69 1.29 0.13 -2.03 -2.08 132.00 128.68 1ff7 h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ff7 h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ff7 h PRO 74 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1ff7 n ALA 75 N -1.90 3.31 -3.02 -0.56 0.00 -1.26 -4.82 120.51 112.26 1ff7 n ALA 75 Ca 0.00 -1.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.00 1ff7 n ALA 75 Cb 0.18 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 1ff7 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ff7 s PHE 76 N -2.08 0.93 0.00 0.00 0.40 -0.78 0.63 117.98 117.08 1ff7 s PHE 76 Ca 0.37 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1ff7 s PHE 76 Cb 0.27 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 43.14 1ff7 s PHE 76 CO 0.12 -0.10 0.00 -0.85 0.70 0.00 0.00 175.22 175.10 1ff7 n GLU 77 N 3.28 0.47 0.00 0.44 0.28 0.21 -4.73 120.64 120.59 1ff7 n GLU 77 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1ff7 n GLU 77 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1ff7 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ff7 n GLY 78 N 1.03 2.59 0.30 -1.84 0.00 -1.26 -1.44 105.19 104.57 1ff7 n GLY 78 Ca 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.30 1ff7 n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ff7 h ARG 79 N 0.00 0.00 -0.57 1.61 -0.00 -1.99 -2.85 114.38 110.58 1ff7 h ARG 79 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.98 59.12 1ff7 h ARG 79 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 29.56 1ff7 h ARG 79 CO 0.00 0.00 -1.01 0.09 0.00 0.00 0.00 179.97 179.05 1ff7 n ASN 80 N -3.96 2.82 -2.65 7.04 5.03 -1.26 -4.95 115.26 117.32 1ff7 n ASN 80 Ca -0.02 -2.68 -0.14 0.00 0.87 0.00 0.00 54.58 52.61 1ff7 n ASN 80 Cb 0.13 -0.43 -0.00 0.00 -1.02 0.00 0.00 39.78 38.45 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 -3.00 3.74 -3.90 0.00 0.28 -1.12 -4.11 120.64 112.53 1ff7 n GLU 82 Ca -0.11 -2.36 -0.11 0.00 -0.16 0.00 0.00 57.16 54.42 1ff7 n GLU 82 Cb 0.59 -1.99 -0.13 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.18 0.03 -0.25 3.84 2.01 -0.52 -4.99 115.64 113.58 1ff7 s THR 83 Ca 0.41 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 1ff7 s THR 83 Cb 0.30 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.71 1ff7 s THR 83 CO 0.14 -0.10 0.43 -1.00 -0.69 0.00 0.00 174.62 173.41 1ff7 s HIS 84 N -0.30 3.29 0.42 4.92 3.76 -1.26 0.63 115.29 126.75 1ff7 s HIS 84 Ca -0.03 0.55 0.11 0.00 -0.15 0.00 0.00 55.06 55.54 1ff7 s HIS 84 Cb -0.02 -2.61 0.90 0.00 1.11 0.00 0.00 32.58 31.96 1ff7 s HIS 84 CO -0.00 -0.19 1.97 0.87 -0.85 0.00 0.00 174.74 176.54 1ff7 h LYS 85 N 7.89 0.17 -4.84 1.40 1.57 -0.10 -3.34 116.57 119.33 1ff7 h LYS 85 Ca -0.32 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 57.86 1ff7 h LYS 85 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1ff7 h LYS 85 CO 0.69 0.28 2.03 -0.40 -0.57 0.00 0.00 179.45 181.48 1ff7 n ASP 86 N -4.33 3.05 0.06 0.86 5.75 -1.24 -4.60 116.55 116.11 1ff7 n ASP 86 Ca -0.01 -2.73 -0.07 0.00 -0.01 0.00 0.00 54.79 51.98 1ff7 n ASP 86 Cb 0.23 -1.42 -0.11 0.00 -1.03 0.00 0.00 41.12 38.79 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1ff7 h ASP 87 N 8.18 0.00 0.00 -1.12 3.58 -1.95 -3.46 116.42 121.64 1ff7 h ASP 87 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1ff7 h ASP 87 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1ff7 h ASP 87 CO 1.69 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 179.64 1ff7 n GLY 88 N 1.35 3.80 3.00 -0.78 0.00 -1.26 -5.16 105.19 106.13 1ff7 n GLY 88 Ca -0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ff7 s SER 89 N 0.36 0.16 0.00 1.61 1.04 -1.26 -5.20 113.70 110.41 1ff7 s SER 89 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1ff7 s SER 89 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1ff7 s SER 89 CO 0.00 -0.28 0.00 0.00 0.98 0.00 0.00 173.24 173.94