#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff7 s ASP 46 N 0.00 6.46 0.00 6.43 1.01 -1.26 -3.38 116.67 125.92 1ff7 s ASP 46 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1ff7 s ASP 46 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1ff7 s ASP 46 CO 0.00 -1.09 0.00 0.61 0.21 0.00 0.00 175.17 174.90 1ff7 n GLY 47 N 4.98 -0.80 3.20 0.21 0.00 -1.26 -4.96 105.19 106.57 1ff7 n GLY 47 Ca 0.05 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1ff7 n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ff7 s ASP 48 N -4.00 3.69 -0.24 1.61 -4.77 -1.26 -4.63 116.67 107.07 1ff7 s ASP 48 Ca 0.00 -0.57 0.11 0.00 -3.30 0.00 0.00 52.55 48.79 1ff7 s ASP 48 Cb 0.00 -1.60 0.46 0.00 -1.09 0.00 0.00 42.92 40.69 1ff7 s ASP 48 CO 0.00 -0.02 1.35 0.00 0.70 0.00 0.00 175.17 177.20 1ff7 n GLN 49 N 4.69 1.78 -1.82 2.11 3.00 -1.26 -4.60 117.38 121.28 1ff7 n GLN 49 Ca -0.19 -3.16 0.03 0.00 -0.01 0.00 0.00 57.00 53.67 1ff7 n GLN 49 Cb 0.50 -1.72 0.03 0.00 0.00 0.00 0.00 30.24 29.05 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ff7 n ALA 51 N 0.22 3.38 -2.31 0.00 0.00 -1.26 -3.96 120.51 116.57 1ff7 n ALA 51 Ca 0.06 -1.13 0.03 0.00 0.00 0.00 0.00 53.44 52.41 1ff7 n ALA 51 Cb 1.06 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 19.44 1ff7 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ff7 n SER 52 N 0.26 0.76 -3.47 0.00 3.41 -1.26 -5.03 113.62 108.29 1ff7 n SER 52 Ca 0.17 -2.08 -0.19 0.00 -0.26 0.00 0.00 58.87 56.52 1ff7 n SER 52 Cb 0.82 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ff7 n SER 53 N 0.28 -6.13 0.10 4.04 7.64 -1.25 -4.89 113.62 113.41 1ff7 n SER 53 Ca 0.05 -0.69 -0.05 0.00 1.01 0.00 0.00 58.87 59.20 1ff7 n SER 53 Cb 1.00 -3.79 0.10 0.00 -1.01 0.00 0.00 64.21 60.52 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ff7 h PRO 54 N -0.75 0.15 -6.20 1.43 0.13 -1.91 -3.44 132.00 121.39 1ff7 h PRO 54 Ca -0.45 -0.12 -0.47 0.00 -0.87 0.00 0.00 66.00 64.10 1ff7 h PRO 54 Cb 1.25 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1ff7 h PRO 54 CO 0.40 0.76 -0.44 0.00 -0.23 0.00 0.00 178.00 178.49 1ff7 n GLN 56 N -1.38 0.77 -3.76 0.00 3.00 -0.72 -4.77 117.38 110.52 1ff7 n GLN 56 Ca -0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.67 1ff7 n GLN 56 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.84 1ff7 n GLN 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ff7 n ASN 57 N -1.14 -2.21 -2.24 1.08 3.02 -1.24 -0.85 115.26 111.69 1ff7 n ASN 57 Ca 0.00 -0.81 -0.20 0.00 -0.03 0.00 0.00 54.58 53.54 1ff7 n ASN 57 Cb 0.00 -4.01 -0.03 0.00 -0.61 0.00 0.00 39.78 35.14 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 -1.62 -0.01 3.73 7.41 0.00 -1.26 -4.91 105.19 108.53 1ff7 n GLY 58 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.18 2.18 -0.60 -0.02 0.00 -0.03 -4.94 107.32 101.73 1ff7 s GLY 59 Ca 0.00 1.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.74 1ff7 s GLY 59 CO 0.00 2.29 0.86 -0.56 0.00 0.00 0.00 173.10 175.70 1ff7 s SER 60 N 0.61 6.22 0.21 1.64 0.01 -0.89 -4.82 113.70 116.67 1ff7 s SER 60 Ca 0.61 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1ff7 s SER 60 Cb -0.40 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 1ff7 s SER 60 CO 0.38 -1.26 0.58 0.00 0.41 0.00 0.00 173.24 173.35 1ff7 s LYS 62 N -2.46 0.11 -0.13 0.00 2.20 0.16 -4.96 119.74 114.66 1ff7 s LYS 62 Ca 0.44 0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 1ff7 s LYS 62 Cb -0.13 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 35.95 1ff7 s LYS 62 CO 0.20 -0.05 1.42 0.16 -0.36 0.00 0.00 175.35 176.72 1ff7 s ASP 63 N 0.44 6.81 0.41 1.43 -4.77 -1.26 -1.80 116.67 117.94 1ff7 s ASP 63 Ca -0.04 1.88 0.02 0.00 -3.30 0.00 0.00 52.55 51.11 1ff7 s ASP 63 Cb -0.06 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.22 1ff7 s ASP 63 CO -0.01 -0.85 0.09 0.00 0.70 0.00 0.00 175.17 175.10 1ff7 n GLN 64 N 6.86 0.70 -1.83 2.11 1.13 -1.16 -4.96 117.38 120.23 1ff7 n GLN 64 Ca 0.15 -3.25 -0.37 0.00 -1.94 0.00 0.00 57.00 51.59 1ff7 n GLN 64 Cb 0.44 1.44 0.05 0.00 0.11 0.00 0.00 30.24 32.28 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 3.68 0.00 1.08 2.96 -1.26 -4.24 118.68 120.90 1ff7 s LEU 65 Ca 0.12 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1ff7 s LEU 65 Cb 0.01 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.18 1ff7 s LEU 65 CO 0.09 -1.78 0.00 0.00 -1.32 0.00 0.00 176.35 173.34 1ff7 n GLN 66 N -1.57 0.00 0.00 1.98 6.02 -1.22 -4.56 117.38 118.03 1ff7 n GLN 66 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1ff7 n GLN 66 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 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 1.93 0.32 -1.96 1.08 7.64 -1.26 -4.57 113.62 116.81 1ff7 n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 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 0.00 -3.77 1.43 0.18 -1.26 -3.01 117.16 110.72 1ff7 n TYR 68 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1ff7 n TYR 68 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 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 -1.01 -0.01 -0.20 -3.48 2.07 -0.74 -4.84 121.20 112.99 1ff7 s ILE 69 Ca 0.00 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1ff7 s ILE 69 Cb 0.00 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.24 1ff7 s ILE 69 CO 0.00 0.01 -0.16 0.00 -1.91 0.00 0.00 174.94 172.88 1ff7 s PHE 71 N 1.30 3.09 0.04 0.00 0.08 0.20 -4.83 117.98 117.86 1ff7 s PHE 71 Ca 0.04 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1ff7 s PHE 71 Cb -0.14 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1ff7 s PHE 71 CO -0.10 -0.90 0.02 0.00 -0.10 0.00 0.00 175.22 174.14 1ff7 s LEU 73 N 0.00 4.02 0.31 0.00 1.43 -1.26 -4.98 118.68 118.20 1ff7 s LEU 73 Ca 0.01 0.03 0.24 0.00 -1.03 0.00 0.00 54.13 53.38 1ff7 s LEU 73 Cb -0.00 -2.91 1.12 0.00 0.03 0.00 0.00 46.19 44.43 1ff7 s LEU 73 CO 0.01 -0.36 1.74 1.55 0.23 0.00 0.00 176.35 179.52 1ff7 h PRO 74 N 0.87 0.00 -0.60 1.29 0.13 -2.04 -2.17 132.00 129.48 1ff7 h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1ff7 n ALA 75 N -1.81 2.88 -2.66 -0.56 0.00 -1.26 -4.86 120.51 112.24 1ff7 n ALA 75 Ca 0.01 -0.90 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 1ff7 n ALA 75 Cb 0.17 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.73 1.03 0.00 0.00 0.40 -0.82 -0.78 117.98 116.08 1ff7 s PHE 76 Ca 0.29 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1ff7 s PHE 76 Cb 0.19 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 43.08 1ff7 s PHE 76 CO 0.13 -0.00 0.00 -0.85 0.70 0.00 0.00 175.22 175.20 1ff7 n GLU 77 N 2.41 0.36 0.00 0.44 0.28 0.19 -4.78 120.64 119.53 1ff7 n GLU 77 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1ff7 n GLU 77 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 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 0.77 2.72 0.27 -1.84 0.00 -1.26 -1.41 105.19 104.44 1ff7 n GLY 78 Ca 0.00 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 -0.84 1.61 9.65 -1.98 -3.10 114.38 119.71 1ff7 h ARG 79 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 1ff7 h ARG 79 Cb 0.00 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.18 1ff7 h ARG 79 CO 0.00 0.00 -1.14 0.09 2.80 0.00 0.00 179.97 181.73 1ff7 n ASN 80 N -4.28 1.78 -2.18 -3.80 4.13 -1.26 -4.95 115.26 104.71 1ff7 n ASN 80 Ca -0.03 -2.59 -0.13 0.00 1.68 0.00 0.00 54.58 53.51 1ff7 n ASN 80 Cb 0.09 -0.50 -0.02 0.00 -1.54 0.00 0.00 39.78 37.81 1ff7 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ff7 n GLU 82 N -2.59 3.14 -3.74 0.00 0.28 -1.17 -3.66 120.64 112.90 1ff7 n GLU 82 Ca -0.15 -1.96 -0.16 0.00 -0.16 0.00 0.00 57.16 54.73 1ff7 n GLU 82 Cb 0.57 -1.82 -0.16 0.00 1.43 0.00 0.00 31.44 31.46 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 -1.92 -0.08 -0.07 3.84 2.01 -0.50 -4.97 115.64 113.94 1ff7 s THR 83 Ca 0.34 0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 1ff7 s THR 83 Cb 0.24 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.59 1ff7 s THR 83 CO 0.14 0.11 0.78 -2.28 -0.69 0.00 0.00 174.62 172.67 1ff7 s HIS 84 N 1.38 3.56 -1.42 4.92 2.46 -1.26 0.56 115.29 125.49 1ff7 s HIS 84 Ca -0.06 1.33 -0.10 0.00 0.47 0.00 0.00 55.06 56.71 1ff7 s HIS 84 Cb -0.13 -2.90 -0.07 0.00 -0.13 0.00 0.00 32.58 29.35 1ff7 s HIS 84 CO -0.04 0.00 2.65 1.63 -2.47 0.00 0.00 174.74 176.51 1ff7 n LYS 85 N 4.09 3.16 0.02 2.88 5.02 0.04 -4.44 118.16 128.93 1ff7 n LYS 85 Ca 0.01 -2.08 -0.06 0.00 -2.02 0.00 0.00 58.31 54.16 1ff7 n LYS 85 Cb 0.51 -2.79 -0.11 0.00 -0.02 0.00 0.00 35.03 32.61 1ff7 n LYS 85 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1ff7 h ASP 86 N 5.53 0.00 -5.78 4.39 3.58 -1.92 -3.46 116.42 118.76 1ff7 h ASP 86 Ca 0.74 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 58.04 1ff7 h ASP 86 Cb 0.32 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.37 1ff7 h ASP 86 CO 1.74 0.90 -0.71 0.47 -2.88 0.00 0.00 179.24 178.76 1ff7 n ASP 87 N -3.13 -6.99 0.00 2.28 9.92 -1.26 -5.02 116.55 112.34 1ff7 n ASP 87 Ca -0.09 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1ff7 n ASP 87 Cb 0.96 -4.00 0.00 0.00 -0.64 0.00 0.00 41.12 37.44 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ff7 n GLY 88 N -0.50 0.56 0.15 0.44 0.00 -1.26 -4.97 105.19 99.60 1ff7 n GLY 88 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1ff7 n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ff7 h SER 89 N 0.00 0.66 -0.03 1.61 0.02 -2.06 -3.57 113.55 110.19 1ff7 h SER 89 Ca 0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1ff7 h SER 89 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1ff7 h SER 89 CO 0.00 1.78 0.00 0.00 -1.14 0.00 0.00 176.83 177.47