#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 -1.57 0.00 6.43 2.03 -1.26 -5.01 116.55 117.17 1ff7 n ASP 46 Ca 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 54.79 53.17 1ff7 n ASP 46 Cb 0.00 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ff7 n GLY 47 N -0.65 1.95 3.29 0.27 0.00 -1.26 -4.84 105.19 103.95 1ff7 n GLY 47 Ca -0.11 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 0.00 6.93 -0.11 1.61 1.01 -1.26 -4.77 116.67 120.08 1ff7 s ASP 48 Ca 0.00 -3.40 -0.07 0.00 0.71 0.00 0.00 52.55 49.78 1ff7 s ASP 48 Cb 0.00 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 1ff7 s ASP 48 CO 0.00 -0.33 -0.17 0.00 0.21 0.00 0.00 175.17 174.87 1ff7 n GLN 49 N 2.94 0.28 -1.61 8.23 3.00 -1.26 -4.76 117.38 124.20 1ff7 n GLN 49 Ca 0.21 0.12 -0.17 0.00 -0.01 0.00 0.00 57.00 57.15 1ff7 n GLN 49 Cb 0.40 -0.97 0.07 0.00 0.00 0.00 0.00 30.24 29.75 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ff7 h ALA 51 N 1.85 1.00 -2.20 0.00 0.00 -1.89 -3.42 119.26 114.60 1ff7 h ALA 51 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ff7 h ALA 51 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ff7 h ALA 51 CO 0.62 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.74 1ff7 n SER 52 N -2.64 0.00 0.00 0.00 3.41 -1.26 -5.07 113.62 108.06 1ff7 n SER 52 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ff7 n SER 52 Cb 0.46 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1ff7 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ff7 n SER 53 N -1.56 0.00 0.19 4.04 2.88 -1.26 -5.02 113.62 112.89 1ff7 n SER 53 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ff7 n SER 53 Cb 0.00 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.00 0.00 -7.20 -1.46 0.13 -1.89 -3.45 132.00 118.13 1ff7 h PRO 54 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1ff7 h PRO 54 Cb 0.00 0.00 0.18 0.00 0.13 0.00 0.00 31.00 31.31 1ff7 h PRO 54 CO 0.00 0.36 0.34 0.00 -0.23 0.00 0.00 178.00 178.47 1ff7 s GLN 56 N -4.12 1.93 -1.52 0.00 2.00 0.21 -4.66 119.66 113.50 1ff7 s GLN 56 Ca 0.73 -2.14 -0.13 0.00 -2.00 0.00 0.00 55.36 51.83 1ff7 s GLN 56 Cb -0.29 -1.26 0.08 0.00 0.80 0.00 0.00 33.01 32.33 1ff7 s GLN 56 CO 0.50 -0.22 0.94 0.09 -0.50 0.00 0.00 175.29 176.10 1ff7 n ASN 57 N -1.02 -4.35 -2.16 6.67 3.02 -1.22 -0.46 115.26 115.74 1ff7 n ASN 57 Ca -0.08 -0.80 -0.19 0.00 -0.03 0.00 0.00 54.58 53.49 1ff7 n ASN 57 Cb 0.67 -3.85 -0.01 0.00 -0.61 0.00 0.00 39.78 35.98 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 -1.68 -0.38 3.76 7.41 0.00 -1.26 -4.95 105.19 108.09 1ff7 n GLY 58 Ca 0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.15 2.32 -0.06 -0.02 0.00 0.39 -4.99 107.32 102.82 1ff7 s GLY 59 Ca 0.00 0.69 -0.19 0.00 0.00 0.00 0.00 44.72 45.23 1ff7 s GLY 59 CO 0.00 1.06 0.52 -0.56 0.00 0.00 0.00 173.10 174.12 1ff7 s SER 60 N -2.25 6.81 0.11 1.64 0.01 0.21 -4.74 113.70 115.49 1ff7 s SER 60 Ca 0.70 0.97 -0.17 0.00 1.31 0.00 0.00 55.95 58.76 1ff7 s SER 60 Cb -0.23 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 1ff7 s SER 60 CO 0.39 0.08 0.56 0.00 0.41 0.00 0.00 173.24 174.68 1ff7 s LYS 62 N -1.56 0.24 0.44 0.00 2.20 -0.44 -4.89 119.74 115.73 1ff7 s LYS 62 Ca 0.34 0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 56.31 1ff7 s LYS 62 Cb -0.17 -0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 35.97 1ff7 s LYS 62 CO 0.19 -0.17 1.11 0.34 -0.36 0.00 0.00 175.35 176.46 1ff7 s ASP 63 N 1.36 6.43 0.00 1.43 -1.08 -1.26 -1.90 116.67 121.64 1ff7 s ASP 63 Ca -0.09 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.10 1ff7 s ASP 63 Cb -0.10 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1ff7 s ASP 63 CO -0.09 -0.73 0.00 0.00 0.52 0.00 0.00 175.17 174.87 1ff7 n GLN 64 N -0.35 0.00 -1.71 4.34 1.13 -1.23 -4.80 117.38 114.76 1ff7 n GLN 64 Ca 0.06 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 1ff7 n GLN 64 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.81 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 4.00 0.00 1.08 1.98 -1.26 -4.06 118.68 120.42 1ff7 s LEU 65 Ca 0.00 2.25 0.00 0.00 -2.89 0.00 0.00 54.13 53.49 1ff7 s LEU 65 Cb 0.00 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.33 1ff7 s LEU 65 CO 0.00 -1.41 0.00 0.00 -1.89 0.00 0.00 176.35 173.05 1ff7 n GLN 66 N 8.00 0.00 0.00 1.98 6.02 -1.26 -4.62 117.38 127.50 1ff7 n GLN 66 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1ff7 n GLN 66 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 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 1.88 0.00 -1.89 1.08 7.64 -1.26 -4.77 113.62 116.30 1ff7 n SER 67 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1ff7 n SER 67 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.66 -0.39 -3.75 1.43 4.11 -1.26 -3.52 117.16 113.12 1ff7 n TYR 68 Ca 0.00 -1.11 -0.13 0.00 -0.00 0.00 0.00 57.90 56.66 1ff7 n TYR 68 Cb 0.00 0.13 -0.10 0.00 -0.00 0.00 0.00 39.34 39.37 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 -2.55 0.01 -0.26 -3.48 2.07 -0.80 -4.85 121.20 111.33 1ff7 s ILE 69 Ca 0.16 -0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1ff7 s ILE 69 Cb 0.01 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1ff7 s ILE 69 CO 0.11 -0.05 0.02 0.00 -1.91 0.00 0.00 174.94 173.12 1ff7 s PHE 71 N 1.49 3.31 0.00 0.00 0.40 0.28 -4.79 117.98 118.67 1ff7 s PHE 71 Ca 0.04 0.83 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 1ff7 s PHE 71 Cb -0.16 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1ff7 s PHE 71 CO -0.00 -0.27 0.00 0.00 0.70 0.00 0.00 175.22 175.65 1ff7 s LEU 73 N 0.00 3.07 0.42 0.00 1.02 -1.26 -4.94 118.68 116.99 1ff7 s LEU 73 Ca 0.00 1.29 0.30 0.00 0.02 0.00 0.00 54.13 55.73 1ff7 s LEU 73 Cb 0.00 -4.21 1.36 0.00 0.02 0.00 0.00 46.19 43.35 1ff7 s LEU 73 CO 0.00 -1.10 1.89 1.55 0.02 0.00 0.00 176.35 178.70 1ff7 h PRO 74 N -0.49 0.00 -0.67 1.29 0.13 -2.01 -2.16 132.00 128.10 1ff7 h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ff7 h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ff7 h PRO 74 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1ff7 n ALA 75 N -1.92 3.14 -2.51 -0.56 0.00 -1.26 -4.89 120.51 112.51 1ff7 n ALA 75 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.10 1ff7 n ALA 75 Cb 0.20 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.93 1.80 0.35 0.00 0.40 -0.81 0.99 117.98 118.77 1ff7 s PHE 76 Ca 0.34 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1ff7 s PHE 76 Cb 0.24 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.82 1ff7 s PHE 76 CO 0.13 0.24 0.53 -2.00 0.70 0.00 0.00 175.22 174.82 1ff7 s GLU 77 N -2.19 1.96 0.00 0.44 -6.30 0.29 -4.87 118.70 108.04 1ff7 s GLU 77 Ca 0.09 -1.70 0.00 0.00 -2.50 0.00 0.00 54.97 50.86 1ff7 s GLU 77 Cb -0.09 0.47 0.00 0.00 0.00 0.00 0.00 34.13 34.52 1ff7 s GLU 77 CO 0.05 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1ff7 n GLY 78 N -0.56 3.07 0.27 -1.50 0.00 -1.26 -0.93 105.19 104.28 1ff7 n GLY 78 Ca -0.01 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.22 1ff7 n GLY 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ff7 h ARG 79 N 0.00 0.00 -0.46 1.61 0.11 -1.99 -2.96 114.38 110.68 1ff7 h ARG 79 Ca 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1ff7 h ARG 79 Cb 0.00 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.70 1ff7 h ARG 79 CO 0.00 0.04 -0.95 0.09 0.10 0.00 0.00 179.97 179.25 1ff7 n ASN 80 N -4.21 2.73 -3.86 0.08 5.03 -1.26 -4.91 115.26 108.86 1ff7 n ASN 80 Ca -0.03 -2.80 -0.27 0.00 0.87 0.00 0.00 54.58 52.35 1ff7 n ASN 80 Cb 0.13 -0.42 0.03 0.00 -1.02 0.00 0.00 39.78 38.50 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 -4.55 2.51 -3.52 0.00 0.28 -1.11 -3.40 120.64 110.85 1ff7 n GLU 82 Ca -0.08 -2.97 -0.19 0.00 -0.16 0.00 0.00 57.16 53.76 1ff7 n GLU 82 Cb 0.58 -1.85 -0.14 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 -3.00 -0.29 1.01 3.84 2.01 -0.10 -4.98 115.64 114.14 1ff7 s THR 83 Ca 0.44 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 1ff7 s THR 83 Cb 0.37 -0.65 0.20 0.00 0.01 0.00 0.00 72.50 72.43 1ff7 s THR 83 CO 0.06 -0.20 1.08 -1.00 -0.69 0.00 0.00 174.62 173.87 1ff7 s HIS 84 N 2.30 2.00 -0.08 4.92 3.76 -1.26 0.10 115.29 127.03 1ff7 s HIS 84 Ca 0.06 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 56.04 1ff7 s HIS 84 Cb -0.16 -3.23 0.01 0.00 1.11 0.00 0.00 32.58 30.32 1ff7 s HIS 84 CO -0.11 -3.00 -0.14 0.15 -0.85 0.00 0.00 174.74 170.79 1ff7 s LYS 85 N -4.88 1.93 -0.37 1.40 -0.14 0.28 -4.61 119.74 113.34 1ff7 s LYS 85 Ca 0.66 -0.48 0.13 0.00 -1.36 0.00 0.00 55.97 54.92 1ff7 s LYS 85 Cb -0.19 -1.59 0.43 0.00 -1.68 0.00 0.00 37.83 34.79 1ff7 s LYS 85 CO 0.59 0.02 0.95 -0.40 -0.76 0.00 0.00 175.35 175.75 1ff7 n ASP 86 N 3.89 2.28 -2.69 2.83 5.75 -1.26 -4.84 116.55 122.51 1ff7 n ASP 86 Ca -0.21 -3.04 -0.07 0.00 -0.01 0.00 0.00 54.79 51.45 1ff7 n ASP 86 Cb 0.52 -0.53 0.08 0.00 -1.03 0.00 0.00 41.12 40.16 1ff7 n ASP 86 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ff7 n ASP 87 N -0.12 -0.31 0.00 -1.12 8.00 -1.26 -5.12 116.55 116.63 1ff7 n ASP 87 Ca 0.19 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 53.16 1ff7 n ASP 87 Cb 0.74 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ff7 n GLY 88 N -0.43 4.39 2.45 0.44 0.00 -1.26 -5.15 105.19 105.63 1ff7 n GLY 88 Ca 0.02 -1.27 0.10 0.00 0.00 0.00 0.00 46.02 44.86 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ff7 n SER 89 N 0.00 -5.16 0.00 1.61 2.88 -1.26 -4.99 113.62 106.70 1ff7 n SER 89 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1ff7 n SER 89 Cb 0.00 -2.28 0.00 0.00 -0.75 0.00 0.00 64.21 61.18 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81