#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 6.79 0.00 4.04 2.15 -1.26 -4.80 116.67 123.59 1ff7 s ASP 46 Ca 0.00 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.93 1ff7 s ASP 46 Cb 0.00 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1ff7 s ASP 46 CO 0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1ff7 n GLY 47 N 3.52 4.60 3.65 2.66 0.00 -1.26 -5.07 105.19 113.29 1ff7 n GLY 47 Ca -0.01 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1ff7 n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ff7 s ASP 48 N 1.00 6.64 -0.05 1.61 2.15 -1.26 -4.91 116.67 121.84 1ff7 s ASP 48 Ca 0.00 0.77 0.07 0.00 0.43 0.00 0.00 52.55 53.82 1ff7 s ASP 48 Cb 0.00 -2.33 -0.09 0.00 -0.30 0.00 0.00 42.92 40.19 1ff7 s ASP 48 CO 0.00 -0.26 0.06 0.00 -0.17 0.00 0.00 175.17 174.80 1ff7 n GLN 49 N 5.08 2.17 -1.08 4.34 6.02 -1.26 -4.57 117.38 128.08 1ff7 n GLN 49 Ca -0.02 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 1ff7 n GLN 49 Cb 0.50 -1.18 0.25 0.00 1.02 0.00 0.00 30.24 30.83 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 1.86 1.79 0.00 0.00 0.00 -1.99 -2.81 119.26 118.10 1ff7 h ALA 51 Ca 0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1ff7 h ALA 51 Cb 2.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.21 1ff7 h ALA 51 CO 0.85 -0.07 -0.45 0.43 0.00 0.00 0.00 179.25 180.02 1ff7 n SER 52 N -4.13 1.16 -3.13 0.00 7.64 -1.26 -5.05 113.62 108.85 1ff7 n SER 52 Ca -0.02 -2.63 -0.21 0.00 1.01 0.00 0.00 58.87 57.03 1ff7 n SER 52 Cb 0.14 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 1ff7 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ff7 n SER 53 N -0.52 -6.89 0.16 6.43 2.88 -1.06 -4.88 113.62 109.73 1ff7 n SER 53 Ca 0.09 0.28 0.01 0.00 -1.33 0.00 0.00 58.87 57.93 1ff7 n SER 53 Cb 0.76 -3.71 0.23 0.00 -0.75 0.00 0.00 64.21 60.74 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 2.14 0.00 -7.19 -1.46 0.13 -1.87 -3.45 132.00 120.31 1ff7 h PRO 54 Ca -0.24 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 1ff7 h PRO 54 Cb 1.13 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.41 1ff7 h PRO 54 CO 0.20 0.52 0.38 0.00 -0.23 0.00 0.00 178.00 178.87 1ff7 s GLN 56 N -4.01 1.89 -1.35 0.00 0.74 0.20 -4.63 119.66 112.50 1ff7 s GLN 56 Ca 0.72 -2.12 -0.01 0.00 0.05 0.00 0.00 55.36 54.00 1ff7 s GLN 56 Cb -0.27 -1.03 0.01 0.00 1.10 0.00 0.00 33.01 32.82 1ff7 s GLN 56 CO 0.45 -0.29 0.66 0.09 -0.55 0.00 0.00 175.29 175.65 1ff7 n ASN 57 N -1.03 -1.28 -2.25 6.67 3.02 -1.24 -0.76 115.26 118.38 1ff7 n ASN 57 Ca -0.07 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.42 1ff7 n ASN 57 Cb 0.66 -3.81 -0.01 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.67 -0.44 3.76 7.41 0.00 -1.26 -4.94 105.19 108.05 1ff7 n GLY 58 Ca -0.27 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.13 3.04 -0.18 -0.02 0.00 0.06 -4.92 107.32 103.18 1ff7 s GLY 59 Ca 0.01 0.90 -0.20 0.00 0.00 0.00 0.00 44.72 45.43 1ff7 s GLY 59 CO 0.01 1.49 0.56 -0.56 0.00 0.00 0.00 173.10 174.60 1ff7 s SER 60 N -0.92 6.66 -0.02 1.64 0.01 -0.87 -4.65 113.70 115.55 1ff7 s SER 60 Ca 0.46 0.79 -0.20 0.00 1.31 0.00 0.00 55.95 58.31 1ff7 s SER 60 Cb -0.31 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1ff7 s SER 60 CO 0.40 -0.18 0.59 0.00 0.41 0.00 0.00 173.24 174.47 1ff7 s LYS 62 N -0.07 1.97 -0.26 0.00 -0.14 -0.28 -4.95 119.74 116.01 1ff7 s LYS 62 Ca 0.31 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 54.08 1ff7 s LYS 62 Cb -0.18 -2.06 -0.02 0.00 -1.68 0.00 0.00 37.83 33.89 1ff7 s LYS 62 CO 0.17 -0.31 1.69 0.16 -0.76 0.00 0.00 175.35 176.30 1ff7 s ASP 63 N 1.53 6.18 0.28 2.83 -4.77 -1.26 -1.64 116.67 119.82 1ff7 s ASP 63 Ca 0.03 1.50 0.00 0.00 -3.30 0.00 0.00 52.55 50.78 1ff7 s ASP 63 Cb -0.14 -2.53 -0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1ff7 s ASP 63 CO -0.09 -1.44 0.01 0.00 0.70 0.00 0.00 175.17 174.35 1ff7 n GLN 64 N 7.98 1.23 -1.79 2.11 1.13 -1.13 -4.98 117.38 121.93 1ff7 n GLN 64 Ca 0.20 -2.08 -0.37 0.00 -1.94 0.00 0.00 57.00 52.81 1ff7 n GLN 64 Cb 0.46 0.63 0.05 0.00 0.11 0.00 0.00 30.24 31.49 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 3.71 0.00 1.08 0.20 -1.26 -4.22 118.68 118.19 1ff7 s LEU 65 Ca 0.02 2.66 0.00 0.00 0.69 0.00 0.00 54.13 57.50 1ff7 s LEU 65 Cb 0.00 -4.46 0.00 0.00 -0.43 0.00 0.00 46.19 41.30 1ff7 s LEU 65 CO 0.01 -1.76 0.00 0.00 -0.29 0.00 0.00 176.35 174.31 1ff7 n GLN 66 N -1.47 0.00 -0.06 1.98 1.13 -1.26 -4.56 117.38 113.14 1ff7 n GLN 66 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ff7 n GLN 66 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.82 1ff7 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ff7 n SER 67 N 1.92 0.50 -1.79 1.08 3.41 -1.26 -4.80 113.62 112.66 1ff7 n SER 67 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 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 -0.03 -0.09 -3.70 7.33 0.18 -1.26 -2.83 117.16 116.76 1ff7 n TYR 68 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 1ff7 n TYR 68 Cb 0.00 0.00 -0.13 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 -0.73 -0.19 -0.42 -3.48 2.07 -0.65 -4.83 121.20 112.98 1ff7 s ILE 69 Ca 0.00 0.19 -0.22 0.00 -1.41 0.00 0.00 60.65 59.21 1ff7 s ILE 69 Cb 0.00 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.17 1ff7 s ILE 69 CO 0.00 0.08 0.71 0.00 -1.91 0.00 0.00 174.94 173.82 1ff7 s PHE 71 N 3.00 2.82 0.00 0.00 0.08 0.25 -4.80 117.98 119.31 1ff7 s PHE 71 Ca 0.27 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1ff7 s PHE 71 Cb -0.13 -4.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.09 1ff7 s PHE 71 CO 0.19 -1.54 0.00 0.00 -0.10 0.00 0.00 175.22 173.77 1ff7 s LEU 73 N 0.00 3.08 0.44 0.00 1.43 -1.26 -4.94 118.68 117.43 1ff7 s LEU 73 Ca 0.00 1.12 0.30 0.00 -1.03 0.00 0.00 54.13 54.52 1ff7 s LEU 73 Cb 0.00 -3.99 1.38 0.00 0.03 0.00 0.00 46.19 43.61 1ff7 s LEU 73 CO 0.00 -1.13 1.91 1.55 0.23 0.00 0.00 176.35 178.91 1ff7 h PRO 74 N -0.44 0.00 -0.54 1.29 0.13 -2.04 -2.21 132.00 128.20 1ff7 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1ff7 n ALA 75 N -1.94 2.74 -2.55 -0.56 0.00 -1.26 -4.87 120.51 112.07 1ff7 n ALA 75 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 53.44 52.45 1ff7 n ALA 75 Cb 0.20 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.65 1.61 0.34 0.00 0.40 -0.83 -0.27 117.98 117.58 1ff7 s PHE 76 Ca 0.26 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1ff7 s PHE 76 Cb 0.16 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.84 1ff7 s PHE 76 CO 0.14 0.19 0.52 -2.00 0.70 0.00 0.00 175.22 174.76 1ff7 s GLU 77 N -2.18 1.92 0.00 0.44 2.56 -0.05 -4.78 118.70 116.61 1ff7 s GLU 77 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 53.37 1ff7 s GLU 77 Cb -0.08 0.47 0.00 0.00 2.00 0.00 0.00 34.13 36.52 1ff7 s GLU 77 CO 0.04 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 174.34 1ff7 n GLY 78 N -0.54 2.83 0.35 -1.50 0.00 -1.26 -0.89 105.19 104.17 1ff7 n GLY 78 Ca -0.01 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 1.12 -0.47 1.61 2.43 -2.00 -2.98 114.38 114.09 1ff7 h ARG 79 Ca 0.00 -0.11 -0.34 0.00 -0.81 0.00 0.00 59.98 58.72 1ff7 h ARG 79 Cb 0.00 -0.23 -0.27 0.00 -0.42 0.00 0.00 29.97 29.05 1ff7 h ARG 79 CO 0.00 0.80 -0.71 0.09 -1.51 0.00 0.00 179.97 178.64 1ff7 n ASN 80 N -4.36 3.69 -3.70 -3.80 5.03 -1.26 -4.87 115.26 105.99 1ff7 n ASN 80 Ca 0.09 -3.79 -0.22 0.00 0.87 0.00 0.00 54.58 51.53 1ff7 n ASN 80 Cb 0.08 -0.41 0.03 0.00 -1.02 0.00 0.00 39.78 38.46 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 -4.24 1.68 -3.52 0.00 0.28 -0.98 -3.74 120.64 110.13 1ff7 n GLU 82 Ca -0.28 -3.08 -0.29 0.00 -0.16 0.00 0.00 57.16 53.35 1ff7 n GLU 82 Cb 0.67 -1.66 -0.14 0.00 1.43 0.00 0.00 31.44 31.75 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 -3.13 0.10 -0.11 3.84 2.01 -0.07 -4.97 115.64 113.31 1ff7 s THR 83 Ca 0.39 -1.25 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1ff7 s THR 83 Cb 0.36 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1ff7 s THR 83 CO -0.02 -0.85 2.03 -2.28 -0.69 0.00 0.00 174.62 172.81 1ff7 s HIS 84 N 1.58 1.34 0.00 4.92 2.46 -1.26 -0.87 115.29 123.46 1ff7 s HIS 84 Ca 0.13 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1ff7 s HIS 84 Cb -0.19 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 1ff7 s HIS 84 CO -0.19 -4.58 0.89 1.63 -2.47 0.00 0.00 174.74 170.03 1ff7 n LYS 85 N 8.08 0.00 -3.75 2.88 4.76 0.63 -4.90 118.16 125.86 1ff7 n LYS 85 Ca 0.24 0.47 -0.22 0.00 -2.87 0.00 0.00 58.31 55.93 1ff7 n LYS 85 Cb 0.43 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 1ff7 n LYS 85 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ff7 n ASP 86 N -1.91 -1.01 0.00 4.39 -0.08 -1.24 -4.11 116.55 112.59 1ff7 n ASP 86 Ca 0.00 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1ff7 n ASP 86 Cb 0.00 -3.87 0.00 0.00 2.34 0.00 0.00 41.12 39.59 1ff7 n ASP 86 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ff7 n ASP 87 N -3.04 0.00 0.00 1.67 9.92 -1.26 -4.91 116.55 118.93 1ff7 n ASP 87 Ca -0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1ff7 n ASP 87 Cb 0.68 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 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 0.00 -0.52 0.16 0.44 0.00 -1.26 -4.55 105.19 99.46 1ff7 n GLY 88 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.16 2.06 0.00 1.61 2.88 -1.26 -5.25 113.62 112.50 1ff7 n SER 89 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ff7 n SER 89 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81