#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 6.25 0.17 4.04 1.01 -1.26 -4.74 116.67 122.14 1ff7 s ASP 46 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1ff7 s ASP 46 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1ff7 s ASP 46 CO 0.00 -1.48 0.00 0.61 0.21 0.00 0.00 175.17 174.51 1ff7 n GLY 47 N 5.48 -4.86 3.12 0.21 0.00 -1.26 -4.36 105.19 103.52 1ff7 n GLY 47 Ca 0.04 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.59 5.70 -0.38 1.61 1.01 -1.26 -4.49 116.67 118.27 1ff7 s ASP 48 Ca 0.00 -3.26 0.05 0.00 0.71 0.00 0.00 52.55 50.05 1ff7 s ASP 48 Cb 0.00 -1.91 0.61 0.00 1.01 0.00 0.00 42.92 42.64 1ff7 s ASP 48 CO 0.00 -0.29 1.80 0.00 0.21 0.00 0.00 175.17 176.89 1ff7 n GLN 49 N 2.97 2.37 -2.55 8.23 1.13 -1.26 -4.34 117.38 123.92 1ff7 n GLN 49 Ca 0.15 -2.70 -0.12 0.00 -1.94 0.00 0.00 57.00 52.39 1ff7 n GLN 49 Cb 0.38 -2.07 0.03 0.00 0.11 0.00 0.00 30.24 28.69 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ff7 h ALA 51 N 2.60 0.61 -0.16 0.00 0.00 -2.02 -3.31 119.26 116.98 1ff7 h ALA 51 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1ff7 h ALA 51 Cb 1.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1ff7 h ALA 51 CO 0.49 0.79 -0.11 0.45 0.00 0.00 0.00 179.25 180.87 1ff7 n SER 52 N -3.21 2.66 -3.04 0.00 2.88 -1.26 -5.03 113.62 106.61 1ff7 n SER 52 Ca 0.00 -3.41 -0.11 0.00 -1.33 0.00 0.00 58.87 54.02 1ff7 n SER 52 Cb 0.79 -0.53 0.01 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.06 -7.12 0.15 -3.46 2.88 -1.25 -4.88 113.62 98.88 1ff7 n SER 53 Ca 0.23 0.59 0.01 0.00 -1.33 0.00 0.00 58.87 58.37 1ff7 n SER 53 Cb 0.82 -3.70 0.19 0.00 -0.75 0.00 0.00 64.21 60.78 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 2.65 0.00 -7.10 -1.46 0.13 -1.88 -3.45 132.00 120.90 1ff7 h PRO 54 Ca -0.13 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.61 1ff7 h PRO 54 Cb 0.83 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.17 1ff7 h PRO 54 CO 0.14 0.56 -0.07 0.00 -0.23 0.00 0.00 178.00 178.39 1ff7 s GLN 56 N -5.12 1.56 -1.51 0.00 0.74 0.25 -4.86 119.66 110.73 1ff7 s GLN 56 Ca 0.69 -1.58 -0.12 0.00 0.05 0.00 0.00 55.36 54.40 1ff7 s GLN 56 Cb -0.13 0.39 0.08 0.00 1.10 0.00 0.00 33.01 34.45 1ff7 s GLN 56 CO 0.58 -0.61 0.93 0.09 -0.55 0.00 0.00 175.29 175.73 1ff7 n ASN 57 N -0.74 -4.21 -2.17 6.67 3.02 -1.25 -0.46 115.26 116.12 1ff7 n ASN 57 Ca 0.01 -0.80 -0.20 0.00 -0.03 0.00 0.00 54.58 53.56 1ff7 n ASN 57 Cb 0.63 -3.85 -0.02 0.00 -0.61 0.00 0.00 39.78 35.94 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 -0.17 3.68 7.41 0.00 -1.26 -4.96 105.19 108.22 1ff7 n GLY 58 Ca -0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 1.63 -0.34 -0.02 0.00 0.39 -4.98 107.32 101.81 1ff7 s GLY 59 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 1ff7 s GLY 59 CO 0.00 0.61 0.37 -0.56 0.00 0.00 0.00 173.10 173.52 1ff7 s SER 60 N -3.11 6.18 0.15 1.64 0.01 -0.92 -4.79 113.70 112.87 1ff7 s SER 60 Ca 0.65 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.52 1ff7 s SER 60 Cb -0.20 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1ff7 s SER 60 CO 0.58 -0.35 0.57 0.00 0.41 0.00 0.00 173.24 174.45 1ff7 s LYS 62 N -1.89 -0.02 -0.11 0.00 2.20 -0.53 -4.95 119.74 114.44 1ff7 s LYS 62 Ca 0.37 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 56.04 1ff7 s LYS 62 Cb -0.15 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 1ff7 s LYS 62 CO 0.19 -0.25 1.46 0.16 -0.36 0.00 0.00 175.35 176.55 1ff7 s ASP 63 N 1.69 6.81 0.13 1.43 -4.77 -1.26 -1.85 116.67 118.85 1ff7 s ASP 63 Ca -0.02 1.97 0.00 0.00 -3.30 0.00 0.00 52.55 51.20 1ff7 s ASP 63 Cb -0.12 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1ff7 s ASP 63 CO -0.04 -0.84 0.00 0.00 0.70 0.00 0.00 175.17 174.99 1ff7 n GLN 64 N 6.84 1.62 -1.83 2.11 1.13 -1.12 -4.79 117.38 121.34 1ff7 n GLN 64 Ca 0.16 -0.95 -0.41 0.00 -1.94 0.00 0.00 57.00 53.85 1ff7 n GLN 64 Cb 0.44 0.27 -0.01 0.00 0.11 0.00 0.00 30.24 31.05 1ff7 n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ff7 s LEU 65 N 0.00 4.34 0.00 1.08 1.02 -1.26 -4.29 118.68 119.57 1ff7 s LEU 65 Ca 0.00 2.97 0.00 0.00 0.02 0.00 0.00 54.13 57.13 1ff7 s LEU 65 Cb 0.00 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.56 1ff7 s LEU 65 CO 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 176.35 175.52 1ff7 n GLN 66 N 1.16 0.00 0.00 1.70 6.02 -1.26 -4.56 117.38 120.44 1ff7 n GLN 66 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1ff7 n GLN 66 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 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 1.90 0.00 -1.32 1.08 7.64 -1.26 -4.72 113.62 116.95 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 -3.75 1.43 4.11 -1.26 -2.78 117.16 114.91 1ff7 n TYR 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1ff7 n TYR 68 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 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 -1.27 -0.02 -0.30 -3.48 2.07 -0.77 -4.81 121.20 112.62 1ff7 s ILE 69 Ca 0.00 0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.22 1ff7 s ILE 69 Cb 0.00 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1ff7 s ILE 69 CO 0.00 0.03 0.16 0.00 -1.91 0.00 0.00 174.94 173.22 1ff7 s PHE 71 N 1.67 2.99 1.11 0.00 0.08 0.19 -4.87 117.98 119.15 1ff7 s PHE 71 Ca 0.06 -1.11 -0.17 0.00 0.12 0.00 0.00 56.93 55.83 1ff7 s PHE 71 Cb -0.16 -4.25 0.25 0.00 -0.57 0.00 0.00 43.02 38.28 1ff7 s PHE 71 CO 0.08 -1.50 1.13 0.00 -0.10 0.00 0.00 175.22 174.83 1ff7 s LEU 73 N -6.65 2.67 0.56 0.00 1.43 -1.26 -4.91 118.68 110.52 1ff7 s LEU 73 Ca 0.70 0.58 0.33 0.00 -1.03 0.00 0.00 54.13 54.71 1ff7 s LEU 73 Cb -0.11 -3.12 1.62 0.00 0.03 0.00 0.00 46.19 44.61 1ff7 s LEU 73 CO 0.56 -1.80 2.10 1.55 0.23 0.00 0.00 176.35 178.98 1ff7 h PRO 74 N -0.86 0.00 -0.59 1.29 0.13 -2.04 -2.10 132.00 127.83 1ff7 h PRO 74 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 1ff7 h PRO 74 Cb 1.32 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1ff7 h PRO 74 CO 0.62 0.06 0.19 0.00 -0.23 0.00 0.00 178.00 178.64 1ff7 n ALA 75 N -2.17 4.38 -2.20 -0.56 0.00 -1.26 -4.97 120.51 113.74 1ff7 n ALA 75 Ca -0.01 -2.66 -0.12 0.00 0.00 0.00 0.00 53.44 50.65 1ff7 n ALA 75 Cb 0.23 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.09 1.03 0.31 0.00 0.40 -0.79 -2.55 117.98 113.29 1ff7 s PHE 76 Ca 0.50 -0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 1ff7 s PHE 76 Cb 0.42 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 43.36 1ff7 s PHE 76 CO 0.08 -0.19 0.49 -2.00 0.70 0.00 0.00 175.22 174.31 1ff7 s GLU 77 N -3.88 1.79 0.00 0.44 2.56 -0.34 -4.60 118.70 114.67 1ff7 s GLU 77 Ca 0.18 -1.55 0.00 0.00 0.00 0.00 0.00 54.97 53.60 1ff7 s GLU 77 Cb 0.06 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.65 1ff7 s GLU 77 CO -0.01 -0.75 0.00 0.41 -0.56 0.00 0.00 175.26 174.36 1ff7 n GLY 78 N -0.48 2.63 0.24 -1.50 0.00 -1.26 -1.05 105.19 103.75 1ff7 n GLY 78 Ca -0.01 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 0.77 -0.69 1.61 -0.00 -1.98 -2.73 114.38 111.36 1ff7 h ARG 79 Ca 0.00 -0.11 -0.31 0.00 -0.50 0.00 0.00 59.98 59.06 1ff7 h ARG 79 Cb 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 29.97 29.65 1ff7 h ARG 79 CO 0.00 0.63 0.29 0.09 0.00 0.00 0.00 179.97 180.99 1ff7 n ASN 80 N -4.58 3.62 -3.68 7.04 5.03 -1.26 -4.38 115.26 117.05 1ff7 n ASN 80 Ca 0.03 -3.53 -0.22 0.00 0.87 0.00 0.00 54.58 51.72 1ff7 n ASN 80 Cb 0.12 -0.73 0.05 0.00 -1.02 0.00 0.00 39.78 38.19 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 -4.38 2.06 -3.60 0.00 0.28 -1.11 -3.90 120.64 109.99 1ff7 n GLU 82 Ca -0.21 -3.00 -0.29 0.00 -0.16 0.00 0.00 57.16 53.50 1ff7 n GLU 82 Cb 0.64 -1.76 -0.12 0.00 1.43 0.00 0.00 31.44 31.63 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 -3.07 1.07 0.01 3.84 2.01 -0.22 -4.97 115.64 114.31 1ff7 s THR 83 Ca 0.41 -2.65 -0.30 0.00 0.31 0.00 0.00 61.69 59.46 1ff7 s THR 83 Cb 0.36 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.05 1ff7 s THR 83 CO 0.02 -1.02 1.89 -2.28 -0.69 0.00 0.00 174.62 172.54 1ff7 s HIS 84 N 0.17 1.45 -0.85 4.92 2.46 -1.26 -1.20 115.29 120.97 1ff7 s HIS 84 Ca 0.23 -0.29 -0.23 0.00 0.47 0.00 0.00 55.06 55.24 1ff7 s HIS 84 Cb -0.14 -4.16 0.07 0.00 -0.13 0.00 0.00 32.58 28.22 1ff7 s HIS 84 CO -0.07 -5.13 1.22 0.15 -2.47 0.00 0.00 174.74 168.43 1ff7 s LYS 85 N 4.37 3.39 -0.44 2.88 1.02 -1.06 -4.87 119.74 125.03 1ff7 s LYS 85 Ca 0.85 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1ff7 s LYS 85 Cb -0.40 -4.73 0.18 0.00 -0.52 0.00 0.00 37.83 32.35 1ff7 s LYS 85 CO 0.38 -2.00 0.46 0.34 -0.92 0.00 0.00 175.35 173.61 1ff7 s ASP 86 N 4.08 0.55 -0.47 2.83 2.15 -1.26 -4.84 116.67 119.71 1ff7 s ASP 86 Ca 0.35 -2.65 -0.23 0.00 0.43 0.00 0.00 52.55 50.45 1ff7 s ASP 86 Cb -0.07 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.86 1ff7 s ASP 86 CO 0.00 -0.14 0.80 -1.81 -0.17 0.00 0.00 175.17 173.86 1ff7 s ASP 87 N 0.33 6.39 0.00 -0.34 1.11 -1.26 -4.98 116.67 117.92 1ff7 s ASP 87 Ca 0.32 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.87 1ff7 s ASP 87 Cb 0.02 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1ff7 s ASP 87 CO -0.15 -0.96 0.00 0.61 1.18 0.00 0.00 175.17 175.85 1ff7 n GLY 88 N 5.01 0.35 2.93 0.21 0.00 -1.26 -5.02 105.19 107.41 1ff7 n GLY 88 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1ff7 n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ff7 n SER 89 N 0.00 -7.43 0.00 1.61 7.64 -1.26 -5.36 113.62 108.82 1ff7 n SER 89 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1ff7 n SER 89 Cb 0.00 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03