#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 -1.04 0.00 4.04 2.15 -1.26 -5.14 116.67 115.42 1ff7 s ASP 46 Ca 0.00 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.12 1ff7 s ASP 46 Cb 0.00 2.07 0.00 0.00 -0.30 0.00 0.00 42.92 44.69 1ff7 s ASP 46 CO 0.00 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1ff7 n GLY 47 N 5.35 0.47 3.17 2.66 0.00 -1.26 -4.87 105.19 110.71 1ff7 n GLY 47 Ca -0.08 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.22 5.57 -0.12 1.61 1.11 -1.26 -4.86 116.67 117.50 1ff7 s ASP 48 Ca 0.00 -2.19 0.12 0.00 0.18 0.00 0.00 52.55 50.66 1ff7 s ASP 48 Cb 0.00 -1.95 -0.17 0.00 1.07 0.00 0.00 42.92 41.87 1ff7 s ASP 48 CO 0.00 -0.58 0.07 0.00 1.18 0.00 0.00 175.17 175.84 1ff7 n GLN 49 N 4.47 1.67 -1.05 8.23 6.02 -1.26 -4.54 117.38 130.92 1ff7 n GLN 49 Ca -0.02 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.86 1ff7 n GLN 49 Cb 0.41 -1.34 0.16 0.00 1.02 0.00 0.00 30.24 30.48 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 1.27 0.05 -0.67 0.00 0.00 -1.96 -3.28 119.26 114.67 1ff7 h ALA 51 Ca 0.27 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1ff7 h ALA 51 Cb 1.55 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 1ff7 h ALA 51 CO 0.53 0.35 0.18 0.43 0.00 0.00 0.00 179.25 180.75 1ff7 n SER 52 N -4.21 5.06 -3.16 0.00 7.64 -1.26 -4.98 113.62 112.71 1ff7 n SER 52 Ca -0.11 -3.15 -0.22 0.00 1.01 0.00 0.00 58.87 56.40 1ff7 n SER 52 Cb 0.69 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.04 -6.82 0.15 6.43 2.88 -1.24 -4.88 113.62 110.18 1ff7 n SER 53 Ca 0.37 0.20 0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1ff7 n SER 53 Cb 1.32 -3.67 0.21 0.00 -0.75 0.00 0.00 64.21 61.32 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 1.99 0.00 -7.12 -1.46 0.13 -1.87 -3.45 132.00 120.21 1ff7 h PRO 54 Ca -0.26 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.45 1ff7 h PRO 54 Cb 1.19 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.53 1ff7 h PRO 54 CO 0.22 0.55 -0.03 0.00 -0.23 0.00 0.00 178.00 178.51 1ff7 s GLN 56 N -4.64 1.87 -1.35 0.00 1.11 -0.04 -4.74 119.66 111.87 1ff7 s GLN 56 Ca 0.68 -2.12 -0.08 0.00 0.01 0.00 0.00 55.36 53.86 1ff7 s GLN 56 Cb -0.22 -0.78 0.05 0.00 -1.01 0.00 0.00 33.01 31.05 1ff7 s GLN 56 CO 0.63 -0.38 0.51 0.09 0.01 0.00 0.00 175.29 176.15 1ff7 n ASN 57 N -1.11 -4.43 -2.07 5.90 3.02 -1.25 -0.18 115.26 115.14 1ff7 n ASN 57 Ca -0.06 -0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 53.97 1ff7 n ASN 57 Cb 0.66 -3.64 -0.01 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.27 -0.37 3.77 7.41 0.00 -1.26 -4.96 105.19 108.50 1ff7 n GLY 58 Ca -0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.20 2.05 -0.27 -0.02 0.00 0.75 -4.98 107.32 102.65 1ff7 s GLY 59 Ca 0.01 0.51 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 1ff7 s GLY 59 CO 0.01 0.86 0.57 -0.56 0.00 0.00 0.00 173.10 173.97 1ff7 s SER 60 N -2.73 6.48 -0.15 1.64 0.01 -0.91 -4.75 113.70 113.29 1ff7 s SER 60 Ca 0.66 0.53 -0.20 0.00 1.31 0.00 0.00 55.95 58.25 1ff7 s SER 60 Cb -0.20 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1ff7 s SER 60 CO 0.45 -0.35 0.57 0.00 0.41 0.00 0.00 173.24 174.32 1ff7 s LYS 62 N 1.22 2.31 -0.41 0.00 2.47 0.03 -4.92 119.74 120.44 1ff7 s LYS 62 Ca 0.29 -0.83 -0.24 0.00 -1.56 0.00 0.00 55.97 53.63 1ff7 s LYS 62 Cb -0.16 -2.28 0.02 0.00 -1.46 0.00 0.00 37.83 33.95 1ff7 s LYS 62 CO 0.12 0.59 0.84 0.34 0.16 0.00 0.00 175.35 177.40 1ff7 s ASP 63 N -1.00 6.53 0.00 1.43 -1.08 -1.26 -1.92 116.67 119.37 1ff7 s ASP 63 Ca 0.13 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1ff7 s ASP 63 Cb -0.11 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1ff7 s ASP 63 CO 0.02 -0.87 0.00 0.00 0.52 0.00 0.00 175.17 174.85 1ff7 n GLN 64 N 6.72 1.81 -2.20 4.34 6.02 -1.17 -4.72 117.38 128.18 1ff7 n GLN 64 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 1ff7 n GLN 64 Cb 0.48 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.74 1ff7 n GLN 64 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ff7 s LEU 65 N 0.00 4.00 0.00 1.08 1.98 -1.26 -4.41 118.68 120.07 1ff7 s LEU 65 Ca 0.00 2.36 0.00 0.00 -2.89 0.00 0.00 54.13 53.60 1ff7 s LEU 65 Cb 0.00 -4.24 0.00 0.00 0.66 0.00 0.00 46.19 42.61 1ff7 s LEU 65 CO 0.00 -0.99 0.00 0.00 -1.89 0.00 0.00 176.35 173.47 1ff7 n GLN 66 N -0.53 0.00 0.00 1.98 3.00 -1.26 -4.57 117.38 116.00 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ff7 n SER 67 N 1.92 0.00 -1.43 1.08 7.64 -1.26 -5.09 113.62 116.48 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 -3.76 1.43 0.18 -1.26 -3.06 117.16 110.68 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 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 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 -0.87 0.04 -0.23 -3.48 2.07 -0.81 -4.82 121.20 113.10 1ff7 s ILE 69 Ca 0.00 -0.31 -0.06 0.00 -1.41 0.00 0.00 60.65 58.88 1ff7 s ILE 69 Cb 0.00 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 1ff7 s ILE 69 CO 0.00 -0.17 0.02 0.00 -1.91 0.00 0.00 174.94 172.88 1ff7 s PHE 71 N 1.43 2.77 0.88 0.00 0.40 0.13 -4.80 117.98 118.79 1ff7 s PHE 71 Ca 0.05 -0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 55.63 1ff7 s PHE 71 Cb -0.15 -4.18 0.21 0.00 0.51 0.00 0.00 43.02 39.41 1ff7 s PHE 71 CO 0.01 -1.52 1.15 0.00 0.70 0.00 0.00 175.22 175.55 1ff7 s LEU 73 N 0.00 3.32 0.53 0.00 1.43 -1.26 -4.93 118.68 117.76 1ff7 s LEU 73 Ca 0.66 -0.08 0.35 0.00 -1.03 0.00 0.00 54.13 54.02 1ff7 s LEU 73 Cb -0.02 -2.82 1.61 0.00 0.03 0.00 0.00 46.19 44.99 1ff7 s LEU 73 CO 0.47 -1.10 2.04 1.55 0.23 0.00 0.00 176.35 179.53 1ff7 h PRO 74 N 0.14 0.00 -0.51 1.29 0.13 -2.04 -2.17 132.00 128.84 1ff7 h PRO 74 Ca -0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 1ff7 h PRO 74 Cb 1.29 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.34 1ff7 h PRO 74 CO 0.51 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.40 1ff7 n ALA 75 N -2.02 4.05 -2.28 -0.56 0.00 -1.26 -4.98 120.51 113.46 1ff7 n ALA 75 Ca -0.00 -2.52 -0.15 0.00 0.00 0.00 0.00 53.44 50.77 1ff7 n ALA 75 Cb 0.20 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.01 1.40 0.28 0.00 0.40 -0.82 -2.57 117.98 113.67 1ff7 s PHE 76 Ca 0.49 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.59 1ff7 s PHE 76 Cb 0.40 -0.80 -0.00 0.00 0.51 0.00 0.00 43.02 43.13 1ff7 s PHE 76 CO 0.09 -0.32 0.47 -2.00 0.70 0.00 0.00 175.22 174.16 1ff7 s GLU 77 N -4.01 1.69 0.00 0.44 2.56 0.16 -4.68 118.70 114.86 1ff7 s GLU 77 Ca 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 54.97 53.84 1ff7 s GLU 77 Cb 0.07 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.66 1ff7 s GLU 77 CO 0.10 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.51 1ff7 n GLY 78 N -0.44 2.65 0.32 -1.50 0.00 -1.26 -1.11 105.19 103.85 1ff7 n GLY 78 Ca -0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 1.10 -0.63 1.61 2.43 -1.98 -2.52 114.38 114.40 1ff7 h ARG 79 Ca 0.00 -0.11 -0.31 0.00 -0.81 0.00 0.00 59.98 58.76 1ff7 h ARG 79 Cb 0.00 -0.23 -0.18 0.00 -0.42 0.00 0.00 29.97 29.14 1ff7 h ARG 79 CO 0.00 0.79 0.23 0.09 -1.51 0.00 0.00 179.97 179.57 1ff7 n ASN 80 N -4.45 3.21 -3.64 -3.80 4.13 -1.26 -4.16 115.26 105.28 1ff7 n ASN 80 Ca 0.08 -3.64 -0.21 0.00 1.68 0.00 0.00 54.58 52.49 1ff7 n ASN 80 Cb 0.07 -0.72 0.05 0.00 -1.54 0.00 0.00 39.78 37.64 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 -4.32 2.62 -3.62 0.00 0.28 -1.14 -3.80 120.64 110.67 1ff7 n GLU 82 Ca -0.25 -2.90 -0.28 0.00 -0.16 0.00 0.00 57.16 53.57 1ff7 n GLU 82 Cb 0.65 -1.83 -0.16 0.00 1.43 0.00 0.00 31.44 31.54 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 -2.92 0.20 -0.19 3.84 2.01 -0.26 -4.97 115.64 113.34 1ff7 s THR 83 Ca 0.42 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 1ff7 s THR 83 Cb 0.35 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1ff7 s THR 83 CO 0.07 -0.56 1.21 -2.28 -0.69 0.00 0.00 174.62 172.37 1ff7 s HIS 84 N 1.98 2.96 0.00 4.92 2.46 -1.26 0.36 115.29 126.70 1ff7 s HIS 84 Ca 0.06 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.70 1ff7 s HIS 84 Cb -0.16 -3.47 0.00 0.00 -0.13 0.00 0.00 32.58 28.81 1ff7 s HIS 84 CO -0.25 -1.40 0.00 1.63 -2.47 0.00 0.00 174.74 172.25 1ff7 n LYS 85 N 6.59 0.00 0.00 2.88 4.76 -1.06 -4.86 118.16 126.46 1ff7 n LYS 85 Ca 0.13 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1ff7 n LYS 85 Cb 0.45 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 1ff7 n LYS 85 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ff7 n ASP 86 N -1.79 0.00 0.00 4.39 9.92 -1.16 -4.82 116.55 123.09 1ff7 n ASP 86 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ff7 n ASP 86 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ff7 n ASP 87 N 1.77 0.00 0.00 -2.24 2.03 -1.26 -4.85 116.55 112.00 1ff7 n ASP 87 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ff7 n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ff7 n GLY 88 N 0.00 1.14 3.54 0.27 0.00 -1.26 -4.87 105.19 104.01 1ff7 n GLY 88 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.00 -0.65 0.00 1.61 1.04 -1.26 -5.33 113.70 105.11 1ff7 s SER 89 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1ff7 s SER 89 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1ff7 s SER 89 CO 0.00 -0.52 0.27 0.00 0.98 0.00 0.00 173.24 173.96