#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 3.16 0.00 -3.46 9.92 -1.26 -5.04 116.55 119.87 1ff7 n ASP 46 Ca 0.00 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.58 1ff7 n ASP 46 Cb 0.00 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ff7 n GLY 47 N -1.10 0.72 2.77 0.44 0.00 -1.26 -4.75 105.19 102.00 1ff7 n GLY 47 Ca 0.46 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.28 3.99 -0.05 1.61 1.11 -1.26 -4.92 116.67 114.86 1ff7 s ASP 48 Ca 0.00 -2.11 0.07 0.00 0.18 0.00 0.00 52.55 50.69 1ff7 s ASP 48 Cb 0.00 -1.04 -0.09 0.00 1.07 0.00 0.00 42.92 42.85 1ff7 s ASP 48 CO 0.00 -0.35 0.06 0.00 1.18 0.00 0.00 175.17 176.06 1ff7 n GLN 49 N 4.24 2.16 -0.98 8.23 3.00 -1.26 -4.59 117.38 128.19 1ff7 n GLN 49 Ca 0.03 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 1ff7 n GLN 49 Cb 0.39 -1.18 0.23 0.00 0.00 0.00 0.00 30.24 29.68 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 -0.77 1.74 -1.30 0.00 0.00 -1.26 -4.12 120.51 114.80 1ff7 n ALA 51 Ca 0.43 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1ff7 n ALA 51 Cb 1.34 -0.92 0.21 0.00 0.00 0.00 0.00 19.45 20.08 1ff7 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ff7 n SER 52 N -2.96 2.91 -3.31 0.00 7.64 -1.26 -5.01 113.62 111.63 1ff7 n SER 52 Ca -0.13 -3.53 -0.30 0.00 1.01 0.00 0.00 58.87 55.92 1ff7 n SER 52 Cb 0.93 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ff7 n SER 53 N -0.96 -6.24 0.17 6.43 3.41 -1.26 -4.87 113.62 110.31 1ff7 n SER 53 Ca 0.30 0.05 0.04 0.00 -0.26 0.00 0.00 58.87 59.00 1ff7 n SER 53 Cb 1.00 -2.77 0.28 0.00 -0.26 0.00 0.00 64.21 62.46 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ff7 h PRO 54 N 2.07 0.00 0.00 4.33 0.13 -1.90 -3.45 132.00 133.19 1ff7 h PRO 54 Ca -0.40 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.31 1ff7 h PRO 54 Cb 1.29 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1ff7 h PRO 54 CO 0.22 0.44 -0.01 0.00 -0.23 0.00 0.00 178.00 178.42 1ff7 n GLN 56 N -2.27 1.39 -2.43 0.00 3.00 -0.64 -4.82 117.38 111.61 1ff7 n GLN 56 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.98 1ff7 n GLN 56 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.75 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 -1.24 -4.54 -2.62 1.08 3.02 -1.24 -0.84 115.26 108.87 1ff7 n ASN 57 Ca 0.00 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 1ff7 n ASN 57 Cb 0.00 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.35 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 -0.87 -0.51 3.73 7.41 0.00 -1.26 -4.93 105.19 108.76 1ff7 n GLY 58 Ca -0.18 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.28 2.64 -0.55 -0.02 0.00 -0.02 -4.94 107.32 102.15 1ff7 s GLY 59 Ca 0.11 1.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.65 1ff7 s GLY 59 CO 0.13 1.45 0.82 -0.56 0.00 0.00 0.00 173.10 174.95 1ff7 s SER 60 N -1.68 6.27 -0.28 1.64 0.01 -0.85 -4.86 113.70 113.94 1ff7 s SER 60 Ca 0.78 -0.69 -0.21 0.00 1.31 0.00 0.00 55.95 57.14 1ff7 s SER 60 Cb -0.33 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1ff7 s SER 60 CO 0.40 -1.14 0.65 0.00 0.41 0.00 0.00 173.24 173.56 1ff7 s LYS 62 N 2.59 2.99 -0.94 0.00 2.20 0.19 -4.85 119.74 121.93 1ff7 s LYS 62 Ca 0.27 -0.41 -0.22 0.00 -0.36 0.00 0.00 55.97 55.24 1ff7 s LYS 62 Cb -0.15 -2.81 0.08 0.00 -1.51 0.00 0.00 37.83 33.44 1ff7 s LYS 62 CO 0.10 0.70 1.28 -0.51 -0.36 0.00 0.00 175.35 176.56 1ff7 s ASP 63 N -1.00 6.50 0.45 1.43 1.01 -1.26 -1.88 116.67 121.92 1ff7 s ASP 63 Ca 0.14 -1.58 0.00 0.00 0.71 0.00 0.00 52.55 51.83 1ff7 s ASP 63 Cb -0.11 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1ff7 s ASP 63 CO 0.04 -1.36 0.00 0.00 0.21 0.00 0.00 175.17 174.06 1ff7 n GLN 64 N 7.96 0.65 -2.38 8.23 1.13 -1.21 -4.85 117.38 126.90 1ff7 n GLN 64 Ca 0.25 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.95 1ff7 n GLN 64 Cb 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.83 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 3.93 0.00 1.08 1.02 -1.26 -4.48 118.68 118.97 1ff7 s LEU 65 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.28 1ff7 s LEU 65 Cb 0.00 -4.39 0.00 0.00 0.02 0.00 0.00 46.19 41.82 1ff7 s LEU 65 CO 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 176.35 175.49 1ff7 n GLN 66 N -0.72 0.00 0.00 1.70 1.13 -1.26 -4.56 117.38 113.66 1ff7 n GLN 66 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1ff7 n GLN 66 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ff7 n SER 67 N 1.92 0.00 -1.66 1.08 2.88 -1.26 -5.02 113.62 111.55 1ff7 n SER 67 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1ff7 n SER 67 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ff7 n TYR 68 N 0.00 0.01 -3.75 0.66 4.11 -1.26 -3.31 117.16 113.63 1ff7 n TYR 68 Ca 0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.90 57.64 1ff7 n TYR 68 Cb 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 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 -1.53 0.01 -0.31 -3.48 2.07 -0.79 -4.83 121.20 112.35 1ff7 s ILE 69 Ca 0.01 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1ff7 s ILE 69 Cb 0.00 -0.53 0.05 0.00 0.13 0.00 0.00 42.46 42.11 1ff7 s ILE 69 CO 0.01 -0.05 0.02 0.00 -1.91 0.00 0.00 174.94 173.01 1ff7 s PHE 71 N 1.26 2.79 0.00 0.00 0.08 0.23 -4.78 117.98 117.57 1ff7 s PHE 71 Ca -0.04 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1ff7 s PHE 71 Cb -0.20 -4.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.05 1ff7 s PHE 71 CO -0.01 -1.52 0.00 0.00 -0.10 0.00 0.00 175.22 173.59 1ff7 s LEU 73 N 0.00 3.48 0.00 0.00 1.02 -1.26 -4.96 118.68 116.97 1ff7 s LEU 73 Ca 0.00 0.62 0.12 0.00 0.02 0.00 0.00 54.13 54.89 1ff7 s LEU 73 Cb 0.00 -3.50 0.50 0.00 0.02 0.00 0.00 46.19 43.21 1ff7 s LEU 73 CO 0.00 -0.81 1.37 -0.81 0.02 0.00 0.00 176.35 176.12 1ff7 n PRO 74 N -2.32 0.00 0.08 1.29 -0.04 -1.26 -2.09 135.00 130.67 1ff7 n PRO 74 Ca 0.02 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1ff7 n PRO 74 Cb 0.57 -1.51 0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1ff7 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ff7 h ALA 75 N 2.39 0.54 -2.25 0.55 0.00 -1.89 -3.43 119.26 115.16 1ff7 h ALA 75 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1ff7 h ALA 75 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ff7 h ALA 75 CO 0.00 0.00 -0.33 -0.06 0.00 0.00 0.00 179.25 178.86 1ff7 s PHE 76 N -3.26 3.47 0.36 0.00 0.08 -0.89 -0.96 117.98 116.78 1ff7 s PHE 76 Ca 0.03 0.15 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1ff7 s PHE 76 Cb 0.11 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1ff7 s PHE 76 CO 0.76 0.32 0.54 -2.00 -0.10 0.00 0.00 175.22 174.73 1ff7 s GLU 77 N -4.03 2.01 0.00 0.44 2.56 0.17 -4.76 118.70 115.08 1ff7 s GLU 77 Ca 0.37 -1.74 0.00 0.00 0.00 0.00 0.00 54.97 53.60 1ff7 s GLU 77 Cb -0.09 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.51 1ff7 s GLU 77 CO 0.32 -0.85 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 1ff7 n GLY 78 N -0.58 2.81 0.35 -1.50 0.00 -1.26 -0.91 105.19 104.11 1ff7 n GLY 78 Ca -0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.15 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 1.14 -0.43 1.61 9.65 -2.00 -2.78 114.38 121.56 1ff7 h ARG 79 Ca 0.00 -0.11 -0.27 0.00 -1.10 0.00 0.00 59.98 58.49 1ff7 h ARG 79 Cb 0.00 -0.23 -0.18 0.00 -1.39 0.00 0.00 29.97 28.17 1ff7 h ARG 79 CO 0.00 0.81 -0.25 0.09 2.80 0.00 0.00 179.97 183.42 1ff7 n ASN 80 N -4.36 3.30 -3.67 -3.80 5.03 -1.26 -4.95 115.26 105.56 1ff7 n ASN 80 Ca 0.09 -3.81 -0.23 0.00 0.87 0.00 0.00 54.58 51.50 1ff7 n ASN 80 Cb 0.08 -0.58 0.04 0.00 -1.02 0.00 0.00 39.78 38.30 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 -4.16 1.62 -3.72 0.00 0.28 -1.00 -3.06 120.64 110.61 1ff7 n GLU 82 Ca -0.24 -3.02 -0.23 0.00 -0.16 0.00 0.00 57.16 53.51 1ff7 n GLU 82 Cb 0.66 -1.63 -0.18 0.00 1.43 0.00 0.00 31.44 31.73 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 -3.10 0.19 -0.97 3.84 2.01 -0.08 -4.97 115.64 112.56 1ff7 s THR 83 Ca 0.37 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 1ff7 s THR 83 Cb 0.34 -0.45 0.09 0.00 0.01 0.00 0.00 72.50 72.50 1ff7 s THR 83 CO -0.02 0.15 1.28 -2.28 -0.69 0.00 0.00 174.62 173.06 1ff7 s HIS 84 N 2.04 2.86 -0.69 4.92 2.46 -1.26 0.43 115.29 126.04 1ff7 s HIS 84 Ca 0.04 -1.15 -0.26 0.00 0.47 0.00 0.00 55.06 54.16 1ff7 s HIS 84 Cb -0.13 -4.47 0.04 0.00 -0.13 0.00 0.00 32.58 27.89 1ff7 s HIS 84 CO -0.05 -1.69 1.16 0.15 -2.47 0.00 0.00 174.74 171.84 1ff7 s LYS 85 N 3.70 3.20 -1.25 2.88 -0.14 -0.13 -4.94 119.74 123.06 1ff7 s LYS 85 Ca 0.39 -0.39 -0.15 0.00 -1.36 0.00 0.00 55.97 54.46 1ff7 s LYS 85 Cb -0.03 -4.17 0.14 0.00 -1.68 0.00 0.00 37.83 32.09 1ff7 s LYS 85 CO -0.10 -1.97 1.55 -0.25 -0.76 0.00 0.00 175.35 173.82 1ff7 n ASP 86 N 8.68 5.12 -0.53 2.83 8.00 -1.26 -4.45 116.55 134.94 1ff7 n ASP 86 Ca 0.01 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.55 1ff7 n ASP 86 Cb 0.48 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ff7 n ASP 87 N 6.57 0.00 -4.32 -2.24 5.68 -1.26 -5.14 116.55 115.84 1ff7 n ASP 87 Ca 0.41 -0.53 -0.36 0.00 -0.50 0.00 0.00 54.79 53.81 1ff7 n ASP 87 Cb 0.44 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.28 1ff7 n ASP 87 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ff7 s GLY 88 N -1.17 1.66 -0.47 6.12 0.00 -1.26 -4.87 107.32 107.33 1ff7 s GLY 88 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.53 1ff7 s GLY 88 CO 0.00 0.49 1.29 1.44 0.00 0.00 0.00 173.10 176.32 1ff7 n SER 89 N 4.82 5.27 -0.57 1.64 7.64 -1.26 -5.20 113.62 125.95 1ff7 n SER 89 Ca -0.17 -3.75 0.14 0.00 1.01 0.00 0.00 58.87 56.10 1ff7 n SER 89 Cb 0.50 -0.54 0.45 0.00 -1.01 0.00 0.00 64.21 63.61 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03