#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccf s ASP 46 N 0.00 4.23 0.00 -5.58 1.01 -1.26 -5.05 116.67 110.02 1ccf s ASP 46 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 52.55 50.47 1ccf s ASP 46 Cb 0.00 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1ccf s ASP 46 CO 0.00 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1ccf n GLY 47 N 3.39 -1.57 3.13 0.21 0.00 -1.26 -4.73 105.19 104.36 1ccf n GLY 47 Ca 0.05 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1ccf n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ccf s ASP 48 N -3.57 3.25 0.00 1.61 1.11 -1.26 -4.96 116.67 112.85 1ccf s ASP 48 Ca 0.00 -0.67 0.18 0.00 0.18 0.00 0.00 52.55 52.24 1ccf s ASP 48 Cb 0.00 -1.50 0.41 0.00 1.07 0.00 0.00 42.92 42.90 1ccf s ASP 48 CO 0.00 -0.01 1.33 0.00 1.18 0.00 0.00 175.17 177.67 1ccf n GLN 49 N 4.62 2.44 0.00 8.23 3.00 -1.26 -4.36 117.38 130.05 1ccf n GLN 49 Ca -0.21 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.60 1ccf n GLN 49 Cb 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1ccf n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ccf n GLU 51 N -0.25 0.64 -0.83 0.00 2.13 -1.26 -2.74 120.64 118.33 1ccf n GLU 51 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1ccf n GLU 51 Cb 0.32 -1.26 -0.00 0.00 0.27 0.00 0.00 31.44 30.77 1ccf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ccf n GLY 52 N 0.40 0.72 3.36 8.31 0.00 -1.26 -5.05 105.19 111.66 1ccf n GLY 52 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1ccf n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ccf n HIS 53 N 0.14 -2.84 0.06 1.61 8.25 -1.11 -4.90 115.22 116.43 1ccf n HIS 53 Ca -0.01 1.17 -0.14 0.00 -0.26 0.00 0.00 57.72 58.49 1ccf n HIS 53 Cb 0.80 -2.52 -0.14 0.00 1.12 0.00 0.00 29.99 29.25 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ccf h PRO 54 N 1.78 0.17 -7.14 -0.41 0.10 -1.87 -3.45 132.00 121.18 1ccf h PRO 54 Ca -0.42 -0.29 -0.47 0.00 0.10 0.00 0.00 66.00 64.92 1ccf h PRO 54 Cb 1.30 0.11 0.03 0.00 0.10 0.00 0.00 31.00 32.54 1ccf h PRO 54 CO 0.24 1.02 0.38 0.00 0.10 0.00 0.00 178.00 179.74 1ccf s LEU 56 N -3.91 3.35 -0.94 0.00 1.43 0.62 -4.47 118.68 114.75 1ccf s LEU 56 Ca 0.64 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.74 1ccf s LEU 56 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.07 1ccf s LEU 56 CO 0.27 -0.78 0.54 0.59 0.23 0.00 0.00 176.35 177.20 1ccf n ASN 57 N -1.69 -3.39 -3.91 2.29 3.02 -1.26 -1.34 115.26 108.98 1ccf n ASN 57 Ca 0.05 -1.03 -0.26 0.00 -0.03 0.00 0.00 54.58 53.31 1ccf n ASN 57 Cb 0.61 -1.28 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 1ccf n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ccf n GLN 58 N -4.02 -3.13 -2.22 3.52 3.00 -1.26 -4.90 117.38 108.38 1ccf n GLN 58 Ca -0.11 0.42 -0.26 0.00 -0.01 0.00 0.00 57.00 57.03 1ccf n GLN 58 Cb 0.47 -4.49 0.08 0.00 0.00 0.00 0.00 30.24 26.30 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ccf s GLY 59 N -4.27 1.71 0.19 1.08 0.00 -0.45 -4.50 107.32 101.08 1ccf s GLY 59 Ca 0.06 -1.04 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 1ccf s GLY 59 CO 0.88 -0.58 0.61 -1.58 0.00 0.00 0.00 173.10 172.43 1ccf s HIS 60 N -3.30 3.57 -0.06 1.90 2.46 0.15 -4.87 115.29 115.15 1ccf s HIS 60 Ca 0.62 1.14 -0.00 0.00 0.47 0.00 0.00 55.06 57.29 1ccf s HIS 60 Cb -0.09 -2.44 0.02 0.00 -0.13 0.00 0.00 32.58 29.94 1ccf s HIS 60 CO 0.45 0.35 -0.03 0.00 -2.47 0.00 0.00 174.74 173.04 1ccf n LYS 62 N 4.58 1.24 0.00 0.00 3.00 -0.34 -5.02 118.16 121.62 1ccf n LYS 62 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1ccf n LYS 62 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ccf n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ccf n GLY 64 N 1.75 1.47 3.47 3.14 0.00 -0.63 -1.16 105.19 113.22 1ccf n GLY 64 Ca 0.00 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1ccf n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ccf s ILE 65 N 1.50 4.57 0.00 -0.61 1.01 -1.26 -4.59 121.20 121.83 1ccf s ILE 65 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1ccf s ILE 65 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1ccf s ILE 65 CO 0.00 -1.58 0.00 0.61 0.00 0.00 0.00 174.94 173.97 1ccf n GLY 66 N 5.72 2.12 3.75 6.18 0.00 -1.26 -4.86 105.19 116.83 1ccf n GLY 66 Ca 0.24 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1ccf n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ccf s ASP 67 N -0.92 3.70 0.32 1.61 1.01 -1.26 -4.74 116.67 116.39 1ccf s ASP 67 Ca 0.00 1.31 0.09 0.00 0.71 0.00 0.00 52.55 54.67 1ccf s ASP 67 Cb 0.00 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1ccf s ASP 67 CO 0.00 -2.47 -0.01 -0.72 0.21 0.00 0.00 175.17 172.18 1ccf s TYR 68 N -3.06 2.55 -0.04 4.23 1.13 -1.26 -1.61 117.35 119.29 1ccf s TYR 68 Ca 0.63 -0.40 0.03 0.00 -1.41 0.00 0.00 57.07 55.93 1ccf s TYR 68 Cb -0.16 -1.40 0.00 0.00 -1.10 0.00 0.00 41.96 39.29 1ccf s TYR 68 CO 0.56 0.52 -0.13 0.95 -2.51 0.00 0.00 175.55 174.93 1ccf s THR 69 N -2.49 1.12 -0.18 -3.49 -4.23 -0.31 -4.88 115.64 101.18 1ccf s THR 69 Ca 0.34 -0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1ccf s THR 69 Cb -0.01 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 1ccf s THR 69 CO 0.19 0.33 -0.09 0.00 -0.54 0.00 0.00 174.62 174.51 1ccf s THR 71 N 0.98 3.90 0.51 0.00 -4.23 -0.03 -4.93 115.64 111.85 1ccf s THR 71 Ca -0.01 -0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 59.98 1ccf s THR 71 Cb -0.15 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.84 1ccf s THR 71 CO -0.01 0.40 1.07 0.00 -0.54 0.00 0.00 174.62 175.55 1ccf s ALA 73 N -1.92 1.20 -0.37 0.00 0.00 -1.26 -4.79 121.76 114.62 1ccf s ALA 73 Ca 0.69 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 1ccf s ALA 73 Cb -0.19 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1ccf s ALA 73 CO 0.23 -2.66 2.14 -2.00 0.00 0.00 0.00 175.76 173.47 1ccf s GLU 74 N -5.04 2.81 0.00 0.00 2.12 -1.26 -1.62 118.70 115.72 1ccf s GLU 74 Ca 0.65 1.54 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1ccf s GLU 74 Cb -0.18 -4.40 0.00 0.00 0.26 0.00 0.00 34.13 29.82 1ccf s GLU 74 CO 0.57 -2.47 0.00 0.41 -0.54 0.00 0.00 175.26 173.22 1ccf n GLY 75 N 5.75 3.97 3.67 -1.50 0.00 -1.26 -5.12 105.19 110.70 1ccf n GLY 75 Ca 0.29 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1ccf n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ccf s PHE 76 N 0.00 2.66 -0.23 1.61 0.40 -0.64 -1.69 117.98 120.10 1ccf s PHE 76 Ca 0.00 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1ccf s PHE 76 Cb 0.00 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.18 1ccf s PHE 76 CO 0.00 0.48 0.53 -2.00 0.70 0.00 0.00 175.22 174.93 1ccf s GLU 77 N -3.75 0.49 0.00 0.44 2.12 -0.73 -4.57 118.70 112.70 1ccf s GLU 77 Ca 0.35 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1ccf s GLU 77 Cb -0.03 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1ccf s GLU 77 CO 0.21 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1ccf n GLY 78 N 4.81 2.34 0.37 -1.50 0.00 -1.26 -3.61 105.19 106.35 1ccf n GLY 78 Ca -0.16 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 1ccf n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ccf n LYS 79 N -0.96 -0.22 -0.17 1.61 3.00 -1.26 -0.59 118.16 119.57 1ccf n LYS 79 Ca 0.00 1.51 0.05 0.00 -0.00 0.00 0.00 58.31 59.87 1ccf n LYS 79 Cb 0.00 -2.24 0.13 0.00 0.00 0.00 0.00 35.03 32.92 1ccf n LYS 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ccf n ASN 80 N -5.46 2.81 -0.80 3.14 3.02 -1.26 -4.87 115.26 111.85 1ccf n ASN 80 Ca 0.11 -2.20 -0.06 0.00 -0.03 0.00 0.00 54.58 52.40 1ccf n ASN 80 Cb 0.40 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1ccf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ccf h GLU 82 N -0.13 0.64 -6.40 0.00 4.57 -1.82 -3.42 114.58 108.02 1ccf h GLU 82 Ca -0.14 -0.26 -0.55 0.00 -1.18 0.00 0.00 59.36 57.23 1ccf h GLU 82 Cb 1.10 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1ccf h GLU 82 CO 0.16 0.84 -0.05 -0.06 -1.18 0.00 0.00 179.01 178.72 1ccf s PHE 83 N -4.50 3.57 -0.11 0.92 0.08 -1.24 -4.96 117.98 111.75 1ccf s PHE 83 Ca -0.08 1.09 0.01 0.00 0.12 0.00 0.00 56.93 58.06 1ccf s PHE 83 Cb 0.13 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 1ccf s PHE 83 CO 0.82 0.37 -0.12 -1.54 -0.10 0.00 0.00 175.22 174.65 1ccf s SER 84 N -1.83 4.13 -0.45 1.36 1.04 -1.26 -1.78 113.70 114.91 1ccf s SER 84 Ca 0.41 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ccf s SER 84 Cb -0.14 -1.40 0.39 0.00 0.10 0.00 0.00 66.02 64.97 1ccf s SER 84 CO 0.20 0.23 1.92 0.35 0.98 0.00 0.00 173.24 176.91 1ccf n THR 85 N 3.12 3.05 1.59 2.02 -2.24 -0.68 -4.99 114.28 116.14 1ccf n THR 85 Ca -0.18 -2.04 0.13 0.00 -2.27 0.00 0.00 64.05 59.69 1ccf n THR 85 Cb 0.53 -1.04 0.75 0.00 -2.10 0.00 0.00 70.33 68.47 1ccf n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04