#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 5.95 1.03 -5.58 1.01 -1.26 -5.09 116.67 112.74 1ccf s ASP 46 Ca 0.00 0.11 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 1ccf s ASP 46 Cb 0.00 -1.72 0.09 0.00 1.01 0.00 0.00 42.92 42.30 1ccf s ASP 46 CO 0.00 0.15 0.46 0.61 0.21 0.00 0.00 175.17 176.60 1ccf n GLY 47 N 0.19 -1.66 3.76 0.21 0.00 -1.26 -4.98 105.19 101.46 1ccf n GLY 47 Ca -0.07 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.72 7.02 -0.01 1.61 1.01 -1.26 -4.90 116.67 117.42 1ccf s ASP 48 Ca 0.27 1.22 0.03 0.00 0.71 0.00 0.00 52.55 54.78 1ccf s ASP 48 Cb -0.01 -2.38 0.11 0.00 1.01 0.00 0.00 42.92 41.64 1ccf s ASP 48 CO 0.19 0.08 0.93 0.00 0.21 0.00 0.00 175.17 176.59 1ccf n GLN 49 N 2.75 1.39 -0.78 8.23 1.13 -1.26 -3.39 117.38 125.45 1ccf n GLN 49 Ca -0.06 -0.43 0.01 0.00 -1.94 0.00 0.00 57.00 54.58 1ccf n GLN 49 Cb 0.51 -1.29 0.01 0.00 0.11 0.00 0.00 30.24 29.57 1ccf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ccf n GLU 51 N 0.14 0.69 -0.97 0.00 1.02 -1.22 -2.88 120.64 117.42 1ccf n GLU 51 Ca 0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1ccf n GLU 51 Cb 0.82 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 31.05 1ccf n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ccf n GLY 52 N 0.68 0.67 3.46 0.62 0.00 -1.26 -5.05 105.19 104.30 1ccf n GLY 52 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 0.08 -2.51 0.09 1.61 8.25 -1.14 -4.86 115.22 116.74 1ccf n HIS 53 Ca -0.17 1.00 -0.07 0.00 -0.26 0.00 0.00 57.72 58.23 1ccf n HIS 53 Cb 0.74 -3.24 -0.02 0.00 1.12 0.00 0.00 29.99 28.59 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ccf h PRO 54 N 0.30 0.08 -7.09 -0.41 0.13 -1.91 -3.44 132.00 119.65 1ccf h PRO 54 Ca -0.37 -0.09 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 1ccf h PRO 54 Cb 1.24 0.03 0.04 0.00 0.13 0.00 0.00 31.00 32.43 1ccf h PRO 54 CO 0.32 0.91 0.24 0.00 -0.23 0.00 0.00 178.00 179.24 1ccf s LEU 56 N -4.69 3.69 -0.77 0.00 1.43 0.18 -4.49 118.68 114.03 1ccf s LEU 56 Ca 0.52 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1ccf s LEU 56 Cb -0.10 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1ccf s LEU 56 CO 0.45 -0.40 0.46 0.59 0.23 0.00 0.00 176.35 177.68 1ccf n ASN 57 N -1.47 -3.10 -3.53 2.29 3.02 -1.26 -1.87 115.26 109.34 1ccf n ASN 57 Ca -0.01 -0.85 -0.25 0.00 -0.03 0.00 0.00 54.58 53.44 1ccf n ASN 57 Cb 0.59 -1.13 0.05 0.00 -0.61 0.00 0.00 39.78 38.69 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 -3.22 -1.93 -1.97 3.52 1.13 -1.26 -4.80 117.38 108.85 1ccf n GLN 58 Ca -0.14 0.62 -0.28 0.00 -1.94 0.00 0.00 57.00 55.26 1ccf n GLN 58 Cb 0.44 -4.83 0.09 0.00 0.11 0.00 0.00 30.24 26.05 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ccf s GLY 59 N -3.52 1.63 -0.50 1.08 0.00 -0.78 -4.28 107.32 100.94 1ccf s GLY 59 Ca 0.43 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 1ccf s GLY 59 CO 0.81 -0.26 0.52 -1.58 0.00 0.00 0.00 173.10 172.59 1ccf s HIS 60 N -3.53 3.14 -0.29 1.90 2.46 0.25 -4.91 115.29 114.32 1ccf s HIS 60 Ca 0.63 -0.76 -0.16 0.00 0.47 0.00 0.00 55.06 55.24 1ccf s HIS 60 Cb -0.10 -3.39 -0.03 0.00 -0.13 0.00 0.00 32.58 28.92 1ccf s HIS 60 CO 0.48 -0.93 0.41 0.00 -2.47 0.00 0.00 174.74 172.23 1ccf n LYS 62 N 5.42 2.69 0.00 0.00 0.00 -0.82 -5.03 118.16 120.42 1ccf n LYS 62 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 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 5.00 3.58 3.30 3.14 0.00 -0.54 -2.41 105.19 117.26 1ccf n GLY 64 Ca 0.00 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 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 1.03 5.11 0.00 -0.61 1.01 -1.26 -4.66 121.20 121.81 1ccf s ILE 65 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1ccf s ILE 65 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1ccf s ILE 65 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.69 1ccf n GLY 66 N 5.21 2.16 3.85 6.18 0.00 -1.26 -4.91 105.19 116.43 1ccf n GLY 66 Ca -0.13 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.13 4.68 0.18 1.61 1.11 -1.26 -4.84 116.67 117.01 1ccf s ASP 67 Ca 0.00 1.09 0.06 0.00 0.18 0.00 0.00 52.55 53.88 1ccf s ASP 67 Cb 0.00 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.17 1ccf s ASP 67 CO 0.00 -1.83 -0.13 -0.72 1.18 0.00 0.00 175.17 173.68 1ccf s TYR 68 N -3.33 1.51 -0.06 4.23 1.13 -1.26 -1.47 117.35 118.10 1ccf s TYR 68 Ca 0.61 -0.65 0.02 0.00 -1.41 0.00 0.00 57.07 55.64 1ccf s TYR 68 Cb -0.13 -0.73 0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1ccf s TYR 68 CO 0.52 0.23 -0.10 0.95 -2.51 0.00 0.00 175.55 174.64 1ccf s THR 69 N -3.06 0.94 -0.09 -3.49 -4.23 -1.01 -4.92 115.64 99.78 1ccf s THR 69 Ca 0.19 -0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 1ccf s THR 69 Cb 0.00 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 1ccf s THR 69 CO 0.04 0.31 -0.01 0.00 -0.54 0.00 0.00 174.62 174.42 1ccf s THR 71 N -0.79 1.62 0.46 0.00 -4.23 0.15 -4.92 115.64 107.93 1ccf s THR 71 Ca 0.12 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 59.73 1ccf s THR 71 Cb -0.11 -1.50 -0.08 0.00 1.34 0.00 0.00 72.50 72.15 1ccf s THR 71 CO 0.02 0.47 1.07 0.00 -0.54 0.00 0.00 174.62 175.64 1ccf s ALA 73 N -1.78 4.22 -0.21 0.00 0.00 -1.26 -4.84 121.76 117.89 1ccf s ALA 73 Ca 0.64 -1.45 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 1ccf s ALA 73 Cb -0.21 -1.74 -0.11 0.00 0.00 0.00 0.00 23.12 21.06 1ccf s ALA 73 CO 0.25 -0.15 2.02 -1.91 0.00 0.00 0.00 175.76 175.97 1ccf n GLU 74 N -1.76 1.70 0.00 0.00 4.07 -1.26 -0.56 120.64 122.82 1ccf n GLU 74 Ca 0.02 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 1ccf n GLU 74 Cb 0.58 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1ccf n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ccf n GLY 75 N 5.27 2.79 3.24 8.31 0.00 -1.26 -5.10 105.19 118.43 1ccf n GLY 75 Ca 0.30 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.10 1.21 -0.27 1.61 0.08 0.27 -1.79 117.98 118.99 1ccf s PHE 76 Ca 0.00 -0.93 -0.22 0.00 0.12 0.00 0.00 56.93 55.90 1ccf s PHE 76 Cb 0.00 -0.68 0.08 0.00 -0.57 0.00 0.00 43.02 41.85 1ccf s PHE 76 CO 0.00 -0.12 0.76 -2.00 -0.10 0.00 0.00 175.22 173.76 1ccf s GLU 77 N -3.86 0.75 0.00 0.44 -6.30 9.54 -4.32 118.70 114.95 1ccf s GLU 77 Ca 0.21 1.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.68 1ccf s GLU 77 Cb 0.05 0.30 0.00 0.00 0.00 0.00 0.00 34.13 34.49 1ccf s GLU 77 CO 0.02 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1ccf n GLY 78 N 3.12 1.18 0.40 -1.50 0.00 -1.26 0.30 105.19 107.43 1ccf n GLY 78 Ca -0.16 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1ccf n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ccf h LYS 79 N 0.00 -0.39 -0.27 1.61 3.64 -1.97 0.11 116.57 119.30 1ccf h LYS 79 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ccf h LYS 79 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1ccf h LYS 79 CO 0.00 -0.26 0.00 0.09 -2.27 0.00 0.00 179.45 177.01 1ccf n ASN 80 N -5.03 2.31 -1.51 4.20 3.02 -1.26 -4.85 115.26 112.15 1ccf n ASN 80 Ca -0.04 -1.84 -0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1ccf n ASN 80 Cb 0.31 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1ccf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ccf n GLU 82 N -0.87 1.86 -3.34 0.00 2.13 -0.41 -4.19 120.64 115.82 1ccf n GLU 82 Ca 0.00 -0.01 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 1ccf n GLU 82 Cb 0.37 -1.33 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 1ccf n GLU 82 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ccf s PHE 83 N -2.32 3.44 0.01 4.31 0.08 0.86 -4.58 117.98 119.78 1ccf s PHE 83 Ca -0.06 0.86 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1ccf s PHE 83 Cb 0.04 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1ccf s PHE 83 CO 0.53 0.21 0.00 -1.13 -0.10 0.00 0.00 175.22 174.73 1ccf n SER 84 N -0.40 -0.65 0.00 1.36 3.41 -1.26 1.19 113.62 117.26 1ccf n SER 84 Ca 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1ccf n SER 84 Cb 0.53 -1.76 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1ccf n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ccf n THR 85 N 1.71 0.00 1.73 6.66 -2.24 -0.74 0.49 114.28 121.89 1ccf n THR 85 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1ccf n THR 85 Cb 0.00 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 68.95 1ccf n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04