#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccf n ASP 46 N 0.00 5.41 0.00 4.39 8.00 -1.26 -4.91 116.55 128.18 1ccf n ASP 46 Ca 0.00 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.14 1ccf n ASP 46 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1ccf n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ccf n GLY 47 N 1.41 -0.21 3.52 0.44 0.00 -1.26 -4.79 105.19 104.30 1ccf n GLY 47 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.43 4.98 0.00 1.61 1.01 -1.26 -4.94 116.67 116.63 1ccf s ASP 48 Ca 0.00 -0.09 0.22 0.00 0.71 0.00 0.00 52.55 53.38 1ccf s ASP 48 Cb 0.00 -1.83 -0.08 0.00 1.01 0.00 0.00 42.92 42.02 1ccf s ASP 48 CO 0.00 0.16 1.00 0.00 0.21 0.00 0.00 175.17 176.54 1ccf n GLN 49 N 3.63 0.00 -0.15 8.23 3.00 -1.26 -4.28 117.38 126.54 1ccf n GLN 49 Ca -0.17 -0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 1ccf n GLN 49 Cb 0.52 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 29.39 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 0.17 0.76 -0.95 0.00 2.13 -1.26 -2.70 120.64 118.79 1ccf n GLU 51 Ca 0.10 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.96 1ccf n GLU 51 Cb 0.42 -1.35 0.09 0.00 0.27 0.00 0.00 31.44 30.87 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 0.13 2.64 3.38 8.31 0.00 -1.26 -5.03 105.19 113.35 1ccf n GLY 52 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.27 -2.69 0.09 1.61 8.25 -1.10 -4.91 115.22 116.21 1ccf n HIS 53 Ca 0.10 1.08 -0.15 0.00 -0.26 0.00 0.00 57.72 58.49 1ccf n HIS 53 Cb 0.90 -3.13 -0.10 0.00 1.12 0.00 0.00 29.99 28.77 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 0.83 0.33 -6.50 -0.41 0.13 -1.90 -3.44 132.00 121.04 1ccf h PRO 54 Ca -0.35 -0.47 -0.53 0.00 -0.87 0.00 0.00 66.00 63.79 1ccf h PRO 54 Cb 1.23 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1ccf h PRO 54 CO 0.29 1.18 -0.04 0.00 -0.23 0.00 0.00 178.00 179.20 1ccf s LEU 56 N -2.65 3.33 -0.63 0.00 1.43 0.45 -4.51 118.68 116.10 1ccf s LEU 56 Ca 0.47 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1ccf s LEU 56 Cb -0.12 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1ccf s LEU 56 CO 0.20 -1.05 0.44 0.59 0.23 0.00 0.00 176.35 176.76 1ccf n ASN 57 N -2.01 -3.34 -4.02 2.29 3.02 -1.26 -0.92 115.26 109.01 1ccf n ASN 57 Ca 0.11 -0.74 -0.31 0.00 -0.03 0.00 0.00 54.58 53.61 1ccf n ASN 57 Cb 0.61 -1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.30 -0.70 -1.37 3.52 10.64 -1.26 -4.88 117.38 121.03 1ccf n GLN 58 Ca -0.21 0.02 -0.30 0.00 -1.83 0.00 0.00 57.00 54.68 1ccf n GLN 58 Cb 0.49 -2.50 0.22 0.00 -0.86 0.00 0.00 30.24 27.59 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1ccf s GLY 59 N -4.00 1.65 0.01 2.61 0.00 -0.10 -4.61 107.32 102.88 1ccf s GLY 59 Ca 0.17 -1.05 -0.19 0.00 0.00 0.00 0.00 44.72 43.65 1ccf s GLY 59 CO 0.82 -0.20 0.55 -1.58 0.00 0.00 0.00 173.10 172.70 1ccf s HIS 60 N -3.31 3.72 -0.04 1.90 2.46 0.54 -4.90 115.29 115.66 1ccf s HIS 60 Ca 0.72 1.17 0.00 0.00 0.47 0.00 0.00 55.06 57.43 1ccf s HIS 60 Cb -0.07 -2.52 0.03 0.00 -0.13 0.00 0.00 32.58 29.88 1ccf s HIS 60 CO 0.55 0.46 -0.01 0.00 -2.47 0.00 0.00 174.74 173.27 1ccf n LYS 62 N 4.19 0.00 0.00 0.00 4.76 -0.87 -5.03 118.16 121.21 1ccf n LYS 62 Ca -0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 1ccf n LYS 62 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1ccf n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ccf n GLY 64 N 0.00 -1.98 2.75 0.72 0.00 -1.26 -1.45 105.19 103.96 1ccf n GLY 64 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.49 1ccf n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ccf n ILE 65 N 0.00 3.42 0.00 -0.61 5.41 -1.26 -4.89 119.36 121.43 1ccf n ILE 65 Ca 0.00 -5.29 0.00 0.00 1.00 0.00 0.00 62.75 58.46 1ccf n ILE 65 Cb 0.00 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1ccf n ILE 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ccf n GLY 66 N -0.33 2.27 0.00 7.39 0.00 -1.26 -4.58 105.19 108.68 1ccf n GLY 66 Ca 0.39 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1ccf n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ccf n ASP 67 N 3.41 0.00 -0.05 1.61 8.00 -1.26 -4.81 116.55 123.45 1ccf n ASP 67 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1ccf n ASP 67 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ccf n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ccf n TYR 68 N -0.81 0.00 -3.94 1.24 4.11 -1.26 -4.86 117.16 111.63 1ccf n TYR 68 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.94 1ccf n TYR 68 Cb 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.28 1ccf n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1ccf s THR 69 N -1.17 0.09 -0.11 -3.48 -4.23 -0.53 -4.77 115.64 101.44 1ccf s THR 69 Ca 0.00 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1ccf s THR 69 Cb 0.00 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 73.69 1ccf s THR 69 CO 0.00 -0.28 -0.04 0.00 -0.54 0.00 0.00 174.62 173.75 1ccf s THR 71 N 1.79 4.11 0.07 0.00 -4.23 0.31 -4.94 115.64 112.74 1ccf s THR 71 Ca 0.04 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1ccf s THR 71 Cb -0.13 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 1ccf s THR 71 CO -0.07 -0.04 0.27 0.00 -0.54 0.00 0.00 174.62 174.24 1ccf s ALA 73 N -1.50 1.93 -0.50 0.00 0.00 -1.26 -4.80 121.76 115.64 1ccf s ALA 73 Ca 0.35 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.02 1ccf s ALA 73 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1ccf s ALA 73 CO 0.24 -2.01 2.06 -2.00 0.00 0.00 0.00 175.76 174.04 1ccf s GLU 74 N -4.99 2.60 0.00 0.00 2.56 -1.26 -1.69 118.70 115.92 1ccf s GLU 74 Ca 0.62 1.10 0.00 0.00 0.00 0.00 0.00 54.97 56.69 1ccf s GLU 74 Cb -0.17 -4.42 0.00 0.00 2.00 0.00 0.00 34.13 31.54 1ccf s GLU 74 CO 0.56 -2.73 0.00 0.41 -0.56 0.00 0.00 175.26 172.93 1ccf n GLY 75 N 5.76 2.79 3.80 -1.50 0.00 -1.26 -5.12 105.19 109.65 1ccf n GLY 75 Ca 0.27 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 3.13 -0.07 1.61 0.08 -0.68 -1.57 117.98 120.48 1ccf s PHE 76 Ca 0.00 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.92 1ccf s PHE 76 Cb 0.00 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1ccf s PHE 76 CO 0.00 0.52 0.23 -1.83 -0.10 0.00 0.00 175.22 174.04 1ccf s GLU 77 N -3.25 0.36 0.00 0.44 -1.05 -0.30 -4.46 118.70 110.44 1ccf s GLU 77 Ca 0.31 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1ccf s GLU 77 Cb -0.10 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1ccf s GLU 77 CO 0.24 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.79 1ccf n GLY 78 N 2.50 3.56 0.37 -3.83 0.00 -1.26 -2.44 105.19 104.09 1ccf n GLY 78 Ca -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.07 -0.36 1.61 1.63 -1.99 -1.00 116.57 116.38 1ccf h LYS 79 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ccf h LYS 79 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1ccf h LYS 79 CO 0.00 -0.05 0.00 0.09 -3.45 0.00 0.00 179.45 176.04 1ccf n ASN 80 N -5.45 3.56 -0.78 4.20 3.02 -1.26 -4.91 115.26 113.64 1ccf n ASN 80 Ca 0.07 -2.44 -0.08 0.00 -0.03 0.00 0.00 54.58 52.10 1ccf n ASN 80 Cb 0.38 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.00 0.03 -6.41 0.00 4.81 -1.82 -3.40 114.58 107.80 1ccf h GLU 82 Ca -0.18 -0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.48 1ccf h GLU 82 Cb 0.85 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1ccf h GLU 82 CO 0.24 0.61 -0.01 -0.06 -0.73 0.00 0.00 179.01 179.06 1ccf s PHE 83 N -3.71 3.64 0.10 0.92 0.08 -1.02 -4.96 117.98 113.03 1ccf s PHE 83 Ca -0.02 1.21 0.06 0.00 0.12 0.00 0.00 56.93 58.30 1ccf s PHE 83 Cb 0.13 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1ccf s PHE 83 CO 0.76 0.41 -0.06 -1.54 -0.10 0.00 0.00 175.22 174.69 1ccf s SER 84 N -1.63 4.64 -0.22 1.36 1.04 -1.26 -1.15 113.70 116.49 1ccf s SER 84 Ca 0.39 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.51 1ccf s SER 84 Cb -0.16 -0.98 0.17 0.00 0.10 0.00 0.00 66.02 65.15 1ccf s SER 84 CO 0.20 0.17 1.89 0.35 0.98 0.00 0.00 173.24 176.83 1ccf n THR 85 N 0.63 2.42 1.95 2.02 -2.24 -0.61 -4.93 114.28 113.53 1ccf n THR 85 Ca -0.12 -1.22 0.16 0.00 -2.27 0.00 0.00 64.05 60.60 1ccf n THR 85 Cb 0.52 -1.28 0.91 0.00 -2.10 0.00 0.00 70.33 68.38 1ccf n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36