#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 0.48 0.00 4.39 -4.77 -1.26 -5.06 116.67 110.45 1ccf s ASP 46 Ca 0.00 -1.07 0.00 0.00 -3.30 0.00 0.00 52.55 48.18 1ccf s ASP 46 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 42.92 42.05 1ccf s ASP 46 CO 0.00 -0.63 0.00 0.61 0.70 0.00 0.00 175.17 175.85 1ccf n GLY 47 N 0.04 -1.94 2.92 2.12 0.00 -1.26 -5.10 105.19 101.96 1ccf n GLY 47 Ca -0.11 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 0.40 3.46 0.00 1.61 1.11 -1.26 -4.95 116.67 117.04 1ccf s ASP 48 Ca 0.00 -0.98 0.25 0.00 0.18 0.00 0.00 52.55 52.00 1ccf s ASP 48 Cb 0.00 -1.07 0.49 0.00 1.07 0.00 0.00 42.92 43.41 1ccf s ASP 48 CO 0.00 -0.22 1.43 0.00 1.18 0.00 0.00 175.17 177.56 1ccf n GLN 49 N 4.76 2.10 -0.18 8.23 3.00 -1.26 -4.08 117.38 129.95 1ccf n GLN 49 Ca -0.12 -1.60 0.05 0.00 -0.01 0.00 0.00 57.00 55.33 1ccf n GLN 49 Cb 0.46 -1.47 0.08 0.00 0.00 0.00 0.00 30.24 29.30 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 -0.84 0.75 -1.16 0.00 2.13 -1.26 -3.08 120.64 117.19 1ccf n GLU 51 Ca 0.09 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.89 1ccf n GLU 51 Cb 0.60 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 31.16 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 1.01 0.72 3.18 8.31 0.00 -1.26 -5.05 105.19 112.09 1ccf n GLY 52 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1ccf n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ccf n HIS 53 N 0.20 -2.99 0.04 1.61 -0.00 -1.18 -4.91 115.22 107.99 1ccf n HIS 53 Ca -0.12 1.23 -0.16 0.00 0.46 0.00 0.00 57.72 59.13 1ccf n HIS 53 Cb 0.87 -2.85 -0.14 0.00 -0.12 0.00 0.00 29.99 27.75 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ccf h PRO 54 N 2.16 0.21 -6.86 1.57 0.13 -1.93 -3.45 132.00 123.83 1ccf h PRO 54 Ca -0.27 -0.37 -0.47 0.00 -0.87 0.00 0.00 66.00 64.02 1ccf h PRO 54 Cb 1.16 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1ccf h PRO 54 CO 0.20 1.04 0.35 0.00 -0.23 0.00 0.00 178.00 179.37 1ccf s LEU 56 N -1.90 3.24 -0.55 0.00 1.43 0.68 -4.54 118.68 117.03 1ccf s LEU 56 Ca 0.49 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1ccf s LEU 56 Cb -0.21 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1ccf s LEU 56 CO 0.26 -1.05 0.33 0.59 0.23 0.00 0.00 176.35 176.71 1ccf n ASN 57 N -1.97 -2.15 -2.90 2.29 3.02 -1.26 -2.95 115.26 109.34 1ccf n ASN 57 Ca 0.09 -0.61 -0.09 0.00 -0.03 0.00 0.00 54.58 53.95 1ccf n ASN 57 Cb 0.61 -0.79 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1ccf n ASN 57 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ccf n GLN 58 N -2.60 -2.56 -4.38 3.52 -0.06 -1.26 -4.86 117.38 105.18 1ccf n GLN 58 Ca -0.09 2.18 -0.20 0.00 -2.00 0.00 0.00 57.00 56.90 1ccf n GLN 58 Cb 0.30 -4.99 -0.10 0.00 -4.06 0.00 0.00 30.24 21.39 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1ccf s GLY 59 N -2.13 1.59 0.33 1.69 0.00 -1.15 -3.99 107.32 103.65 1ccf s GLY 59 Ca 0.18 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 1ccf s GLY 59 CO 0.75 -1.80 0.61 -1.58 0.00 0.00 0.00 173.10 171.07 1ccf s HIS 60 N -2.94 3.48 -0.07 1.90 2.46 0.23 -4.88 115.29 115.47 1ccf s HIS 60 Ca 0.25 0.70 0.01 0.00 0.47 0.00 0.00 55.06 56.49 1ccf s HIS 60 Cb 0.00 -2.16 0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1ccf s HIS 60 CO 0.09 0.09 -0.07 0.00 -2.47 0.00 0.00 174.74 172.38 1ccf n LYS 62 N 4.27 0.57 0.00 0.00 0.00 -0.86 -4.99 118.16 117.15 1ccf n LYS 62 Ca -0.20 -3.57 0.00 0.00 0.00 0.00 0.00 58.31 54.54 1ccf n LYS 62 Cb 0.51 1.92 0.00 0.00 0.00 0.00 0.00 35.03 37.46 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 -0.92 -1.64 2.77 3.14 0.00 -1.26 -2.41 105.19 104.87 1ccf n GLY 64 Ca -0.06 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 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 4.45 0.00 -0.61 5.41 -1.26 -4.87 119.36 122.48 1ccf n ILE 65 Ca 0.00 -5.61 0.00 0.00 1.00 0.00 0.00 62.75 58.14 1ccf n ILE 65 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 -0.21 2.13 0.20 7.39 0.00 -1.26 -4.48 105.19 108.97 1ccf n GLY 66 Ca 0.41 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1ccf n GLY 66 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ccf h ASP 67 N 0.00 0.00 -2.43 1.61 2.03 -1.95 -3.45 116.42 112.23 1ccf h ASP 67 Ca 0.00 -0.00 0.21 0.00 -0.73 0.00 0.00 57.03 56.51 1ccf h ASP 67 Cb 0.00 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.40 1ccf h ASP 67 CO 0.00 0.00 -0.61 0.00 -1.03 0.00 0.00 179.24 177.60 1ccf n TYR 68 N -2.99 -2.22 -3.75 4.15 4.11 -1.26 -4.92 117.16 110.28 1ccf n TYR 68 Ca 0.04 1.19 -0.15 0.00 -0.00 0.00 0.00 57.90 58.98 1ccf n TYR 68 Cb 0.52 -2.02 -0.15 0.00 -0.00 0.00 0.00 39.34 37.69 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 -3.68 -0.06 -0.22 -3.48 -4.23 -1.01 -4.93 115.64 98.02 1ccf s THR 69 Ca 0.00 0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1ccf s THR 69 Cb 0.00 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 1ccf s THR 69 CO 0.00 0.09 0.13 0.00 -0.54 0.00 0.00 174.62 174.30 1ccf s THR 71 N 0.74 5.14 0.19 0.00 -4.23 -0.17 -4.89 115.64 112.42 1ccf s THR 71 Ca 0.07 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1ccf s THR 71 Cb -0.13 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1ccf s THR 71 CO 0.02 0.03 0.33 0.00 -0.54 0.00 0.00 174.62 174.45 1ccf s ALA 73 N -1.85 2.08 -0.45 0.00 0.00 -1.26 -4.81 121.76 115.48 1ccf s ALA 73 Ca 0.35 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 1ccf s ALA 73 Cb -0.10 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1ccf s ALA 73 CO 0.29 -1.88 2.20 -2.00 0.00 0.00 0.00 175.76 174.38 1ccf s GLU 74 N -5.09 2.52 0.00 0.00 2.12 -1.26 -1.88 118.70 115.12 1ccf s GLU 74 Ca 0.61 1.38 0.00 0.00 0.36 0.00 0.00 54.97 57.32 1ccf s GLU 74 Cb -0.15 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.77 1ccf s GLU 74 CO 0.55 -2.81 0.00 0.41 -0.54 0.00 0.00 175.26 172.87 1ccf n GLY 75 N 5.84 2.04 3.75 -1.50 0.00 -1.26 -5.11 105.19 108.95 1ccf n GLY 75 Ca 0.31 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 2.75 -0.29 1.61 0.40 -0.79 -1.69 117.98 119.97 1ccf s PHE 76 Ca 0.00 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1ccf s PHE 76 Cb 0.00 -1.61 0.14 0.00 0.51 0.00 0.00 43.02 42.05 1ccf s PHE 76 CO 0.00 0.35 0.62 -2.00 0.70 0.00 0.00 175.22 174.89 1ccf s GLU 77 N -3.85 0.56 0.00 0.44 2.12 -0.85 -4.59 118.70 112.52 1ccf s GLU 77 Ca 0.37 1.36 0.00 0.00 0.36 0.00 0.00 54.97 57.06 1ccf s GLU 77 Cb -0.04 0.78 0.00 0.00 0.26 0.00 0.00 34.13 35.14 1ccf s GLU 77 CO 0.23 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1ccf n GLY 78 N 5.44 1.17 0.38 -1.50 0.00 -1.26 -3.82 105.19 105.60 1ccf n GLY 78 Ca -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.03 -0.30 1.61 3.64 -2.00 0.35 116.57 119.84 1ccf h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ccf h LYS 79 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ccf h LYS 79 CO 0.00 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.25 1ccf n ASN 80 N -5.45 3.50 -0.68 4.20 3.02 -1.26 -4.62 115.26 113.98 1ccf n ASN 80 Ca 0.08 -2.59 -0.06 0.00 -0.03 0.00 0.00 54.58 51.98 1ccf n ASN 80 Cb 0.38 -0.42 -0.01 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 0.14 -6.42 0.00 4.57 -1.81 -3.42 114.58 107.64 1ccf h GLU 82 Ca -0.15 -0.08 -0.54 0.00 -1.18 0.00 0.00 59.36 57.41 1ccf h GLU 82 Cb 0.99 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1ccf h GLU 82 CO 0.18 0.60 -0.07 -0.06 -1.18 0.00 0.00 179.01 178.48 1ccf s PHE 83 N -3.95 3.51 -0.27 0.92 0.08 -1.25 -4.98 117.98 112.04 1ccf s PHE 83 Ca -0.03 1.02 -0.05 0.00 0.12 0.00 0.00 56.93 57.98 1ccf s PHE 83 Cb 0.13 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1ccf s PHE 83 CO 0.77 0.33 0.03 -1.54 -0.10 0.00 0.00 175.22 174.70 1ccf s SER 84 N -2.03 4.83 -0.45 1.36 1.04 -1.26 -2.01 113.70 115.19 1ccf s SER 84 Ca 0.44 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 56.19 1ccf s SER 84 Cb -0.13 -1.81 0.51 0.00 0.10 0.00 0.00 66.02 64.69 1ccf s SER 84 CO 0.20 -0.15 1.87 1.07 0.98 0.00 0.00 173.24 177.21 1ccf n THR 85 N 4.81 3.07 1.93 2.02 5.66 -0.68 -5.00 114.28 126.09 1ccf n THR 85 Ca -0.15 -1.96 0.16 0.00 -3.05 0.00 0.00 64.05 59.04 1ccf n THR 85 Cb 0.48 -0.77 0.89 0.00 -1.55 0.00 0.00 70.33 69.38 1ccf n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56