#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 2.37 0.00 3.14 1.01 -1.26 -5.03 116.67 116.89 1ccf s ASP 46 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.37 1ccf s ASP 46 Cb 0.00 0.15 0.00 0.00 1.01 0.00 0.00 42.92 44.08 1ccf s ASP 46 CO 0.00 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1ccf n GLY 47 N 5.29 1.50 3.36 0.21 0.00 -1.26 -5.00 105.19 109.29 1ccf n GLY 47 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 4.13 0.00 1.61 1.01 -1.26 -4.97 116.67 116.20 1ccf s ASP 48 Ca 0.00 -0.33 0.25 0.00 0.71 0.00 0.00 52.55 53.18 1ccf s ASP 48 Cb 0.00 -1.66 0.54 0.00 1.01 0.00 0.00 42.92 42.81 1ccf s ASP 48 CO 0.00 0.12 1.44 0.00 0.21 0.00 0.00 175.17 176.93 1ccf n GLN 49 N 3.87 0.06 -0.01 8.23 3.00 -1.26 -3.86 117.38 127.41 1ccf n GLN 49 Ca -0.18 -0.04 0.02 0.00 -0.01 0.00 0.00 57.00 56.79 1ccf n GLN 49 Cb 0.52 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.29 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 0.18 0.75 -0.03 0.00 4.07 -1.25 -2.40 120.64 121.96 1ccf n GLU 51 Ca 0.03 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.17 1ccf n GLU 51 Cb 0.15 -1.37 0.05 0.00 -0.06 0.00 0.00 31.44 30.21 1ccf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ccf n GLY 52 N 0.14 3.69 3.34 8.31 0.00 -1.26 -5.03 105.19 114.38 1ccf n GLY 52 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.83 -2.72 0.04 1.61 8.25 -1.01 -4.92 115.22 115.63 1ccf n HIS 53 Ca 0.06 1.09 -0.21 0.00 -0.26 0.00 0.00 57.72 58.40 1ccf n HIS 53 Cb 0.40 -3.26 -0.14 0.00 1.12 0.00 0.00 29.99 28.11 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 0.78 0.29 -6.67 -0.41 0.10 -1.91 -3.45 132.00 120.74 1ccf h PRO 54 Ca -0.31 -0.50 -0.50 0.00 0.10 0.00 0.00 66.00 64.79 1ccf h PRO 54 Cb 1.20 0.18 -0.03 0.00 0.10 0.00 0.00 31.00 32.46 1ccf h PRO 54 CO 0.29 1.24 0.12 0.00 0.10 0.00 0.00 178.00 179.75 1ccf s LEU 56 N -2.52 2.98 -0.51 0.00 1.43 0.18 -4.26 118.68 115.98 1ccf s LEU 56 Ca 0.49 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1ccf s LEU 56 Cb -0.13 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1ccf s LEU 56 CO 0.19 -1.75 0.29 0.59 0.23 0.00 0.00 176.35 175.90 1ccf n ASN 57 N -2.66 -1.79 -3.49 2.29 3.02 -1.26 -1.35 115.26 110.02 1ccf n ASN 57 Ca 0.16 -0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 1ccf n ASN 57 Cb 0.61 -0.68 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.62 -2.33 -2.02 3.52 6.02 -1.26 -4.94 117.38 113.76 1ccf n GLN 58 Ca -0.06 0.67 -0.28 0.00 -0.01 0.00 0.00 57.00 57.32 1ccf n GLN 58 Cb 0.25 -5.05 0.09 0.00 1.02 0.00 0.00 30.24 26.55 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ccf s GLY 59 N -3.58 1.65 -0.83 1.08 0.00 -0.46 -4.61 107.32 100.57 1ccf s GLY 59 Ca 0.39 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 1ccf s GLY 59 CO 0.80 -0.33 1.06 -1.58 0.00 0.00 0.00 173.10 173.05 1ccf s HIS 60 N -3.50 2.97 -0.44 1.90 2.46 0.21 -4.93 115.29 113.96 1ccf s HIS 60 Ca 0.63 -1.11 -0.18 0.00 0.47 0.00 0.00 55.06 54.87 1ccf s HIS 60 Cb -0.10 -4.28 0.03 0.00 -0.13 0.00 0.00 32.58 28.10 1ccf s HIS 60 CO 0.48 -1.54 0.51 0.00 -2.47 0.00 0.00 174.74 171.72 1ccf n LYS 62 N 5.80 2.11 0.00 0.00 4.81 -0.68 -5.00 118.16 125.21 1ccf n LYS 62 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ccf n LYS 62 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1ccf n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ccf n GLY 64 N 5.00 0.51 3.39 3.14 0.00 -0.79 -1.27 105.19 115.18 1ccf n GLY 64 Ca 0.00 0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 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 4.37 0.00 -0.61 5.41 -1.26 -4.66 119.36 122.61 1ccf n ILE 65 Ca 0.00 -4.92 0.00 0.00 1.00 0.00 0.00 62.75 58.83 1ccf n ILE 65 Cb 0.00 -2.49 0.00 0.00 -0.71 0.00 0.00 39.64 36.44 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 3.57 1.90 3.80 7.39 0.00 -1.26 -4.91 105.19 115.69 1ccf n GLY 66 Ca 0.33 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ccf n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ccf s ASP 67 N 0.00 4.48 0.10 1.61 -4.77 -1.26 -4.83 116.67 112.00 1ccf s ASP 67 Ca 0.00 1.35 0.01 0.00 -3.30 0.00 0.00 52.55 50.60 1ccf s ASP 67 Cb 0.00 -2.09 -0.04 0.00 -1.09 0.00 0.00 42.92 39.70 1ccf s ASP 67 CO 0.00 -1.98 -0.03 -0.72 0.70 0.00 0.00 175.17 173.14 1ccf s TYR 68 N -3.13 0.82 -0.05 2.11 1.13 -1.26 -1.88 117.35 115.09 1ccf s TYR 68 Ca 0.61 -1.02 0.06 0.00 -1.41 0.00 0.00 57.07 55.31 1ccf s TYR 68 Cb -0.15 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.20 1ccf s TYR 68 CO 0.54 -0.28 -0.25 0.95 -2.51 0.00 0.00 175.55 174.01 1ccf s THR 69 N -3.77 2.01 -0.22 -3.49 -4.23 -0.39 -4.98 115.64 100.56 1ccf s THR 69 Ca 0.14 -1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1ccf s THR 69 Cb 0.07 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 1ccf s THR 69 CO -0.04 0.56 0.07 0.00 -0.54 0.00 0.00 174.62 174.67 1ccf s THR 71 N 1.12 2.46 0.52 0.00 -4.23 -0.50 -4.96 115.64 110.05 1ccf s THR 71 Ca 0.04 -0.83 -0.20 0.00 -1.18 0.00 0.00 61.69 59.52 1ccf s THR 71 Cb -0.14 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.55 1ccf s THR 71 CO 0.03 0.48 1.10 0.00 -0.54 0.00 0.00 174.62 175.69 1ccf s ALA 73 N -1.84 2.20 -0.60 0.00 0.00 -1.26 -4.81 121.76 115.45 1ccf s ALA 73 Ca 0.70 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1ccf s ALA 73 Cb -0.21 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1ccf s ALA 73 CO 0.24 -1.76 2.22 -2.00 0.00 0.00 0.00 175.76 174.46 1ccf s GLU 74 N -5.11 2.21 0.00 0.00 2.12 -1.26 -1.72 118.70 114.94 1ccf s GLU 74 Ca 0.61 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1ccf s GLU 74 Cb -0.15 -4.60 0.00 0.00 0.26 0.00 0.00 34.13 29.65 1ccf s GLU 74 CO 0.55 -3.30 0.00 0.41 -0.54 0.00 0.00 175.26 172.37 1ccf n GLY 75 N 6.10 1.40 3.55 -1.50 0.00 -1.26 -5.09 105.19 108.38 1ccf n GLY 75 Ca 0.34 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 2.47 0.00 1.61 0.08 -0.70 -0.03 117.98 121.41 1ccf s PHE 76 Ca 0.00 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1ccf s PHE 76 Cb 0.00 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 1ccf s PHE 76 CO 0.00 0.68 0.00 -1.91 -0.10 0.00 0.00 175.22 173.89 1ccf n GLU 77 N -0.74 0.00 -0.54 0.44 0.00 -0.75 -4.48 120.64 114.57 1ccf n GLU 77 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.18 1ccf n GLU 77 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.02 1ccf n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ccf n GLY 78 N 0.00 -1.83 0.41 8.31 0.00 -1.26 0.17 105.19 110.98 1ccf n GLY 78 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.48 -0.40 1.61 1.63 -2.01 -2.97 116.57 113.95 1ccf h LYS 79 Ca 0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1ccf h LYS 79 Cb 0.49 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1ccf h LYS 79 CO 0.00 -0.32 0.00 0.09 -3.45 0.00 0.00 179.45 175.77 1ccf n ASN 80 N -5.09 4.65 -1.75 4.20 3.02 -1.26 -4.84 115.26 114.19 1ccf n ASN 80 Ca -0.05 -2.95 -0.07 0.00 -0.03 0.00 0.00 54.58 51.49 1ccf n ASN 80 Cb 0.33 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.07 0.63 -3.99 0.00 2.13 0.44 -4.37 120.64 113.41 1ccf n GLU 82 Ca -0.06 0.30 -0.32 0.00 0.66 0.00 0.00 57.16 57.73 1ccf n GLU 82 Cb 0.55 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 30.41 1ccf n GLU 82 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ccf s PHE 83 N -2.60 3.40 -0.31 4.31 -0.12 -1.12 -4.87 117.98 116.67 1ccf s PHE 83 Ca -0.05 0.24 -0.15 0.00 -0.05 0.00 0.00 56.93 56.92 1ccf s PHE 83 Cb 0.08 -1.75 -0.03 0.00 -0.63 0.00 0.00 43.02 40.69 1ccf s PHE 83 CO 0.82 0.58 0.35 -1.54 -0.05 0.00 0.00 175.22 175.39 1ccf s SER 84 N -2.08 6.20 -0.34 1.98 1.04 -1.26 -1.81 113.70 117.42 1ccf s SER 84 Ca 0.28 0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1ccf s SER 84 Cb -0.12 -2.20 0.28 0.00 0.10 0.00 0.00 66.02 64.08 1ccf s SER 84 CO 0.20 -0.25 1.89 0.35 0.98 0.00 0.00 173.24 176.40 1ccf n THR 85 N 5.18 2.74 -1.82 2.02 -2.24 0.95 -5.01 114.28 116.10 1ccf n THR 85 Ca -0.09 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1ccf n THR 85 Cb 0.50 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1ccf n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36