#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apo s ASP 46 N 0.00 -0.22 -0.02 3.14 2.15 -1.26 -5.04 116.67 115.42 1apo s ASP 46 Ca 0.00 0.32 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 1apo s ASP 46 Cb 0.00 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.07 1apo s ASP 46 CO 0.00 -0.23 0.04 0.61 -0.17 0.00 0.00 175.17 175.41 1apo n GLY 47 N 2.25 -3.41 2.47 2.66 0.00 -1.26 -5.00 105.19 102.90 1apo n GLY 47 Ca -0.17 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1apo n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1apo n ASP 48 N 0.35 1.73 -0.21 1.61 8.00 -1.26 -4.84 116.55 121.92 1apo n ASP 48 Ca -0.06 -3.01 0.11 0.00 0.71 0.00 0.00 54.79 52.54 1apo n ASP 48 Cb 0.09 -0.57 0.02 0.00 -0.02 0.00 0.00 41.12 40.65 1apo n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1apo n GLN 49 N 0.03 0.54 -3.18 -1.24 3.00 -1.26 -4.42 117.38 110.85 1apo n GLN 49 Ca 0.20 -0.43 -0.21 0.00 -0.01 0.00 0.00 57.00 56.55 1apo n GLN 49 Cb 0.70 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 29.40 1apo n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1apo n GLU 51 N 0.70 -1.35 0.09 0.00 2.13 -1.26 -4.74 120.64 116.22 1apo n GLU 51 Ca 0.24 -0.35 0.05 0.00 0.66 0.00 0.00 57.16 57.76 1apo n GLU 51 Cb 0.58 -2.11 0.29 0.00 0.27 0.00 0.00 31.44 30.46 1apo n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 52 N 1.02 -0.63 2.99 8.31 0.00 -1.26 -4.24 105.19 111.38 1apo n GLY 52 Ca 0.06 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1apo n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1apo s HIS 53 N -3.21 -0.69 -0.21 1.61 5.65 -1.26 -5.04 115.29 112.14 1apo s HIS 53 Ca -0.01 0.24 0.03 0.00 0.25 0.00 0.00 55.06 55.57 1apo s HIS 53 Cb 0.03 0.12 -0.21 0.00 -1.18 0.00 0.00 32.58 31.35 1apo s HIS 53 CO 0.10 -0.44 -0.01 -0.35 -0.65 0.00 0.00 174.74 173.39 1apo n PRO 54 N 4.44 0.68 -3.83 2.88 -0.04 -1.26 -4.95 135.00 132.91 1apo n PRO 54 Ca 0.08 0.16 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1apo n PRO 54 Cb 0.60 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1apo n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1apo s LEU 56 N -3.28 1.54 -1.35 0.00 1.43 -0.10 -3.54 118.68 113.39 1apo s LEU 56 Ca 0.36 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.92 1apo s LEU 56 Cb -0.11 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1apo s LEU 56 CO 0.29 -3.47 0.46 -0.46 0.23 0.00 0.00 176.35 173.40 1apo n ASN 57 N -4.31 -1.66 -1.90 2.29 0.23 -1.26 1.00 115.26 109.65 1apo n ASN 57 Ca 0.13 -1.09 -0.11 0.00 -0.53 0.00 0.00 54.58 52.97 1apo n ASN 57 Cb 0.59 -2.69 -0.03 0.00 -2.08 0.00 0.00 39.78 35.57 1apo n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1apo n GLN 58 N -4.48 -1.77 -1.93 -3.83 6.02 -1.26 -4.68 117.38 105.46 1apo n GLN 58 Ca -0.24 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 1apo n GLN 58 Cb 0.65 -5.02 -0.03 0.00 1.02 0.00 0.00 30.24 26.86 1apo n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1apo s GLY 59 N -2.00 1.61 0.90 1.08 0.00 0.28 -4.73 107.32 104.45 1apo s GLY 59 Ca 0.00 1.38 -0.14 0.00 0.00 0.00 0.00 44.72 45.96 1apo s GLY 59 CO 0.00 2.62 1.26 0.30 0.00 0.00 0.00 173.10 177.28 1apo s HIS 60 N 1.04 2.17 -0.09 1.90 3.76 -0.28 -4.23 115.29 119.57 1apo s HIS 60 Ca 0.69 0.50 -0.03 0.00 -0.15 0.00 0.00 55.06 56.07 1apo s HIS 60 Cb -0.44 -3.86 0.04 0.00 1.11 0.00 0.00 32.58 29.43 1apo s HIS 60 CO 0.32 -2.28 0.07 0.00 -0.85 0.00 0.00 174.74 172.00 1apo s LYS 62 N 2.16 4.08 0.58 0.00 2.47 -0.82 -4.87 119.74 123.35 1apo s LYS 62 Ca 0.04 0.47 -0.13 0.00 -1.56 0.00 0.00 55.97 54.78 1apo s LYS 62 Cb -0.13 -3.66 -0.05 0.00 -1.46 0.00 0.00 37.83 32.53 1apo s LYS 62 CO -0.05 -0.41 1.02 0.34 0.16 0.00 0.00 175.35 176.40 1apo s ASP 63 N 1.51 6.29 0.00 1.43 2.15 -1.26 -1.99 116.67 124.80 1apo s ASP 63 Ca 0.25 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1apo s ASP 63 Cb -0.15 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1apo s ASP 63 CO 0.09 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1apo n GLY 64 N -2.14 -2.25 2.32 2.66 0.00 -1.26 -4.95 105.19 99.57 1apo n GLY 64 Ca 0.06 0.79 -0.20 0.00 0.00 0.00 0.00 46.02 46.68 1apo n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1apo n ILE 65 N -0.17 0.00 0.11 -0.61 5.41 -1.26 -4.82 119.36 118.03 1apo n ILE 65 Ca 0.00 -0.35 0.07 0.00 1.00 0.00 0.00 62.75 63.46 1apo n ILE 65 Cb 0.00 -1.21 0.37 0.00 -0.71 0.00 0.00 39.64 38.08 1apo n ILE 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1apo n GLY 66 N -2.08 -0.70 3.34 7.39 0.00 -1.26 -4.24 105.19 107.63 1apo n GLY 66 Ca 0.10 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1apo n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1apo s ASP 67 N -3.59 3.09 0.10 1.61 -4.77 -1.26 -4.74 116.67 107.10 1apo s ASP 67 Ca -0.01 -0.60 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 1apo s ASP 67 Cb 0.04 -0.27 0.00 0.00 -1.09 0.00 0.00 42.92 41.60 1apo s ASP 67 CO 0.12 0.24 0.00 0.00 0.70 0.00 0.00 175.17 176.23 1apo n TYR 68 N 1.71 -0.49 -3.84 2.11 4.11 -1.26 -4.46 117.16 115.05 1apo n TYR 68 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.60 1apo n TYR 68 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.72 1apo n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1apo s THR 69 N 0.36 -0.02 0.19 -3.48 -4.23 -0.84 -4.94 115.64 102.68 1apo s THR 69 Ca 0.00 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1apo s THR 69 Cb 0.00 -0.04 -0.08 0.00 1.34 0.00 0.00 72.50 73.72 1apo s THR 69 CO 0.00 0.03 1.01 0.00 -0.54 0.00 0.00 174.62 175.11 1apo s THR 71 N -0.57 2.04 0.15 0.00 2.01 -0.47 -4.95 115.64 113.85 1apo s THR 71 Ca 0.45 -1.23 -0.25 0.00 0.31 0.00 0.00 61.69 60.98 1apo s THR 71 Cb -0.27 -2.00 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 1apo s THR 71 CO 0.33 0.26 0.76 0.00 -0.69 0.00 0.00 174.62 175.28 1apo s ALA 73 N -1.09 0.22 -0.07 0.00 0.00 -1.26 -4.75 121.76 114.81 1apo s ALA 73 Ca 0.35 -0.19 -0.33 0.00 0.00 0.00 0.00 51.96 51.79 1apo s ALA 73 Cb -0.23 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1apo s ALA 73 CO 0.26 -3.37 1.91 -1.91 0.00 0.00 0.00 175.76 172.65 1apo n GLU 74 N -4.57 2.32 -0.10 0.00 2.13 -1.26 -1.26 120.64 117.89 1apo n GLU 74 Ca 0.04 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1apo n GLU 74 Cb 0.55 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1apo n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 75 N 4.45 1.27 3.15 8.31 0.00 -1.26 -5.08 105.19 116.03 1apo n GLY 75 Ca 0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1apo n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1apo s PHE 76 N -2.00 -0.04 0.00 1.61 0.08 -0.39 -3.64 117.98 113.60 1apo s PHE 76 Ca 0.00 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1apo s PHE 76 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.45 1apo s PHE 76 CO 0.00 -0.32 0.00 -0.85 -0.10 0.00 0.00 175.22 173.95 1apo n GLU 77 N 1.43 0.00 0.00 0.44 0.28 0.47 -4.63 120.64 118.63 1apo n GLU 77 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1apo n GLU 77 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1apo n GLY 78 N 0.00 -0.87 0.37 -1.84 0.00 -1.26 0.64 105.19 102.23 1apo n GLY 78 Ca 0.00 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1apo n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1apo h LYS 79 N 0.00 0.71 -0.89 1.61 1.63 -2.00 -0.01 116.57 117.62 1apo h LYS 79 Ca 0.00 -0.04 -0.46 0.00 -0.85 0.00 0.00 60.65 59.30 1apo h LYS 79 Cb 0.00 -0.16 -0.27 0.00 -0.60 0.00 0.00 32.23 31.20 1apo h LYS 79 CO 0.00 0.47 0.53 0.09 -3.45 0.00 0.00 179.45 177.09 1apo n ASN 80 N -4.55 3.54 -1.89 4.20 3.02 -1.26 -4.74 115.26 113.58 1apo n ASN 80 Ca 0.16 -3.64 -0.11 0.00 -0.03 0.00 0.00 54.58 50.96 1apo n ASN 80 Cb 0.42 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1apo n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1apo h GLU 82 N 0.00 -0.50 -6.16 0.00 4.57 1.93 -2.78 114.58 111.64 1apo h GLU 82 Ca -0.25 0.03 -0.58 0.00 -1.18 0.00 0.00 59.36 57.38 1apo h GLU 82 Cb 0.97 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 1apo h GLU 82 CO 0.33 -0.34 -0.07 -0.59 -1.18 0.00 0.00 179.01 177.17 1apo s PHE 83 N -6.04 3.77 -1.26 0.92 -0.12 0.40 -4.42 117.98 111.23 1apo s PHE 83 Ca -0.16 1.20 -0.07 0.00 -0.05 0.00 0.00 56.93 57.85 1apo s PHE 83 Cb 0.08 -2.47 0.02 0.00 -0.63 0.00 0.00 43.02 40.01 1apo s PHE 83 CO 0.65 0.56 2.70 0.45 -0.05 0.00 0.00 175.22 179.53 1apo n SER 84 N 1.91 7.99 -2.02 1.98 2.88 -1.26 0.18 113.62 125.29 1apo n SER 84 Ca -0.11 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1apo n SER 84 Cb 0.51 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1apo n SER 84 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1apo n THR 85 N 2.32 0.00 -1.90 2.46 -2.24 -1.24 -4.81 114.28 108.88 1apo n THR 85 Ca 0.66 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.44 1apo n THR 85 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1apo n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04