#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n SER 6 N 0.00 -2.53 -3.60 4.39 2.88 -1.26 -5.03 113.62 108.46 1d3b n SER 6 Ca 0.00 0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 1d3b n SER 6 Cb 0.00 -0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 62.62 1d3b n SER 6 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1d3b s SER 7 N -2.97 -0.55 0.00 -3.46 1.04 -1.26 -5.13 113.70 101.36 1d3b s SER 7 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1d3b s SER 7 Cb 0.00 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1d3b s SER 7 CO 0.00 -0.30 0.00 0.29 0.98 0.00 0.00 173.24 174.21 1d3b n LYS 8 N 1.81 0.00 0.00 4.02 5.02 -1.26 -4.99 118.16 122.76 1d3b n LYS 8 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1d3b n LYS 8 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1d3b n LYS 8 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1d3b n MET 9 N 0.19 0.35 -0.22 1.97 2.81 -1.26 -4.90 117.12 116.07 1d3b n MET 9 Ca 0.00 -0.02 0.20 0.00 -1.81 0.00 0.00 57.70 56.06 1d3b n MET 9 Cb 0.00 -0.28 0.54 0.00 -0.71 0.00 0.00 33.22 32.77 1d3b n MET 9 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1d3b h LEU 10 N 0.00 0.34 -0.32 4.03 4.07 -2.00 -0.15 115.31 121.27 1d3b h LEU 10 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1d3b h LEU 10 Cb 0.21 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1d3b h LEU 10 CO 0.00 0.14 0.00 0.00 -1.08 0.00 0.00 178.44 177.50 1d3b n GLN 11 N -4.47 1.21 0.00 1.13 6.02 -1.26 -2.72 117.38 117.28 1d3b n GLN 11 Ca 0.18 -0.32 0.09 0.00 -0.01 0.00 0.00 57.00 56.94 1d3b n GLN 11 Cb 0.71 -1.23 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 1d3b n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1d3b n HIS 12 N -0.39 0.00 -1.68 1.08 8.25 -0.07 -4.95 115.22 117.46 1d3b n HIS 12 Ca 0.10 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.13 1d3b n HIS 12 Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1d3b n HIS 12 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1d3b n ILE 13 N -0.87 1.28 0.00 1.59 2.08 -1.10 -1.30 119.36 121.02 1d3b n ILE 13 Ca 0.05 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1d3b n ILE 13 Cb 0.33 -1.51 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 1d3b n ILE 13 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1d3b n ASP 14 N 1.74 0.00 -4.86 4.38 8.00 0.89 -5.01 116.55 121.69 1d3b n ASP 14 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 1d3b n ASP 14 Cb 0.33 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1d3b n ASP 14 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1d3b s TYR 15 N -2.13 3.57 -0.30 1.24 1.51 -0.42 -3.80 117.35 117.02 1d3b s TYR 15 Ca 0.00 1.33 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 1d3b s TYR 15 Cb 0.00 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 1d3b s TYR 15 CO 0.00 -0.57 1.12 1.03 -1.11 0.00 0.00 175.55 176.01 1d3b s ARG 16 N -4.81 4.08 0.02 -0.62 0.52 -0.18 -0.99 118.95 116.97 1d3b s ARG 16 Ca 0.56 1.17 0.06 0.00 -0.52 0.00 0.00 55.73 57.00 1d3b s ARG 16 Cb -0.11 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 1d3b s ARG 16 CO 0.46 -0.89 -0.16 -1.64 0.02 0.00 0.00 175.30 173.10 1d3b s MET 17 N 3.67 2.21 -0.33 3.54 -1.94 -0.12 0.60 119.30 126.93 1d3b s MET 17 Ca 0.47 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1d3b s MET 17 Cb -0.14 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.44 1d3b s MET 17 CO 0.15 0.56 0.17 0.50 -0.01 0.00 0.00 175.02 176.40 1d3b s ARG 18 N -1.34 3.27 -0.27 2.03 3.52 0.84 -2.59 118.95 124.41 1d3b s ARG 18 Ca 0.15 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1d3b s ARG 18 Cb -0.11 -3.63 0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1d3b s ARG 18 CO 0.05 -0.47 -0.05 0.00 -0.81 0.00 0.00 175.30 174.02 1d3b s ILE 20 N 1.26 4.25 0.62 0.00 1.01 0.00 -0.16 121.20 128.19 1d3b s ILE 20 Ca -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1d3b s ILE 20 Cb -0.18 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1d3b s ILE 20 CO -0.04 0.46 0.94 -0.76 0.00 0.00 0.00 174.94 175.55 1d3b s LEU 21 N 0.51 3.12 0.35 2.97 1.43 -0.62 -0.60 118.68 125.84 1d3b s LEU 21 Ca -0.00 0.70 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 1d3b s LEU 21 Cb -0.14 -3.49 0.83 0.00 0.03 0.00 0.00 46.19 43.42 1d3b s LEU 21 CO 0.02 -1.19 1.83 -0.61 0.23 0.00 0.00 176.35 176.62 1d3b h GLN 22 N -0.30 0.66 -0.04 1.70 4.15 -1.29 0.10 115.11 120.09 1d3b h GLN 22 Ca -0.45 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1d3b h GLN 22 Cb 1.27 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1d3b h GLN 22 CO 0.61 0.44 0.00 -0.40 -1.93 0.00 0.00 178.83 177.54 1d3b n ASP 23 N -4.62 0.50 0.00 -0.69 5.68 -1.26 -4.91 116.55 111.24 1d3b n ASP 23 Ca 0.20 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1d3b n ASP 23 Cb 0.55 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1d3b n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d3b n GLY 24 N 0.93 0.42 3.75 6.12 0.00 0.35 -5.04 105.19 111.72 1d3b n GLY 24 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1d3b n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d3b s ARG 25 N -0.90 4.14 -0.24 1.61 0.52 -1.26 -4.74 118.95 118.08 1d3b s ARG 25 Ca 0.00 2.55 -0.05 0.00 -0.52 0.00 0.00 55.73 57.72 1d3b s ARG 25 Cb 0.00 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1d3b s ARG 25 CO 0.00 -0.63 -0.00 0.42 0.02 0.00 0.00 175.30 175.11 1d3b s ILE 26 N 0.17 3.62 -0.27 1.52 1.01 0.78 -1.59 121.20 126.44 1d3b s ILE 26 Ca 0.64 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 1d3b s ILE 26 Cb -0.47 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1d3b s ILE 26 CO 0.45 0.34 0.12 -0.36 0.00 0.00 0.00 174.94 175.49 1d3b s PHE 27 N 1.50 3.14 -0.23 3.97 0.40 0.77 0.05 117.98 127.58 1d3b s PHE 27 Ca 0.05 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1d3b s PHE 27 Cb -0.15 -2.30 0.03 0.00 0.51 0.00 0.00 43.02 41.11 1d3b s PHE 27 CO -0.01 -0.31 -0.13 0.42 0.70 0.00 0.00 175.22 175.90 1d3b s ILE 28 N 1.66 2.39 0.38 0.64 1.01 -0.19 0.10 121.20 127.20 1d3b s ILE 28 Ca 0.06 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 1d3b s ILE 28 Cb -0.16 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1d3b s ILE 28 CO 0.06 0.27 0.65 -0.83 0.00 0.00 0.00 174.94 175.09 1d3b s GLY 29 N 1.25 0.99 -0.37 6.18 0.00 -1.07 -1.22 107.32 113.09 1d3b s GLY 29 Ca -0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 1d3b s GLY 29 CO -0.08 -0.67 0.67 -1.59 0.00 0.00 0.00 173.10 171.44 1d3b s THR 30 N -2.51 4.84 -0.06 0.90 2.01 0.23 -0.94 115.64 120.11 1d3b s THR 30 Ca 0.23 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1d3b s THR 30 Cb -0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1d3b s THR 30 CO 0.17 -0.40 1.55 0.12 -0.69 0.00 0.00 174.62 175.37 1d3b s PHE 31 N 2.83 2.27 0.00 4.92 5.36 -0.17 -0.50 117.98 132.69 1d3b s PHE 31 Ca 0.26 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 1d3b s PHE 31 Cb -0.14 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1d3b s PHE 31 CO 0.16 -3.29 0.00 1.63 -1.46 0.00 0.00 175.22 172.26 1d3b n LYS 32 N 6.73 1.91 -3.52 10.12 4.76 -0.50 -0.08 118.16 137.59 1d3b n LYS 32 Ca 0.16 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.50 1d3b n LYS 32 Cb 0.43 -0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 32.76 1d3b n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1d3b s ALA 33 N -1.59 -1.83 0.20 7.82 0.00 -1.20 -4.93 121.76 120.24 1d3b s ALA 33 Ca 0.00 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1d3b s ALA 33 Cb 0.00 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1d3b s ALA 33 CO 0.00 -0.58 0.50 -0.59 0.00 0.00 0.00 175.76 175.08 1d3b s PHE 34 N -2.56 0.02 0.37 0.00 -0.12 -1.26 -1.40 117.98 113.02 1d3b s PHE 34 Ca 0.02 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.58 1d3b s PHE 34 Cb -0.01 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1d3b s PHE 34 CO -0.05 -0.92 0.21 0.16 -0.05 0.00 0.00 175.22 174.57 1d3b s ASP 35 N -2.91 2.17 0.50 1.98 1.47 -0.89 -4.96 116.67 114.03 1d3b s ASP 35 Ca 0.12 -1.72 0.19 0.00 1.18 0.00 0.00 52.55 52.32 1d3b s ASP 35 Cb -0.01 0.55 1.27 0.00 -0.34 0.00 0.00 42.92 44.40 1d3b s ASP 35 CO -0.00 -1.01 2.09 0.07 0.68 0.00 0.00 175.17 177.00 1d3b h LYS 36 N 1.98 0.00 -0.01 2.11 2.10 -2.03 -0.93 116.57 119.79 1d3b h LYS 36 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1d3b h LYS 36 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1d3b h LYS 36 CO 0.45 0.09 0.00 0.72 -2.00 0.00 0.00 179.45 178.72 1d3b n HIS 37 N -4.22 0.01 -1.00 0.07 8.25 -1.26 -4.88 115.22 112.19 1d3b n HIS 37 Ca -0.03 -0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1d3b n HIS 37 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1d3b n HIS 37 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1d3b n MET 38 N -0.79 -0.01 -2.28 -0.41 2.81 -0.35 -4.19 117.12 111.89 1d3b n MET 38 Ca 0.20 0.18 -0.41 0.00 -1.81 0.00 0.00 57.70 55.86 1d3b n MET 38 Cb 0.12 -3.37 -0.03 0.00 -0.71 0.00 0.00 33.22 29.23 1d3b n MET 38 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1d3b s ASN 39 N -2.35 6.98 0.17 7.83 0.01 -1.26 -3.42 114.94 122.89 1d3b s ASN 39 Ca 0.00 2.36 0.11 0.00 -0.71 0.00 0.00 52.86 54.62 1d3b s ASN 39 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1d3b s ASN 39 CO 0.00 -0.45 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.17 1d3b s LEU 40 N -0.41 2.53 -0.22 0.60 1.43 -0.34 -2.09 118.68 120.19 1d3b s LEU 40 Ca 0.54 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1d3b s LEU 40 Cb -0.35 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1d3b s LEU 40 CO 0.39 0.13 -0.06 -0.63 0.23 0.00 0.00 176.35 176.42 1d3b s ILE 41 N -1.51 3.21 -0.18 -0.59 -1.09 -0.49 -0.71 121.20 119.83 1d3b s ILE 41 Ca 0.20 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1d3b s ILE 41 Cb -0.09 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.35 1d3b s ILE 41 CO 0.10 0.41 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.30 1d3b s LEU 42 N 1.45 2.16 0.33 2.97 1.43 0.24 -1.42 118.68 125.84 1d3b s LEU 42 Ca 0.05 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1d3b s LEU 42 Cb -0.14 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1d3b s LEU 42 CO -0.04 -0.05 0.72 0.00 0.23 0.00 0.00 176.35 177.20 1d3b n ASP 44 N -0.52 -1.53 -4.82 0.00 8.00 -1.06 -0.60 116.55 116.01 1d3b n ASP 44 Ca 0.03 -1.13 -0.37 0.00 0.71 0.00 0.00 54.79 54.02 1d3b n ASP 44 Cb 0.53 -2.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.09 1d3b n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3b s ASP 46 N -0.72 3.69 -0.11 0.00 1.01 -0.35 -0.85 116.67 119.33 1d3b s ASP 46 Ca 0.20 -0.71 0.01 0.00 0.71 0.00 0.00 52.55 52.76 1d3b s ASP 46 Cb -0.15 -0.41 -0.02 0.00 1.01 0.00 0.00 42.92 43.35 1d3b s ASP 46 CO 0.09 0.15 -0.13 -0.70 0.21 0.00 0.00 175.17 174.78 1d3b s GLU 47 N -2.43 3.16 -0.05 8.23 2.12 -0.09 -1.02 118.70 128.62 1d3b s GLU 47 Ca 0.19 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 54.89 1d3b s GLU 47 Cb -0.09 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1d3b s GLU 47 CO 0.10 0.33 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.91 1d3b s PHE 48 N 0.05 2.59 -0.02 5.30 0.40 0.11 -0.40 117.98 126.00 1d3b s PHE 48 Ca -0.05 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1d3b s PHE 48 Cb -0.14 -1.62 -0.00 0.00 0.51 0.00 0.00 43.02 41.77 1d3b s PHE 48 CO 0.04 0.04 -0.11 1.03 0.70 0.00 0.00 175.22 176.93 1d3b s ARG 49 N -0.52 1.05 -0.20 0.44 0.52 -0.08 -0.16 118.95 120.01 1d3b s ARG 49 Ca 0.07 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1d3b s ARG 49 Cb -0.11 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 34.38 1d3b s ARG 49 CO 0.01 0.16 -0.09 0.15 0.02 0.00 0.00 175.30 175.55 1d3b s LYS 50 N 0.07 3.27 -0.18 3.54 1.02 -1.26 -1.07 119.74 125.13 1d3b s LYS 50 Ca -0.01 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1d3b s LYS 50 Cb -0.08 -2.86 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1d3b s LYS 50 CO 0.00 -0.17 -0.13 0.42 -0.92 0.00 0.00 175.35 174.55 1d3b s ILE 51 N 1.35 2.80 -0.49 2.17 1.01 0.14 -4.97 121.20 123.20 1d3b s ILE 51 Ca 0.04 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1d3b s ILE 51 Cb -0.14 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.16 1d3b s ILE 51 CO -0.05 0.49 0.73 -0.75 0.00 0.00 0.00 174.94 175.36 1d3b s LYS 52 N 1.05 3.25 -0.01 2.79 2.20 -1.26 -1.26 119.74 126.49 1d3b s LYS 52 Ca -0.01 -0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 54.88 1d3b s LYS 52 Cb -0.15 -4.03 -0.23 0.00 -1.51 0.00 0.00 37.83 31.92 1d3b s LYS 52 CO -0.03 -1.22 1.09 -1.00 -0.36 0.00 0.00 175.35 173.83 1d3b h PRO 53 N 9.04 0.34 -1.82 4.03 0.13 -1.85 -3.46 132.00 138.40 1d3b h PRO 53 Ca -0.26 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1d3b h PRO 53 Cb 1.09 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1d3b h PRO 53 CO 0.97 1.03 0.00 1.63 -0.23 0.00 0.00 178.00 181.41 1d3b n LYS 54 N -4.32 0.00 0.00 0.86 4.76 -1.26 -4.48 118.16 113.72 1d3b n LYS 54 Ca -0.10 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1d3b n LYS 54 Cb 0.61 0.00 0.83 0.00 -1.84 0.00 0.00 35.03 34.63 1d3b n LYS 54 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1d3b n ASN 55 N 0.27 0.00 0.00 4.39 5.15 -1.26 -4.84 115.26 118.97 1d3b n ASN 55 Ca 0.00 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1d3b n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1d3b n ASN 55 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1d3b n SER 56 N -0.95 0.00 -0.75 1.20 2.88 -1.26 -4.84 113.62 109.91 1d3b n SER 56 Ca 0.21 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.82 1d3b n SER 56 Cb 0.10 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.70 1d3b n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1d3b n LYS 57 N -2.00 2.10 -3.34 -1.46 5.02 -1.26 -4.88 118.16 112.34 1d3b n LYS 57 Ca 0.00 -1.89 -0.38 0.00 -2.02 0.00 0.00 58.31 54.03 1d3b n LYS 57 Cb 0.00 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1d3b n LYS 57 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1d3b s GLN 58 N -1.10 4.31 1.22 1.97 -0.21 -1.26 -5.09 119.66 119.50 1d3b s GLN 58 Ca 0.25 0.43 -0.20 0.00 0.02 0.00 0.00 55.36 55.86 1d3b s GLN 58 Cb 0.15 -3.42 0.30 0.00 1.00 0.00 0.00 33.01 31.03 1d3b s GLN 58 CO 0.20 0.20 1.12 0.00 -2.12 0.00 0.00 175.29 174.69 1d3b s ALA 59 N 0.48 0.62 0.29 6.09 0.00 -1.26 -4.24 121.76 123.74 1d3b s ALA 59 Ca 0.25 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1d3b s ALA 59 Cb -0.15 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 1d3b s ALA 59 CO 0.10 -3.64 1.20 -2.00 0.00 0.00 0.00 175.76 171.42 1d3b s GLU 60 N -5.47 4.51 0.31 0.00 2.12 -1.26 -4.51 118.70 114.39 1d3b s GLU 60 Ca 0.72 1.99 0.09 0.00 0.36 0.00 0.00 54.97 58.13 1d3b s GLU 60 Cb -0.08 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1d3b s GLU 60 CO 0.56 0.02 0.01 -0.98 -0.54 0.00 0.00 175.26 174.32 1d3b s ARG 61 N -1.49 2.16 0.02 4.30 1.70 -0.39 -4.94 118.95 120.31 1d3b s ARG 61 Ca 0.47 -1.60 0.05 0.00 -0.47 0.00 0.00 55.73 54.18 1d3b s ARG 61 Cb -0.35 -2.04 -0.02 0.00 -0.57 0.00 0.00 34.95 31.97 1d3b s ARG 61 CO 0.46 0.24 -0.14 -2.00 -1.08 0.00 0.00 175.30 172.78 1d3b s GLU 62 N -3.70 0.99 -0.04 3.89 2.12 -1.26 -0.69 118.70 120.02 1d3b s GLU 62 Ca 0.33 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 55.08 1d3b s GLU 62 Cb -0.03 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.37 1d3b s GLU 62 CO 0.20 0.25 -0.21 -1.21 -0.54 0.00 0.00 175.26 173.75 1d3b s GLU 63 N -0.79 1.97 -0.04 4.30 2.02 -0.23 -4.98 118.70 120.95 1d3b s GLU 63 Ca 0.03 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.32 1d3b s GLU 63 Cb -0.07 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1d3b s GLU 63 CO 0.01 0.37 -0.20 0.21 0.02 0.00 0.00 175.26 175.67 1d3b s LYS 64 N -0.24 1.93 -0.18 1.61 2.20 -1.26 -0.90 119.74 122.89 1d3b s LYS 64 Ca 0.01 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1d3b s LYS 64 Cb -0.11 -1.71 0.04 0.00 -1.51 0.00 0.00 37.83 34.54 1d3b s LYS 64 CO 0.01 0.33 -0.12 1.03 -0.36 0.00 0.00 175.35 176.24 1d3b s ARG 65 N -0.14 2.15 -0.27 4.03 0.52 0.47 -4.97 118.95 120.75 1d3b s ARG 65 Ca -0.01 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.14 1d3b s ARG 65 Cb -0.11 -2.34 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 1d3b s ARG 65 CO 0.02 -0.37 1.32 0.08 0.02 0.00 0.00 175.30 176.38 1d3b s VAL 66 N 1.41 4.12 -0.21 3.52 1.01 -1.26 -0.91 120.40 128.09 1d3b s VAL 66 Ca 0.01 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 1d3b s VAL 66 Cb -0.15 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1d3b s VAL 66 CO -0.09 -0.39 -0.35 0.18 0.00 0.00 0.00 175.10 174.45 1d3b n LEU 67 N 7.50 1.94 0.00 3.92 4.77 -0.03 -4.98 117.00 130.12 1d3b n LEU 67 Ca 0.15 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1d3b n LEU 67 Cb 0.46 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1d3b n LEU 67 CO 0.62 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1d3b n GLY 68 N 1.42 0.09 3.52 -0.72 0.00 -0.67 -4.93 105.19 103.90 1d3b n GLY 68 Ca -0.25 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1d3b n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d3b s LEU 69 N 0.00 4.27 -0.08 0.99 2.96 -1.26 0.39 118.68 125.95 1d3b s LEU 69 Ca 0.00 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1d3b s LEU 69 Cb 0.00 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 1d3b s LEU 69 CO 0.00 -1.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.21 1d3b s VAL 70 N 3.53 3.68 -0.46 1.68 1.01 0.91 -4.96 120.40 125.79 1d3b s VAL 70 Ca 0.28 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1d3b s VAL 70 Cb -0.13 -2.52 0.12 0.00 0.00 0.00 0.00 36.38 33.85 1d3b s VAL 70 CO 0.20 0.58 0.32 -0.22 0.00 0.00 0.00 175.10 175.98 1d3b s LEU 71 N -0.62 5.59 -0.18 3.92 0.20 -1.26 0.83 118.68 127.17 1d3b s LEU 71 Ca 0.09 -1.91 -0.20 0.00 0.69 0.00 0.00 54.13 52.80 1d3b s LEU 71 Cb -0.12 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 1d3b s LEU 71 CO 0.02 -0.66 0.60 -0.22 -0.29 0.00 0.00 176.35 175.80 1d3b s LEU 72 N 1.32 4.17 0.10 -0.68 2.96 0.11 -4.94 118.68 121.73 1d3b s LEU 72 Ca 0.06 0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 1d3b s LEU 72 Cb -0.25 -2.85 -0.06 0.00 0.50 0.00 0.00 46.19 43.52 1d3b s LEU 72 CO -0.01 -0.22 1.19 -0.13 -1.32 0.00 0.00 176.35 175.86 1d3b s ARG 73 N 1.64 4.46 0.41 1.98 0.52 -1.26 -1.19 118.95 125.51 1d3b s ARG 73 Ca 0.28 1.78 0.15 0.00 -0.52 0.00 0.00 55.73 57.43 1d3b s ARG 73 Cb -0.16 -3.32 0.88 0.00 0.52 0.00 0.00 34.95 32.88 1d3b s ARG 73 CO 0.11 -0.19 1.90 0.78 0.02 0.00 0.00 175.30 177.92 1d3b h GLY 74 N 6.33 0.00 1.81 -3.53 0.00 -1.73 -3.25 103.07 102.70 1d3b h GLY 74 Ca -0.42 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1d3b h GLY 74 CO 0.79 0.00 0.08 -2.09 0.00 0.00 0.00 176.54 175.32 1d3b h GLU 75 N 0.00 0.00 -0.02 4.80 4.81 -1.87 -0.54 114.58 121.76 1d3b h GLU 75 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1d3b h GLU 75 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1d3b h GLU 75 CO 0.04 0.00 -0.19 0.09 -0.73 0.00 0.00 179.01 178.22 1d3b n ASN 76 N -3.67 2.60 -4.69 1.04 3.02 -1.23 -4.95 115.26 107.38 1d3b n ASN 76 Ca -0.02 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.32 1d3b n ASN 76 Cb 0.17 0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1d3b n ASN 76 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1d3b s LEU 77 N -2.18 4.26 -0.03 3.41 2.96 -0.21 -0.76 118.68 126.14 1d3b s LEU 77 Ca 0.24 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1d3b s LEU 77 Cb 0.19 -3.29 -0.07 0.00 0.50 0.00 0.00 46.19 43.51 1d3b s LEU 77 CO 0.41 -0.29 0.07 1.33 -1.32 0.00 0.00 176.35 176.55 1d3b n VAL 78 N 4.27 0.15 -3.91 1.68 0.24 0.24 -4.35 118.33 116.64 1d3b n VAL 78 Ca 0.04 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 1d3b n VAL 78 Cb 0.50 -0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 1d3b n VAL 78 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d3b s SER 79 N -3.06 0.09 -0.08 -1.34 0.15 -1.06 -4.27 113.70 104.13 1d3b s SER 79 Ca -0.02 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 1d3b s SER 79 Cb 0.03 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1d3b s SER 79 CO 0.22 -0.24 0.17 -0.32 1.20 0.00 0.00 173.24 174.27 1d3b s MET 80 N -1.00 0.06 0.13 5.44 1.75 -1.26 -0.82 119.30 123.60 1d3b s MET 80 Ca -0.11 0.52 0.02 0.00 -1.25 0.00 0.00 55.69 54.87 1d3b s MET 80 Cb -0.07 -0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.33 1d3b s MET 80 CO 0.00 -0.26 -0.04 0.95 -0.65 0.00 0.00 175.02 175.02 1d3b s THR 81 N 1.96 0.66 -0.06 10.11 -4.23 0.03 -4.96 115.64 119.15 1d3b s THR 81 Ca -0.01 -1.95 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 1d3b s THR 81 Cb -0.12 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1d3b s THR 81 CO -0.06 -0.71 1.16 -0.69 -0.54 0.00 0.00 174.62 173.78 1d3b s VAL 82 N -3.65 4.35 -0.12 2.29 1.01 -1.26 -0.11 120.40 122.91 1d3b s VAL 82 Ca 0.17 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1d3b s VAL 82 Cb 0.06 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 32.10 1d3b s VAL 82 CO -0.01 0.00 0.37 -0.62 0.00 0.00 0.00 175.10 174.84 1d3b n GLU 83 N 5.12 0.76 -3.70 2.72 -0.58 0.20 -4.80 120.64 120.36 1d3b n GLU 83 Ca 0.10 0.27 0.01 0.00 -0.42 0.00 0.00 57.16 57.12 1d3b n GLU 83 Cb 0.47 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1d3b n GLU 83 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1d3b s GLY 84 N -5.57 -0.33 1.00 0.62 0.00 -0.64 -4.98 107.32 97.43 1d3b s GLY 84 Ca -0.22 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.86 1d3b s GLY 84 CO 0.77 1.17 1.09 2.56 0.00 0.00 0.00 173.10 178.69 1d3b s PRO 85 N -2.40 0.38 0.26 2.90 0.04 -1.26 -1.01 135.00 133.91 1d3b s PRO 85 Ca 0.17 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1d3b s PRO 85 Cb 0.03 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.72 1d3b s PRO 85 CO -0.02 -2.77 1.65 -2.14 0.04 0.00 0.00 177.00 173.76 1d3b s PRO 86 N -4.95 4.11 0.00 0.56 0.02 -1.25 -3.86 135.00 129.63 1d3b s PRO 86 Ca 0.65 2.61 0.09 0.00 0.02 0.00 0.00 61.00 64.37 1d3b s PRO 86 Cb -0.19 -3.04 0.57 0.00 0.02 0.00 0.00 34.50 31.86 1d3b s PRO 86 CO 0.58 -0.69 1.01 -2.30 -0.33 0.00 0.00 177.00 175.27