#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n GLY 4 N 0.00 -1.19 2.21 7.55 0.00 -1.26 -4.78 105.19 107.72 1d3b n GLY 4 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 1d3b n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d3b n LYS 5 N -2.75 0.00 0.00 1.61 5.02 -1.26 -4.57 118.16 116.21 1d3b n LYS 5 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1d3b n LYS 5 Cb 0.58 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1d3b n LYS 5 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1d3b n SER 6 N 1.89 0.00 -4.67 4.39 2.88 -1.26 -4.57 113.62 112.27 1d3b n SER 6 Ca 0.04 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 1d3b n SER 6 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1d3b n SER 6 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1d3b s SER 7 N -1.41 7.09 -0.55 -3.46 0.01 -1.26 -3.96 113.70 110.15 1d3b s SER 7 Ca 0.00 1.59 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 1d3b s SER 7 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1d3b s SER 7 CO 0.00 -0.62 0.30 0.29 0.41 0.00 0.00 173.24 173.63 1d3b n LYS 8 N 5.81 -0.67 0.03 12.44 5.02 -1.26 -4.66 118.16 134.87 1d3b n LYS 8 Ca 0.11 -0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1d3b n LYS 8 Cb 0.46 -0.60 0.53 0.00 -0.02 0.00 0.00 35.03 35.40 1d3b n LYS 8 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1d3b n MET 9 N -2.82 0.08 0.25 1.97 1.56 -1.25 -2.40 117.12 114.51 1d3b n MET 9 Ca -0.05 0.10 0.17 0.00 -0.27 0.00 0.00 57.70 57.65 1d3b n MET 9 Cb 0.25 -1.60 0.91 0.00 2.15 0.00 0.00 33.22 34.94 1d3b n MET 9 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1d3b h LEU 10 N 0.00 0.00 -1.74 -0.89 5.85 -1.90 -1.76 115.31 114.88 1d3b h LEU 10 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1d3b h LEU 10 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1d3b h LEU 10 CO 0.00 0.00 -0.16 0.06 -0.34 0.00 0.00 178.44 178.00 1d3b h GLN 11 N 0.00 0.00 -0.10 1.25 3.07 -1.82 -2.71 115.11 114.80 1d3b h GLN 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1d3b h GLN 11 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1d3b h GLN 11 CO 0.00 0.16 0.00 0.72 0.09 0.00 0.00 178.83 179.80 1d3b n HIS 12 N -4.15 0.10 -1.69 0.06 8.25 -0.66 -4.96 115.22 112.16 1d3b n HIS 12 Ca -0.02 -0.05 -0.44 0.00 -0.26 0.00 0.00 57.72 56.95 1d3b n HIS 12 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 1.12 0.47 0.00 1.59 2.08 -1.03 -1.66 119.36 121.93 1d3b n ILE 13 Ca 0.16 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1d3b n ILE 13 Cb 0.55 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.77 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 2.90 0.00 -4.88 4.38 8.00 0.11 -5.01 116.55 122.05 1d3b n ASP 14 Ca 0.14 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 1d3b n ASP 14 Cb 0.32 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.19 3.45 -0.22 1.24 1.51 -0.67 -3.86 117.35 116.62 1d3b s TYR 15 Ca 0.00 1.08 -0.29 0.00 -1.01 0.00 0.00 57.07 56.85 1d3b s TYR 15 Cb 0.00 -2.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 1d3b s TYR 15 CO 0.00 -0.90 1.10 1.03 -1.11 0.00 0.00 175.55 175.67 1d3b s ARG 16 N -5.21 4.24 0.07 -0.62 1.81 -0.42 -1.12 118.95 117.69 1d3b s ARG 16 Ca 0.56 1.41 0.09 0.00 -1.72 0.00 0.00 55.73 56.07 1d3b s ARG 16 Cb -0.11 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.68 1d3b s ARG 16 CO 0.51 -0.67 -0.25 -1.64 -0.68 0.00 0.00 175.30 172.57 1d3b s MET 17 N 3.32 1.62 -0.38 3.54 -1.94 -0.15 0.16 119.30 125.46 1d3b s MET 17 Ca 0.47 -1.14 -0.15 0.00 -1.71 0.00 0.00 55.69 53.16 1d3b s MET 17 Cb -0.16 -1.86 0.01 0.00 2.01 0.00 0.00 34.83 34.82 1d3b s MET 17 CO 0.09 0.47 0.30 0.50 -0.01 0.00 0.00 175.02 176.37 1d3b s ARG 18 N -1.45 3.19 -0.32 2.03 3.52 0.73 -2.36 118.95 124.29 1d3b s ARG 18 Ca 0.11 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 1d3b s ARG 18 Cb -0.10 -3.91 0.03 0.00 -1.56 0.00 0.00 34.95 29.41 1d3b s ARG 18 CO 0.03 -0.65 0.09 0.00 -0.81 0.00 0.00 175.30 173.96 1d3b s ILE 20 N 1.42 4.43 0.78 0.00 1.01 0.26 0.10 121.20 129.19 1d3b s ILE 20 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1d3b s ILE 20 Cb -0.19 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.35 1d3b s ILE 20 CO 0.02 0.45 1.16 -0.76 0.00 0.00 0.00 174.94 175.81 1d3b s LEU 21 N 0.60 2.60 0.55 2.97 1.43 -0.52 -1.02 118.68 125.29 1d3b s LEU 21 Ca 0.01 0.86 0.23 0.00 -1.03 0.00 0.00 54.13 54.20 1d3b s LEU 21 Cb -0.13 -3.42 1.48 0.00 0.03 0.00 0.00 46.19 44.14 1d3b s LEU 21 CO 0.02 -1.77 2.13 -0.61 0.23 0.00 0.00 176.35 176.35 1d3b h GLN 22 N -0.96 0.00 -0.13 1.70 4.15 -1.23 -1.32 115.11 117.31 1d3b h GLN 22 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1d3b h GLN 22 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1d3b h GLN 22 CO 0.65 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.15 1d3b n ASP 23 N -4.23 1.64 0.00 -0.69 5.68 -1.26 -4.94 116.55 112.75 1d3b n ASP 23 Ca 0.00 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1d3b n ASP 23 Cb 0.23 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.14 0.91 3.77 6.12 0.00 -0.50 -5.05 105.19 111.59 1d3b n GLY 24 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1d3b n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3b n ARG 25 N -2.00 2.72 -3.98 1.61 1.74 -1.26 -4.73 116.66 110.75 1d3b n ARG 25 Ca 0.00 0.96 -0.34 0.00 -0.77 0.00 0.00 57.85 57.70 1d3b n ARG 25 Cb 0.00 -2.72 -0.15 0.00 -1.02 0.00 0.00 32.46 28.58 1d3b n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d3b s ILE 26 N -0.69 2.81 -0.26 0.55 1.01 0.79 -1.44 121.20 123.98 1d3b s ILE 26 Ca 0.57 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 1d3b s ILE 26 Cb -0.48 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1d3b s ILE 26 CO 0.58 0.31 0.13 -0.36 0.00 0.00 0.00 174.94 175.60 1d3b s PHE 27 N 1.35 3.17 -0.19 3.97 0.40 0.11 0.06 117.98 126.85 1d3b s PHE 27 Ca 0.02 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1d3b s PHE 27 Cb -0.15 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.08 1d3b s PHE 27 CO -0.06 -0.21 -0.14 0.42 0.70 0.00 0.00 175.22 175.92 1d3b s ILE 28 N 1.58 2.56 0.32 0.64 1.01 0.02 0.61 121.20 127.95 1d3b s ILE 28 Ca 0.07 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 1d3b s ILE 28 Cb -0.15 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1d3b s ILE 28 CO 0.07 0.50 0.71 -0.83 0.00 0.00 0.00 174.94 175.40 1d3b s GLY 29 N 1.24 0.19 -0.30 6.18 0.00 -0.99 -0.62 107.32 113.02 1d3b s GLY 29 Ca 0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 44.72 43.93 1d3b s GLY 29 CO -0.07 -0.25 0.91 -1.59 0.00 0.00 0.00 173.10 172.10 1d3b s THR 30 N -3.32 4.69 -0.28 0.90 2.01 0.17 -0.98 115.64 118.83 1d3b s THR 30 Ca 0.14 1.46 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 1d3b s THR 30 Cb -0.05 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1d3b s THR 30 CO 0.09 -0.31 1.57 0.12 -0.69 0.00 0.00 174.62 175.40 1d3b s PHE 31 N 3.21 2.18 -0.01 4.92 5.99 -0.28 -0.78 117.98 133.21 1d3b s PHE 31 Ca 0.38 0.63 0.07 0.00 0.00 0.00 0.00 56.93 58.00 1d3b s PHE 31 Cb -0.14 -4.05 -0.10 0.00 0.00 0.00 0.00 43.02 38.73 1d3b s PHE 31 CO 0.13 -2.61 0.14 1.63 -0.00 0.00 0.00 175.22 174.51 1d3b n LYS 32 N 7.81 0.42 -3.55 10.12 4.76 0.01 0.09 118.16 137.83 1d3b n LYS 32 Ca 0.19 -0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.49 1d3b n LYS 32 Cb 0.46 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.45 -1.92 0.17 7.82 0.00 -1.19 -4.92 121.76 119.26 1d3b s ALA 33 Ca -0.03 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 1d3b s ALA 33 Cb 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1d3b s ALA 33 CO 0.28 -0.50 0.43 -0.59 0.00 0.00 0.00 175.76 175.37 1d3b s PHE 34 N -2.12 -0.01 0.32 0.00 -0.12 -1.26 -0.29 117.98 114.49 1d3b s PHE 34 Ca 0.03 -0.33 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1d3b s PHE 34 Cb -0.01 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 1d3b s PHE 34 CO -0.04 -0.80 0.15 -0.40 -0.05 0.00 0.00 175.22 174.07 1d3b n ASP 35 N -0.27 0.76 0.12 1.98 5.68 -0.99 -4.98 116.55 118.86 1d3b n ASP 35 Ca -0.11 -2.81 0.11 0.00 -0.50 0.00 0.00 54.79 51.48 1d3b n ASP 35 Cb 0.63 0.98 0.49 0.00 -1.14 0.00 0.00 41.12 42.08 1d3b n ASP 35 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1d3b n LYS 36 N -0.71 0.17 0.00 0.11 2.85 -1.26 -1.56 118.16 117.76 1d3b n LYS 36 Ca -0.02 0.45 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 1d3b n LYS 36 Cb 0.51 -1.85 0.42 0.00 -0.65 0.00 0.00 35.03 33.46 1d3b n LYS 36 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1d3b n HIS 37 N -2.17 0.00 -1.00 5.58 8.25 -1.26 -4.91 115.22 119.71 1d3b n HIS 37 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1d3b n HIS 37 Cb 0.18 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.29 0.00 -2.11 -0.41 2.81 -0.60 -4.26 117.12 112.26 1d3b n MET 38 Ca 0.15 0.25 -0.41 0.00 -1.81 0.00 0.00 57.70 55.88 1d3b n MET 38 Cb 0.36 -3.49 -0.02 0.00 -0.71 0.00 0.00 33.22 29.36 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 -2.50 6.76 0.18 7.83 0.01 -1.26 -3.36 114.94 122.60 1d3b s ASN 39 Ca 0.00 2.64 0.09 0.00 -0.71 0.00 0.00 52.86 54.88 1d3b s ASN 39 Cb 0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1d3b s ASN 39 CO 0.00 -0.57 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.07 1d3b s LEU 40 N -1.20 2.46 -0.24 0.60 1.43 -0.04 -2.34 118.68 119.35 1d3b s LEU 40 Ca 0.53 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1d3b s LEU 40 Cb -0.40 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1d3b s LEU 40 CO 0.48 -0.02 -0.00 -0.63 0.23 0.00 0.00 176.35 176.41 1d3b s ILE 41 N -2.12 3.59 -0.18 -0.59 -1.09 0.60 -0.81 121.20 120.60 1d3b s ILE 41 Ca 0.18 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1d3b s ILE 41 Cb -0.05 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 1d3b s ILE 41 CO 0.08 0.33 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.16 1d3b s LEU 42 N 1.49 2.16 0.16 2.97 1.43 0.74 -0.81 118.68 126.83 1d3b s LEU 42 Ca 0.05 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1d3b s LEU 42 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1d3b s LEU 42 CO -0.01 -0.00 0.31 0.00 0.23 0.00 0.00 176.35 176.88 1d3b n ASP 44 N -0.57 -1.44 -4.86 0.00 8.00 -1.02 -0.66 116.55 116.01 1d3b n ASP 44 Ca -0.06 -0.91 -0.37 0.00 0.71 0.00 0.00 54.79 54.15 1d3b n ASP 44 Cb 0.54 -3.50 -0.06 0.00 -0.02 0.00 0.00 41.12 38.07 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 -1.07 3.06 -0.08 0.00 1.01 0.21 -1.23 116.67 118.58 1d3b s ASP 46 Ca 0.20 -0.90 0.03 0.00 0.71 0.00 0.00 52.55 52.58 1d3b s ASP 46 Cb -0.14 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 1d3b s ASP 46 CO 0.09 0.02 -0.16 -0.70 0.21 0.00 0.00 175.17 174.63 1d3b s GLU 47 N -2.94 2.84 -0.04 8.23 2.12 0.05 -0.80 118.70 128.16 1d3b s GLU 47 Ca 0.20 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.86 1d3b s GLU 47 Cb -0.06 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 1d3b s GLU 47 CO 0.09 0.42 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.95 1d3b s PHE 48 N -0.21 2.46 -0.03 5.30 0.40 0.11 -0.57 117.98 125.43 1d3b s PHE 48 Ca -0.00 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1d3b s PHE 48 Cb -0.13 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1d3b s PHE 48 CO 0.03 -0.04 -0.11 1.03 0.70 0.00 0.00 175.22 176.84 1d3b s ARG 49 N -0.50 1.19 -0.25 0.44 0.52 0.10 -0.15 118.95 120.31 1d3b s ARG 49 Ca 0.06 -0.37 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1d3b s ARG 49 Cb -0.11 -1.08 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 1d3b s ARG 49 CO 0.01 0.13 0.03 0.15 0.02 0.00 0.00 175.30 175.63 1d3b s LYS 50 N 0.21 3.40 -0.09 3.54 1.02 -1.26 -0.53 119.74 126.02 1d3b s LYS 50 Ca -0.04 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1d3b s LYS 50 Cb -0.10 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1d3b s LYS 50 CO 0.01 -0.26 -0.22 0.42 -0.92 0.00 0.00 175.35 174.39 1d3b s ILE 51 N 1.53 2.31 -0.42 2.17 1.01 0.95 -4.99 121.20 123.76 1d3b s ILE 51 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1d3b s ILE 51 Cb -0.15 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.48 1d3b s ILE 51 CO 0.00 0.56 0.28 -0.75 0.00 0.00 0.00 174.94 175.04 1d3b s LYS 52 N 0.15 2.81 0.66 2.79 2.20 -1.26 -0.46 119.74 126.62 1d3b s LYS 52 Ca -0.12 -1.27 -0.17 0.00 -0.36 0.00 0.00 55.97 54.05 1d3b s LYS 52 Cb -0.16 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.27 1d3b s LYS 52 CO 0.06 -0.87 1.13 -2.30 -0.36 0.00 0.00 175.35 173.01 1d3b n PRO 53 N 5.04 0.89 -0.11 4.03 -0.02 -1.26 -4.92 135.00 138.65 1d3b n PRO 53 Ca -0.11 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1d3b n PRO 53 Cb 0.44 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1d3b n PRO 53 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1d3b h LYS 54 N 0.29 0.72 -6.20 -0.52 1.57 -1.97 -3.40 116.57 107.06 1d3b h LYS 54 Ca -0.49 -0.34 -0.56 0.00 -1.87 0.00 0.00 60.65 57.39 1d3b h LYS 54 Cb 1.35 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 1d3b h LYS 54 CO 0.51 0.95 1.30 1.21 -0.57 0.00 0.00 179.45 182.84 1d3b s ASN 55 N -6.47 6.03 0.39 0.86 3.84 -1.26 -4.86 114.94 113.47 1d3b s ASN 55 Ca -0.12 2.00 0.28 0.00 0.21 0.00 0.00 52.86 55.23 1d3b s ASN 55 Cb 0.09 -2.52 1.28 0.00 -0.55 0.00 0.00 41.25 39.55 1d3b s ASN 55 CO 0.82 -1.48 1.84 -1.28 -2.79 0.00 0.00 177.10 174.21 1d3b h SER 56 N 12.40 0.00 0.56 -4.21 0.87 -2.01 -2.41 113.55 118.76 1d3b h SER 56 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1d3b h SER 56 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1d3b h SER 56 CO 0.97 0.00 -0.34 0.29 -0.53 0.00 0.00 176.83 177.22 1d3b n LYS 57 N -2.53 0.15 -3.63 2.24 5.02 -1.26 -4.85 118.16 113.30 1d3b n LYS 57 Ca 0.00 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1d3b n LYS 57 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.90 3.71 0.64 1.97 -1.52 -0.91 -5.09 119.66 115.57 1d3b s GLN 58 Ca 0.15 0.11 -0.10 0.00 -1.95 0.00 0.00 55.36 53.57 1d3b s GLN 58 Cb 0.18 -3.03 -0.01 0.00 -0.22 0.00 0.00 33.01 29.94 1d3b s GLN 58 CO 0.63 0.59 1.02 0.00 -0.25 0.00 0.00 175.29 177.28 1d3b s ALA 59 N -1.36 3.06 0.32 6.09 0.00 -1.26 -4.75 121.76 123.86 1d3b s ALA 59 Ca 0.31 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1d3b s ALA 59 Cb -0.14 -2.93 -0.11 0.00 0.00 0.00 0.00 23.12 19.94 1d3b s ALA 59 CO 0.17 -0.89 1.54 -2.00 0.00 0.00 0.00 175.76 174.58 1d3b s GLU 60 N -5.20 4.13 0.36 0.00 2.12 -1.26 -4.60 118.70 114.26 1d3b s GLU 60 Ca 0.56 2.55 0.07 0.00 0.36 0.00 0.00 54.97 58.51 1d3b s GLU 60 Cb -0.11 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 1d3b s GLU 60 CO 0.51 -0.58 -0.03 -0.98 -0.54 0.00 0.00 175.26 173.64 1d3b s ARG 61 N -1.03 1.83 0.05 4.30 1.70 0.39 -4.95 118.95 121.24 1d3b s ARG 61 Ca 0.59 -1.99 0.07 0.00 -0.47 0.00 0.00 55.73 53.93 1d3b s ARG 61 Cb -0.47 -1.53 -0.02 0.00 -0.57 0.00 0.00 34.95 32.36 1d3b s ARG 61 CO 0.53 0.01 -0.19 -2.00 -1.08 0.00 0.00 175.30 172.57 1d3b s GLU 62 N -3.70 1.25 -0.04 3.89 2.12 -1.26 -0.04 118.70 120.93 1d3b s GLU 62 Ca 0.34 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.81 1d3b s GLU 62 Cb 0.07 -1.34 -0.00 0.00 0.26 0.00 0.00 34.13 33.11 1d3b s GLU 62 CO 0.17 0.34 -0.17 -1.21 -0.54 0.00 0.00 175.26 173.84 1d3b s GLU 63 N -1.21 1.71 -0.04 4.30 2.02 0.31 -4.97 118.70 120.82 1d3b s GLU 63 Ca 0.06 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 54.50 1d3b s GLU 63 Cb -0.09 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 1d3b s GLU 63 CO 0.02 0.26 -0.21 0.21 0.02 0.00 0.00 175.26 175.56 1d3b s LYS 64 N -0.02 2.05 -0.13 1.61 2.20 -1.26 -0.72 119.74 123.46 1d3b s LYS 64 Ca -0.02 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1d3b s LYS 64 Cb -0.11 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.43 1d3b s LYS 64 CO 0.02 0.34 -0.18 1.03 -0.36 0.00 0.00 175.35 176.20 1d3b s ARG 65 N -0.15 2.60 -0.26 4.03 0.52 0.27 -4.97 118.95 120.97 1d3b s ARG 65 Ca -0.01 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 1d3b s ARG 65 Cb -0.12 -2.19 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1d3b s ARG 65 CO 0.02 -0.09 1.16 0.08 0.02 0.00 0.00 175.30 176.48 1d3b s VAL 66 N 1.05 4.42 -0.19 3.52 1.01 -1.26 -0.77 120.40 128.18 1d3b s VAL 66 Ca -0.03 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1d3b s VAL 66 Cb -0.15 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 1d3b s VAL 66 CO -0.05 -0.33 -0.28 0.18 0.00 0.00 0.00 175.10 174.62 1d3b n LEU 67 N 6.84 1.59 0.00 3.92 4.77 -0.37 -4.97 117.00 128.79 1d3b n LEU 67 Ca 0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1d3b n LEU 67 Cb 0.46 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1d3b n LEU 67 CO 0.58 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1d3b n GLY 68 N 1.70 0.29 3.55 -0.72 0.00 -0.78 -4.93 105.19 104.30 1d3b n GLY 68 Ca -0.35 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 4.03 -0.07 0.99 2.96 -1.26 -0.55 118.68 124.77 1d3b s LEU 69 Ca 0.00 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1d3b s LEU 69 Cb 0.00 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 1d3b s LEU 69 CO 0.00 -1.12 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.13 1d3b s VAL 70 N 3.84 3.52 -0.40 1.68 1.01 0.87 -4.97 120.40 125.95 1d3b s VAL 70 Ca 0.35 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1d3b s VAL 70 Cb -0.11 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1d3b s VAL 70 CO 0.24 0.59 0.24 -0.22 0.00 0.00 0.00 175.10 175.94 1d3b s LEU 71 N -0.66 5.01 -0.22 3.92 0.20 -1.26 -0.19 118.68 125.48 1d3b s LEU 71 Ca 0.10 -1.36 -0.17 0.00 0.69 0.00 0.00 54.13 53.39 1d3b s LEU 71 Cb -0.11 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 1d3b s LEU 71 CO 0.01 -0.49 0.44 -0.22 -0.29 0.00 0.00 176.35 175.80 1d3b s LEU 72 N 1.46 4.12 0.10 -0.68 2.96 0.01 -4.93 118.68 121.72 1d3b s LEU 72 Ca 0.02 0.52 -0.31 0.00 -0.22 0.00 0.00 54.13 54.15 1d3b s LEU 72 Cb -0.22 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.84 1d3b s LEU 72 CO 0.03 -0.14 1.22 -0.13 -1.32 0.00 0.00 176.35 176.01 1d3b s ARG 73 N 1.60 4.44 0.49 1.98 1.81 -1.26 -0.86 118.95 127.16 1d3b s ARG 73 Ca 0.20 1.83 0.26 0.00 -1.72 0.00 0.00 55.73 56.30 1d3b s ARG 73 Cb -0.15 -3.31 1.26 0.00 -0.45 0.00 0.00 34.95 32.30 1d3b s ARG 73 CO 0.09 -0.23 1.98 0.78 -0.68 0.00 0.00 175.30 177.24 1d3b h GLY 74 N 6.43 0.00 2.00 -3.53 0.00 -1.73 -3.26 103.07 102.98 1d3b h GLY 74 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1d3b h GLY 74 CO 0.80 0.00 -0.04 1.05 0.00 0.00 0.00 176.54 178.35 1d3b h GLU 75 N 0.00 0.00 -0.01 4.80 4.11 -1.87 -1.25 114.58 120.36 1d3b h GLU 75 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1d3b h GLU 75 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1d3b h GLU 75 CO 0.02 0.04 -0.56 0.09 0.07 0.00 0.00 179.01 178.67 1d3b n ASN 76 N -3.44 1.79 -4.64 3.06 3.02 -1.23 -4.94 115.26 108.89 1d3b n ASN 76 Ca -0.02 -1.39 -0.43 0.00 -0.03 0.00 0.00 54.58 52.71 1d3b n ASN 76 Cb 0.15 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.57 4.02 -0.01 3.41 0.20 -0.47 -0.67 118.68 122.58 1d3b s LEU 77 Ca 0.17 1.49 0.10 0.00 0.69 0.00 0.00 54.13 56.58 1d3b s LEU 77 Cb 0.18 -3.54 -0.16 0.00 -0.43 0.00 0.00 46.19 42.24 1d3b s LEU 77 CO 0.62 -0.96 0.22 1.33 -0.29 0.00 0.00 176.35 177.27 1d3b n VAL 78 N 5.87 0.00 -3.73 1.68 0.24 -0.19 -4.86 118.33 117.34 1d3b n VAL 78 Ca 0.15 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1d3b n VAL 78 Cb 0.46 0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 33.01 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 -3.14 -0.45 -0.11 -1.34 0.15 -1.14 -4.67 113.70 103.01 1d3b s SER 79 Ca -0.04 0.87 -0.04 0.00 0.70 0.00 0.00 55.95 57.44 1d3b s SER 79 Cb 0.06 0.88 0.06 0.00 -1.71 0.00 0.00 66.02 65.31 1d3b s SER 79 CO 0.42 -0.15 0.20 -0.32 1.20 0.00 0.00 173.24 174.59 1d3b s MET 80 N 0.24 0.08 0.16 5.44 0.00 -1.26 -0.58 119.30 123.39 1d3b s MET 80 Ca -0.00 0.59 0.07 0.00 0.00 0.00 0.00 55.69 56.35 1d3b s MET 80 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 34.83 34.47 1d3b s MET 80 CO 0.00 -0.33 -0.15 0.95 0.00 0.00 0.00 175.02 175.49 1d3b s THR 81 N 2.34 1.61 0.14 10.11 -4.23 -0.17 -4.86 115.64 120.58 1d3b s THR 81 Ca 0.03 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.29 1d3b s THR 81 Cb -0.12 -1.80 -0.08 0.00 1.34 0.00 0.00 72.50 71.83 1d3b s THR 81 CO -0.07 -0.45 1.31 -0.69 -0.54 0.00 0.00 174.62 174.18 1d3b s VAL 82 N -2.40 3.43 -0.22 2.29 1.01 -1.26 -0.19 120.40 123.06 1d3b s VAL 82 Ca 0.16 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1d3b s VAL 82 Cb -0.04 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.45 1d3b s VAL 82 CO 0.05 0.12 -0.05 1.21 0.00 0.00 0.00 175.10 176.43 1d3b n GLU 83 N 3.36 0.68 -3.83 2.72 4.07 0.43 -4.76 120.64 123.32 1d3b n GLU 83 Ca 0.09 0.16 0.01 0.00 -0.06 0.00 0.00 57.16 57.36 1d3b n GLU 83 Cb 0.43 -1.57 0.01 0.00 -0.06 0.00 0.00 31.44 30.25 1d3b n GLU 83 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1d3b s GLY 84 N -6.19 -0.18 0.94 8.31 0.00 -0.76 -4.99 107.32 104.45 1d3b s GLY 84 Ca -0.29 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.50 1d3b s GLY 84 CO 0.66 2.82 1.09 2.56 0.00 0.00 0.00 173.10 180.23 1d3b s PRO 85 N -2.26 0.93 0.24 2.90 0.04 -1.26 -1.30 135.00 134.29 1d3b s PRO 85 Ca 0.22 0.83 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 1d3b s PRO 85 Cb 0.01 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.64 1d3b s PRO 85 CO -0.00 -2.47 1.34 -2.30 0.04 0.00 0.00 177.00 173.61 1d3b n PRO 86 N -4.04 1.86 -2.31 0.56 -0.02 -1.25 -3.88 135.00 125.93 1d3b n PRO 86 Ca 0.07 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 1d3b n PRO 86 Cb 0.55 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1d3b n PRO 86 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1d3b s PRO 87 N -0.55 3.49 0.00 0.52 0.02 -1.26 -4.98 135.00 132.24 1d3b s PRO 87 Ca 0.68 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1d3b s PRO 87 Cb -0.68 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 31.80 1d3b s PRO 87 CO 0.51 -0.70 0.00 1.63 -0.33 0.00 0.00 177.00 178.11