data_nef_c19963_2mp5 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19947 PDB 2MP5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 5 CYS SG 1 34 CYS SG 1 16 CYS SG 1 29 CYS SG 1 18 CYS SG 1 24 CYS SG 1 28 CYS SG 1 51 CYS SG 1 42 CYS SG 1 48 CYS SG 1 47 CYS SG 1 72 CYS SG 1 60 CYS SG 1 79 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 1 1 SER start . . 2 1 2 PRO middle . false 3 1 3 PRO middle . false 4 1 4 VAL middle . . 5 1 5 CYS middle -HG . 6 1 6 GLY middle . false 7 1 7 ASN middle . . 8 1 8 LYS middle . . 9 1 9 ILE middle . . 10 1 10 LEU middle . . 11 1 11 GLU middle . . 12 1 12 GLN middle . . 13 1 13 GLY middle . false 14 1 14 GLU middle . . 15 1 15 ASP middle . . 16 1 16 CYS middle -HG . 17 1 17 ASP middle . . 18 1 18 CYS middle -HG . 19 1 19 GLY middle . false 20 1 20 SER middle . . 21 1 21 PRO middle . false 22 1 22 ALA middle . . 23 1 23 ASN middle . . 24 1 24 CYS middle -HG . 25 1 25 GLN middle . . 26 1 26 ASP middle . . 27 1 27 ARG middle . . 28 1 28 CYS middle -HG . 29 1 29 CYS middle -HG . 30 1 30 ASN middle . . 31 1 31 ALA middle . . 32 1 32 ALA middle . . 33 1 33 THR middle . . 34 1 34 CYS middle -HG . 35 1 35 LYS middle . . 36 1 36 LEU middle . . 37 1 37 THR middle . . 38 1 38 PRO middle . false 39 1 39 GLY middle . false 40 1 40 SER middle . . 41 1 41 GLN middle . . 42 1 42 CYS middle -HG . 43 1 43 ASN middle . . 44 1 44 TYR middle . . 45 1 45 GLY middle . false 46 1 46 GLU middle . . 47 1 47 CYS middle -HG . 48 1 48 CYS middle -HG . 49 1 49 ASP middle . . 50 1 50 GLN middle . . 51 1 51 CYS middle -HG . 52 1 52 ARG middle . . 53 1 53 PHE middle . . 54 1 54 LYS middle . . 55 1 55 LYS middle . . 56 1 56 ALA middle . . 57 1 57 GLY middle . false 58 1 58 THR middle . . 59 1 59 VAL middle . . 60 1 60 CYS middle -HG . 61 1 61 ARG middle . . 62 1 62 ILE middle . . 63 1 63 ALA middle . . 64 1 64 ARG middle . . 65 1 65 GLY middle . false 66 1 66 ASP middle . . 67 1 67 TRP middle . . 68 1 68 ASN middle . . 69 1 69 ASP middle . . 70 1 70 ASP middle . . 71 1 71 TYR middle . . 72 1 72 CYS middle -HG . 73 1 73 THR middle . . 74 1 74 GLY middle . false 75 1 75 LYS middle . . 76 1 76 SER middle . . 77 1 77 SER middle . . 78 1 78 ASP middle . . 79 1 79 CYS middle -HG . 80 1 80 PRO middle . false 81 1 81 TRP middle . . 82 1 82 ASN middle . . 83 1 83 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty 1 1 SER HA H 1 4.49 0.01 1 1 SER HBx H 1 3.95 0.01 1 1 SER HBy H 1 4.09 0.01 1 1 SER CA C 13 56.7 0.1 1 1 SER CB C 13 61.4 0.1 1 2 PRO HA H 1 4.82 0.01 1 2 PRO HDx H 1 3.69 0.01 1 2 PRO HDy H 1 3.94 0.01 1 2 PRO CA C 13 61.9 0.1 1 3 PRO HA H 1 4.11 0.01 1 3 PRO HBx H 1 2.03 0.01 1 3 PRO HBy H 1 2.09 0.01 1 3 PRO HDx H 1 3.69 0.01 1 3 PRO HDy H 1 3.89 0.01 1 3 PRO HGx H 1 2.21 0.01 1 3 PRO HGy H 1 2.45 0.01 1 3 PRO CA C 13 63.2 0.1 1 3 PRO CB C 13 30.8 0.1 1 3 PRO CD C 13 50.5 0.1 1 3 PRO CG C 13 27.5 0.1 1 4 VAL H H 1 8.20 0.01 1 4 VAL HA H 1 4.18 0.01 1 4 VAL HB H 1 2.03 0.01 1 4 VAL HGx% H 1 0.81 0.01 1 4 VAL HGy% H 1 0.97 0.01 1 4 VAL CA C 13 62.7 0.1 1 4 VAL CB C 13 31.8 0.1 1 4 VAL CGx C 13 20.7 0.1 1 4 VAL CGy C 13 21.0 0.1 1 4 VAL N N 15 121.9 0.1 1 5 CYS H H 1 9.47 0.01 1 5 CYS HA H 1 5.00 0.01 1 5 CYS HBx H 1 2.72 0.01 1 5 CYS HBy H 1 3.25 0.01 1 5 CYS CA C 13 53.1 0.1 1 5 CYS N N 15 133.0 0.1 1 6 GLY H H 1 9.58 0.01 1 6 GLY HAx H 1 3.72 0.01 1 6 GLY HAy H 1 4.55 0.01 1 6 GLY N N 15 121.2 0.1 1 7 ASN H H 1 8.27 0.01 1 7 ASN HA H 1 4.73 0.01 1 7 ASN HBx H 1 2.67 0.01 1 7 ASN HBy H 1 3.39 0.01 1 7 ASN HD2x H 1 6.95 0.01 1 7 ASN HD2y H 1 7.67 0.01 1 7 ASN N N 15 120.5 0.1 1 7 ASN ND2 N 15 112.6 0.1 1 8 LYS H H 1 8.80 0.01 1 8 LYS HA H 1 3.38 0.01 1 8 LYS HBx H 1 2.03 0.01 1 8 LYS HBy H 1 2.09 0.01 1 8 LYS HDx H 1 1.48 0.01 1 8 LYS HDy H 1 1.70 0.01 1 8 LYS HE2 H 1 3.03 0.01 1 8 LYS HE3 H 1 3.03 0.01 1 8 LYS HGx H 1 1.13 0.01 1 8 LYS HGy H 1 1.27 0.01 1 8 LYS CA C 13 56.8 0.1 1 8 LYS CB C 13 33.0 0.1 1 8 LYS CD C 13 28.9 0.1 1 8 LYS CE C 13 41.9 0.1 1 8 LYS CG C 13 26.4 0.1 1 8 LYS N N 15 113.6 0.1 1 9 ILE H H 1 7.50 0.01 1 9 ILE HA H 1 4.24 0.01 1 9 ILE HB H 1 1.50 0.01 1 9 ILE HD1% H 1 0.80 0.01 1 9 ILE HG1x H 1 1.08 0.01 1 9 ILE HG1y H 1 1.41 0.01 1 9 ILE HG2% H 1 0.82 0.01 1 9 ILE CA C 13 59.7 0.1 1 9 ILE CD1 C 13 12.4 0.1 1 9 ILE CG2 C 13 17.3 0.1 1 9 ILE N N 15 119.2 0.1 1 10 LEU H H 1 9.27 0.01 1 10 LEU HA H 1 4.51 0.01 1 10 LEU HBx H 1 1.44 0.01 1 10 LEU HBy H 1 1.94 0.01 1 10 LEU HDx% H 1 0.75 0.01 1 10 LEU HDy% H 1 0.90 0.01 1 10 LEU HG H 1 1.47 0.01 1 10 LEU CA C 13 55.7 0.1 1 10 LEU CDx C 13 24.0 0.1 1 10 LEU CDy C 13 25.5 0.1 1 10 LEU N N 15 135.3 0.1 1 11 GLU H H 1 9.07 0.01 1 11 GLU HA H 1 4.61 0.01 1 11 GLU HBx H 1 1.81 0.01 1 11 GLU HBy H 1 2.07 0.01 1 11 GLU HG2 H 1 2.27 0.01 1 11 GLU HG3 H 1 2.27 0.01 1 11 GLU CB C 13 29.1 0.1 1 11 GLU N N 15 131.7 0.1 1 12 GLN H H 1 8.42 0.01 1 12 GLN HA H 1 4.06 0.01 1 12 GLN HBx H 1 2.03 0.01 1 12 GLN HBy H 1 2.10 0.01 1 12 GLN HG2 H 1 2.46 0.01 1 12 GLN HG3 H 1 2.46 0.01 1 12 GLN CA C 13 57.8 0.1 1 12 GLN CB C 13 29.7 0.1 1 12 GLN CG C 13 33.4 0.1 1 12 GLN N N 15 120.5 0.1 1 13 GLY H H 1 8.84 0.01 1 13 GLY HAx H 1 3.68 0.01 1 13 GLY HAy H 1 4.30 0.01 1 13 GLY N N 15 113.4 0.1 1 14 GLU H H 1 8.18 0.01 1 14 GLU HA H 1 4.64 0.01 1 14 GLU HBx H 1 1.93 0.01 1 14 GLU HBy H 1 2.22 0.01 1 14 GLU HGx H 1 2.27 0.01 1 14 GLU HGy H 1 2.63 0.01 1 14 GLU CB C 13 29.8 0.1 1 14 GLU N N 15 119.9 0.1 1 15 ASP H H 1 8.79 0.01 1 15 ASP HA H 1 4.79 0.01 1 15 ASP HBx H 1 2.59 0.01 1 15 ASP HBy H 1 2.72 0.01 1 15 ASP N N 15 119.3 0.1 1 16 CYS H H 1 7.78 0.01 1 16 CYS HA H 1 4.40 0.01 1 16 CYS HBx H 1 2.61 0.01 1 16 CYS HBy H 1 3.31 0.01 1 16 CYS CA C 13 53.9 0.1 1 16 CYS N N 15 114.2 0.1 1 17 ASP H H 1 8.24 0.01 1 17 ASP HA H 1 4.61 0.01 1 17 ASP HBx H 1 2.37 0.01 1 17 ASP HBy H 1 2.76 0.01 1 17 ASP CA C 13 55.3 0.1 1 17 ASP N N 15 116.5 0.1 1 18 CYS H H 1 9.11 0.01 1 18 CYS HA H 1 5.18 0.01 1 18 CYS HBx H 1 3.60 0.01 1 18 CYS HBy H 1 3.80 0.01 1 18 CYS CA C 13 54.5 0.1 1 18 CYS CB C 13 47.9 0.1 1 18 CYS N N 15 121.4 0.1 1 19 GLY H H 1 8.35 0.01 1 19 GLY HAx H 1 3.76 0.01 1 19 GLY HAy H 1 4.44 0.01 1 19 GLY N N 15 109.2 0.1 1 20 SER H H 1 8.63 0.01 1 20 SER HA H 1 4.79 0.01 1 20 SER HBx H 1 4.07 0.01 1 20 SER HBy H 1 4.29 0.01 1 20 SER CB C 13 62.8 0.1 1 20 SER N N 15 117.0 0.1 1 21 PRO HA H 1 4.12 0.01 1 21 PRO HBx H 1 2.04 0.01 1 21 PRO HBy H 1 2.50 0.01 1 21 PRO HDx H 1 3.91 0.01 1 21 PRO HDy H 1 3.95 0.01 1 21 PRO HGx H 1 1.88 0.01 1 21 PRO HGy H 1 2.34 0.01 1 21 PRO CA C 13 63.1 0.1 1 21 PRO CD C 13 50.7 0.1 1 21 PRO CG C 13 27.5 0.1 1 22 ALA H H 1 8.02 0.01 1 22 ALA HA H 1 4.19 0.01 1 22 ALA HB% H 1 1.38 0.01 1 22 ALA CA C 13 54.1 0.1 1 22 ALA CB C 13 18.7 0.1 1 22 ALA N N 15 116.4 0.1 1 23 ASN H H 1 7.62 0.01 1 23 ASN HA H 1 4.88 0.01 1 23 ASN HBx H 1 2.78 0.01 1 23 ASN HBy H 1 2.99 0.01 1 23 ASN HD2x H 1 7.04 0.01 1 23 ASN HD2y H 1 7.58 0.01 1 23 ASN CA C 13 53.0 0.1 1 23 ASN CB C 13 40.5 0.1 1 23 ASN N N 15 113.6 0.1 1 23 ASN ND2 N 15 112.5 0.1 1 24 CYS H H 1 7.79 0.01 1 24 CYS HA H 1 4.77 0.01 1 24 CYS HBx H 1 2.88 0.01 1 24 CYS HBy H 1 3.49 0.01 1 24 CYS CB C 13 42.6 0.1 1 24 CYS N N 15 121.0 0.1 1 25 GLN H H 1 9.27 0.01 1 25 GLN HA H 1 4.61 0.01 1 25 GLN HB2 H 1 1.94 0.01 1 25 GLN HB3 H 1 1.94 0.01 1 25 GLN HE2x H 1 6.88 0.01 1 25 GLN HE2y H 1 7.46 0.01 1 25 GLN HGx H 1 2.44 0.01 1 25 GLN HGy H 1 2.47 0.01 1 25 GLN CA C 13 55.4 0.1 1 25 GLN CB C 13 29.7 0.1 1 25 GLN N N 15 129.5 0.1 1 25 GLN NE2 N 15 112.8 0.1 1 26 ASP H H 1 7.67 0.01 1 26 ASP HA H 1 4.89 0.01 1 26 ASP HBx H 1 3.01 0.01 1 26 ASP HBy H 1 3.07 0.01 1 26 ASP CB C 13 42.7 0.1 1 26 ASP N N 15 119.6 0.1 1 27 ARG H H 1 9.05 0.01 1 27 ARG HA H 1 4.23 0.01 1 27 ARG HBx H 1 1.92 0.01 1 27 ARG HBy H 1 1.96 0.01 1 27 ARG HD2 H 1 3.27 0.01 1 27 ARG HD3 H 1 3.27 0.01 1 27 ARG HE H 1 7.26 0.01 1 27 ARG HGx H 1 1.77 0.01 1 27 ARG HGy H 1 1.80 0.01 1 27 ARG CA C 13 57.6 0.1 1 27 ARG CB C 13 29.7 0.1 1 27 ARG CD C 13 43.2 0.1 1 27 ARG CG C 13 27.1 0.1 1 27 ARG N N 15 125.1 0.1 1 28 CYS H H 1 7.88 0.01 1 28 CYS HA H 1 4.74 0.01 1 28 CYS HBx H 1 2.99 0.01 1 28 CYS HBy H 1 3.57 0.01 1 28 CYS CA C 13 52.6 0.1 1 28 CYS N N 15 115.3 0.1 1 29 CYS H H 1 7.65 0.01 1 29 CYS HA H 1 4.79 0.01 1 29 CYS HBx H 1 2.41 0.01 1 29 CYS HBy H 1 3.22 0.01 1 29 CYS N N 15 118.4 0.1 1 30 ASN H H 1 9.04 0.01 1 30 ASN HA H 1 4.69 0.01 1 30 ASN HBx H 1 2.24 0.01 1 30 ASN HBy H 1 3.43 0.01 1 30 ASN HD2x H 1 7.05 0.01 1 30 ASN HD2y H 1 7.61 0.01 1 30 ASN CB C 13 37.6 0.1 1 30 ASN N N 15 127.3 0.1 1 30 ASN ND2 N 15 112.2 0.1 1 31 ALA H H 1 8.51 0.01 1 31 ALA HA H 1 4.31 0.01 1 31 ALA HB% H 1 1.46 0.01 1 31 ALA CA C 13 54.2 0.1 1 31 ALA CB C 13 19.7 0.1 1 31 ALA N N 15 128.8 0.1 1 32 ALA H H 1 8.15 0.01 1 32 ALA HA H 1 4.22 0.01 1 32 ALA HB% H 1 1.54 0.01 1 32 ALA CA C 13 53.7 0.1 1 32 ALA CB C 13 19.3 0.1 1 32 ALA N N 15 113.3 0.1 1 33 THR H H 1 7.42 0.01 1 33 THR HA H 1 4.54 0.01 1 33 THR HB H 1 4.43 0.01 1 33 THR HG2% H 1 1.12 0.01 1 33 THR CA C 13 60.5 0.1 1 33 THR CB C 13 70.9 0.1 1 33 THR CG2 C 13 21.4 0.1 1 33 THR N N 15 104.1 0.1 1 34 CYS H H 1 8.99 0.01 1 34 CYS HA H 1 3.96 0.01 1 34 CYS HBx H 1 3.59 0.01 1 34 CYS HBy H 1 4.05 0.01 1 34 CYS N N 15 115.6 0.1 1 35 LYS H H 1 7.31 0.01 1 35 LYS HA H 1 4.85 0.01 1 35 LYS HBx H 1 1.69 0.01 1 35 LYS HBy H 1 1.95 0.01 1 35 LYS HEx H 1 3.10 0.01 1 35 LYS HEy H 1 3.13 0.01 1 35 LYS HG2 H 1 1.55 0.01 1 35 LYS HG3 H 1 1.55 0.01 1 35 LYS HZ1 H 1 7.44 0.01 1 35 LYS HZ2 H 1 7.44 0.01 1 35 LYS HZ3 H 1 7.44 0.01 1 35 LYS CA C 13 55.1 0.1 1 35 LYS CE C 13 42.3 0.1 1 35 LYS CG C 13 24.3 0.1 1 35 LYS N N 15 115.0 0.1 1 36 LEU H H 1 8.63 0.01 1 36 LEU HBx H 1 1.48 0.01 1 36 LEU HBy H 1 1.68 0.01 1 36 LEU HDx% H 1 0.53 0.01 1 36 LEU HDy% H 1 0.59 0.01 1 36 LEU HG H 1 1.63 0.01 1 36 LEU CDy C 13 25.2 0.1 1 36 LEU CDx C 13 21.8 0.1 1 36 LEU N N 15 119.0 0.1 1 37 THR H H 1 8.12 0.01 1 37 THR HA H 1 4.25 0.01 1 37 THR HB H 1 4.48 0.01 1 37 THR HG2% H 1 1.16 0.01 1 37 THR CA C 13 59.7 0.1 1 37 THR CG2 C 13 23.2 0.1 1 37 THR N N 15 113.1 0.1 1 38 PRO HA H 1 4.38 0.01 1 38 PRO HBx H 1 1.93 0.01 1 38 PRO HBy H 1 2.37 0.01 1 38 PRO HDx H 1 3.66 0.01 1 38 PRO HDy H 1 3.91 0.01 1 38 PRO HGx H 1 2.07 0.01 1 38 PRO HGy H 1 2.20 0.01 1 38 PRO CA C 13 64.7 0.1 1 38 PRO CD C 13 50.6 0.1 1 38 PRO CG C 13 27.8 0.1 1 39 GLY H H 1 8.82 0.01 1 39 GLY HAx H 1 3.67 0.01 1 39 GLY HAy H 1 4.28 0.01 1 39 GLY CA C 13 45.1 0.1 1 39 GLY N N 15 113.1 0.1 1 40 SER H H 1 8.20 0.01 1 40 SER HA H 1 4.52 0.01 1 40 SER HBx H 1 3.89 0.01 1 40 SER HBy H 1 4.36 0.01 1 40 SER CA C 13 59.0 0.1 1 40 SER CB C 13 63.7 0.1 1 40 SER N N 15 117.6 0.1 1 41 GLN H H 1 9.15 0.01 1 41 GLN HA H 1 4.07 0.01 1 41 GLN HBx H 1 0.57 0.01 1 41 GLN HBy H 1 0.99 0.01 1 41 GLN HE2x H 1 7.08 0.01 1 41 GLN HE2y H 1 7.79 0.01 1 41 GLN HG2 H 1 2.09 0.01 1 41 GLN HG3 H 1 2.09 0.01 1 41 GLN CA C 13 55.1 0.1 1 41 GLN CB C 13 30.1 0.1 1 41 GLN CG C 13 34.1 0.1 1 41 GLN N N 15 120.7 0.1 1 42 CYS H H 1 7.63 0.01 1 42 CYS HA H 1 4.53 0.01 1 42 CYS HBx H 1 3.17 0.01 1 42 CYS HBy H 1 3.89 0.01 1 42 CYS CA C 13 53.6 0.1 1 42 CYS N N 15 113.3 0.1 1 43 ASN H H 1 8.84 0.01 1 43 ASN HA H 1 4.88 0.01 1 43 ASN HBx H 1 2.48 0.01 1 43 ASN HBy H 1 2.61 0.01 1 43 ASN HD2x H 1 7.28 0.01 1 43 ASN HD2y H 1 8.06 0.01 1 43 ASN CA C 13 53.0 0.1 1 43 ASN N N 15 115.0 0.1 1 44 TYR H H 1 7.78 0.01 1 44 TYR HA H 1 4.92 0.01 1 44 TYR HBx H 1 3.00 0.01 1 44 TYR HBy H 1 3.11 0.01 1 44 TYR HD1 H 1 7.11 0.01 1 44 TYR HD2 H 1 7.11 0.01 1 44 TYR HE1 H 1 6.90 0.01 1 44 TYR HE2 H 1 6.90 0.01 1 44 TYR CA C 13 56.1 0.1 1 44 TYR CB C 13 41.0 0.1 1 44 TYR N N 15 117.4 0.1 1 45 GLY H H 1 8.13 0.01 1 45 GLY HAx H 1 3.85 0.01 1 45 GLY HAy H 1 4.77 0.01 1 45 GLY CA C 13 44.3 0.1 1 45 GLY N N 15 109.7 0.1 1 46 GLU H H 1 9.24 0.01 1 46 GLU HA H 1 4.30 0.01 1 46 GLU HBx H 1 2.08 0.01 1 46 GLU HBy H 1 2.25 0.01 1 46 GLU HG2 H 1 2.73 0.01 1 46 GLU HG3 H 1 2.73 0.01 1 46 GLU CA C 13 58.5 0.1 1 46 GLU CB C 13 29.3 0.1 1 46 GLU CG C 13 34.7 0.1 1 46 GLU N N 15 120.8 0.1 1 47 CYS H H 1 8.54 0.01 1 47 CYS HA H 1 4.86 0.01 1 47 CYS HBx H 1 2.43 0.01 1 47 CYS HBy H 1 3.88 0.01 1 47 CYS CA C 13 57.1 0.1 1 47 CYS CB C 13 41.2 0.1 1 47 CYS N N 15 112.4 0.1 1 48 CYS H H 1 7.85 0.01 1 48 CYS HA H 1 5.17 0.01 1 48 CYS HBx H 1 2.47 0.01 1 48 CYS HBy H 1 3.07 0.01 1 48 CYS CA C 13 54.7 0.1 1 48 CYS CB C 13 45.7 0.1 1 48 CYS N N 15 123.2 0.1 1 49 ASP H H 1 9.70 0.01 1 49 ASP HA H 1 4.93 0.01 1 49 ASP HBx H 1 2.52 0.01 1 49 ASP HBy H 1 2.75 0.01 1 49 ASP CA C 13 53.5 0.1 1 49 ASP CB C 13 42.4 0.1 1 49 ASP N N 15 127.7 0.1 1 50 GLN H H 1 9.50 0.01 1 50 GLN HA H 1 3.95 0.01 1 50 GLN HBx H 1 2.05 0.01 1 50 GLN HBy H 1 2.18 0.01 1 50 GLN HE2x H 1 6.87 0.01 1 50 GLN HE2y H 1 7.58 0.01 1 50 GLN HGx H 1 2.31 0.01 1 50 GLN HGy H 1 2.45 0.01 1 50 GLN CA C 13 56.8 0.1 1 50 GLN CB C 13 26.5 0.1 1 50 GLN CG C 13 33.9 0.1 1 50 GLN N N 15 126.8 0.1 1 50 GLN NE2 N 15 112.5 0.1 1 51 CYS H H 1 8.66 0.01 1 51 CYS HA H 1 4.64 0.01 1 51 CYS HBx H 1 3.31 0.01 1 51 CYS HBy H 1 3.78 0.01 1 51 CYS CB C 13 43.2 0.1 1 51 CYS N N 15 105.8 0.1 1 52 ARG H H 1 7.98 0.01 1 52 ARG HA H 1 4.68 0.01 1 52 ARG HBx H 1 1.74 0.01 1 52 ARG HBy H 1 1.94 0.01 1 52 ARG HDx H 1 3.19 0.01 1 52 ARG HDy H 1 3.23 0.01 1 52 ARG HE H 1 7.14 0.01 1 52 ARG HGx H 1 1.68 0.01 1 52 ARG HGy H 1 1.74 0.01 1 52 ARG HH11 H 1 6.60 0.01 1 52 ARG HH12 H 1 6.60 0.01 1 52 ARG HH21 H 1 6.60 0.01 1 52 ARG HH22 H 1 6.60 0.01 1 52 ARG CA C 13 55.3 0.1 1 52 ARG CB C 13 33.1 0.1 1 52 ARG CD C 13 42.5 0.1 1 52 ARG CG C 13 26.8 0.1 1 52 ARG N N 15 121.0 0.1 1 53 PHE H H 1 8.40 0.01 1 53 PHE HA H 1 5.04 0.01 1 53 PHE HBx H 1 2.66 0.01 1 53 PHE HBy H 1 3.05 0.01 1 53 PHE HD1 H 1 6.96 0.01 1 53 PHE HD2 H 1 6.96 0.01 1 53 PHE HE1 H 1 7.21 0.01 1 53 PHE HE2 H 1 7.21 0.01 1 53 PHE CA C 13 56.1 0.1 1 53 PHE CB C 13 38.2 0.1 1 53 PHE N N 15 120.3 0.1 1 54 LYS H H 1 8.53 0.01 1 54 LYS HA H 1 4.26 0.01 1 54 LYS HB2 H 1 1.87 0.01 1 54 LYS HB3 H 1 1.87 0.01 1 54 LYS HD2 H 1 2.00 0.01 1 54 LYS HD3 H 1 2.00 0.01 1 54 LYS HE2 H 1 2.90 0.01 1 54 LYS HE3 H 1 2.90 0.01 1 54 LYS HGx H 1 1.15 0.01 1 54 LYS HGy H 1 1.63 0.01 1 54 LYS HZ1 H 1 7.69 0.01 1 54 LYS HZ2 H 1 7.69 0.01 1 54 LYS HZ3 H 1 7.69 0.01 1 54 LYS CA C 13 57.5 0.1 1 54 LYS CB C 13 34.2 0.1 1 54 LYS CD C 13 30.7 0.1 1 54 LYS CE C 13 42.2 0.1 1 54 LYS CG C 13 27.9 0.1 1 54 LYS N N 15 123.3 0.1 1 55 LYS H H 1 8.44 0.01 1 55 LYS HA H 1 4.11 0.01 1 55 LYS HBx H 1 1.76 0.01 1 55 LYS HBy H 1 1.79 0.01 1 55 LYS HD2 H 1 1.75 0.01 1 55 LYS HD3 H 1 1.75 0.01 1 55 LYS HE2 H 1 3.07 0.01 1 55 LYS HE3 H 1 3.07 0.01 1 55 LYS HGx H 1 1.56 0.01 1 55 LYS HGy H 1 1.63 0.01 1 55 LYS CA C 13 56.5 0.1 1 55 LYS CB C 13 33.3 0.1 1 55 LYS CD C 13 29.1 0.1 1 55 LYS CE C 13 41.8 0.1 1 55 LYS CG C 13 24.6 0.1 1 55 LYS N N 15 119.4 0.1 1 56 ALA H H 1 8.93 0.01 1 56 ALA HA H 1 3.93 0.01 1 56 ALA HB% H 1 1.31 0.01 1 56 ALA CA C 13 52.9 0.1 1 56 ALA CB C 13 18.1 0.1 1 56 ALA N N 15 126.7 0.1 1 57 GLY H H 1 8.46 0.01 1 57 GLY HAx H 1 3.48 0.01 1 57 GLY HAy H 1 4.32 0.01 1 57 GLY CA C 13 45.1 0.1 1 57 GLY N N 15 109.3 0.1 1 58 THR H H 1 7.66 0.01 1 58 THR HA H 1 4.26 0.01 1 58 THR HB H 1 3.78 0.01 1 58 THR HG2% H 1 1.37 0.01 1 58 THR CA C 13 63.3 0.1 1 58 THR CB C 13 69.6 0.1 1 58 THR CG2 C 13 21.7 0.1 1 58 THR N N 15 117.2 0.1 1 59 VAL H H 1 9.19 0.01 1 59 VAL HA H 1 3.90 0.01 1 59 VAL HB H 1 2.06 0.01 1 59 VAL HGx% H 1 0.86 0.01 1 59 VAL HGy% H 1 1.05 0.01 1 59 VAL CA C 13 64.4 0.1 1 59 VAL CB C 13 31.9 0.1 1 59 VAL CGx C 13 20.8 0.1 1 59 VAL CGy C 13 22.6 0.1 1 59 VAL N N 15 130.4 0.1 1 60 CYS H H 1 9.13 0.01 1 60 CYS HA H 1 5.05 0.01 1 60 CYS HBx H 1 3.01 0.01 1 60 CYS HBy H 1 3.13 0.01 1 60 CYS CA C 13 54.4 0.1 1 60 CYS CB C 13 43.0 0.1 1 60 CYS N N 15 121.8 0.1 1 61 ARG H H 1 7.58 0.01 1 61 ARG HA H 1 4.36 0.01 1 61 ARG HBx H 1 1.65 0.01 1 61 ARG HBy H 1 1.80 0.01 1 61 ARG HDx H 1 2.75 0.01 1 61 ARG HDy H 1 3.05 0.01 1 61 ARG HE H 1 6.75 0.01 1 61 ARG HGx H 1 1.38 0.01 1 61 ARG HGy H 1 1.52 0.01 1 61 ARG HH11 H 1 5.98 0.01 1 61 ARG HH12 H 1 5.98 0.01 1 61 ARG HH21 H 1 5.98 0.01 1 61 ARG HH22 H 1 5.98 0.01 1 61 ARG N N 15 124.1 0.1 1 62 ILE H H 1 8.49 0.01 1 62 ILE HA H 1 4.09 0.01 1 62 ILE HB H 1 1.74 0.01 1 62 ILE HD1% H 1 0.81 0.01 1 62 ILE HG1x H 1 1.08 0.01 1 62 ILE HG1y H 1 1.38 0.01 1 62 ILE HG2% H 1 0.89 0.01 1 62 ILE CA C 13 60.3 0.1 1 62 ILE CB C 13 38.7 0.1 1 62 ILE CD1 C 13 12.8 0.1 1 62 ILE CG1 C 13 27.4 0.1 1 62 ILE CG2 C 13 17.4 0.1 1 62 ILE N N 15 126.2 0.1 1 63 ALA H H 1 8.10 0.01 1 63 ALA HA H 1 4.31 0.01 1 63 ALA HB% H 1 1.29 0.01 1 63 ALA CA C 13 51.9 0.1 1 63 ALA CB C 13 20.6 0.1 1 63 ALA N N 15 129.4 0.1 1 64 ARG H H 1 8.14 0.01 1 64 ARG HA H 1 4.29 0.01 1 64 ARG HBx H 1 1.80 0.01 1 64 ARG HBy H 1 1.89 0.01 1 64 ARG HD2 H 1 3.24 0.01 1 64 ARG HD3 H 1 3.24 0.01 1 64 ARG HE H 1 7.23 0.01 1 64 ARG HGx H 1 1.65 0.01 1 64 ARG HGy H 1 1.70 0.01 1 64 ARG CA C 13 56.2 0.1 1 64 ARG CB C 13 30.5 0.1 1 64 ARG CD C 13 43.2 0.1 1 64 ARG CG C 13 27.0 0.1 1 64 ARG N N 15 120.5 0.1 1 65 GLY H H 1 8.04 0.01 1 65 GLY HAx H 1 3.56 0.01 1 65 GLY HAy H 1 3.71 0.01 1 65 GLY CA C 13 45.1 0.1 1 65 GLY N N 15 110.5 0.1 1 66 ASP H H 1 8.38 0.01 1 66 ASP HA H 1 4.61 0.01 1 66 ASP HBx H 1 2.76 0.01 1 66 ASP HBy H 1 2.84 0.01 1 66 ASP CA C 13 53.3 0.1 1 66 ASP CB C 13 37.6 0.1 1 66 ASP N N 15 120.7 0.1 1 67 TRP H H 1 7.95 0.01 1 67 TRP HA H 1 4.76 0.01 1 67 TRP HBx H 1 3.35 0.01 1 67 TRP HBy H 1 3.44 0.01 1 67 TRP HD1 H 1 7.31 0.01 1 67 TRP HE1 H 1 10.18 0.01 1 67 TRP HE3 H 1 7.70 0.01 1 67 TRP HH2 H 1 7.28 0.01 1 67 TRP HZ2 H 1 7.51 0.01 1 67 TRP HZ3 H 1 7.21 0.01 1 67 TRP CA C 13 57.2 0.1 1 67 TRP CB C 13 29.1 0.1 1 67 TRP N N 15 120.1 0.1 1 67 TRP NE1 N 15 129.6 0.1 1 68 ASN H H 1 8.18 0.01 1 68 ASN HA H 1 4.79 0.01 1 68 ASN HBx H 1 2.63 0.01 1 68 ASN HBy H 1 2.88 0.01 1 68 ASN HD2x H 1 6.95 0.01 1 68 ASN HD2y H 1 7.59 0.01 1 68 ASN CA C 13 52.8 0.1 1 68 ASN CB C 13 39.3 0.1 1 68 ASN N N 15 118.4 0.1 1 68 ASN ND2 N 15 112.8 0.1 1 69 ASP H H 1 8.13 0.01 1 69 ASP HA H 1 4.62 0.01 1 69 ASP HBx H 1 2.56 0.01 1 69 ASP HBy H 1 2.68 0.01 1 69 ASP CA C 13 53.2 0.1 1 69 ASP CB C 13 38.0 0.1 1 69 ASP N N 15 118.5 0.1 1 70 ASP H H 1 8.14 0.01 1 70 ASP HA H 1 5.10 0.01 1 70 ASP HBx H 1 2.36 0.01 1 70 ASP HBy H 1 2.90 0.01 1 70 ASP CA C 13 52.5 0.1 1 70 ASP CB C 13 42.6 0.1 1 70 ASP N N 15 120.5 0.1 1 71 TYR H H 1 8.45 0.01 1 71 TYR HA H 1 5.21 0.01 1 71 TYR HB2 H 1 2.66 0.01 1 71 TYR HB3 H 1 2.66 0.01 1 71 TYR HD1 H 1 6.96 0.01 1 71 TYR HD2 H 1 6.96 0.01 1 71 TYR HE1 H 1 6.79 0.01 1 71 TYR HE2 H 1 6.79 0.01 1 71 TYR CA C 13 56.3 0.1 1 71 TYR CB C 13 42.2 0.1 1 71 TYR N N 15 118.9 0.1 1 72 CYS H H 1 9.33 0.01 1 72 CYS HA H 1 4.90 0.01 1 72 CYS HBx H 1 2.54 0.01 1 72 CYS HBy H 1 3.98 0.01 1 72 CYS CA C 13 53.4 0.1 1 72 CYS CB C 13 37.2 0.1 1 72 CYS N N 15 119.8 0.1 1 73 THR H H 1 9.98 0.01 1 73 THR HA H 1 4.44 0.01 1 73 THR HB H 1 4.47 0.01 1 73 THR HG2% H 1 1.42 0.01 1 73 THR CA C 13 62.3 0.1 1 73 THR CB C 13 71.3 0.1 1 73 THR CG2 C 13 21.2 0.1 1 73 THR N N 15 112.7 0.1 1 74 GLY H H 1 8.53 0.01 1 74 GLY HAx H 1 4.31 0.01 1 74 GLY HAy H 1 4.44 0.01 1 74 GLY CA C 13 45.3 0.1 1 74 GLY N N 15 111.5 0.1 1 75 LYS H H 1 7.88 0.01 1 75 LYS HA H 1 4.09 0.01 1 75 LYS HBx H 1 1.44 0.01 1 75 LYS HBy H 1 1.89 0.01 1 75 LYS HDx H 1 1.64 0.01 1 75 LYS HDy H 1 1.71 0.01 1 75 LYS HE2 H 1 3.01 0.01 1 75 LYS HE3 H 1 3.01 0.01 1 75 LYS HG2 H 1 1.24 0.01 1 75 LYS HG3 H 1 1.24 0.01 1 75 LYS HZ1 H 1 7.59 0.01 1 75 LYS HZ2 H 1 7.59 0.01 1 75 LYS HZ3 H 1 7.59 0.01 1 75 LYS CA C 13 55.1 0.1 1 75 LYS CB C 13 34.2 0.1 1 75 LYS CD C 13 29.1 0.1 1 75 LYS CE C 13 41.9 0.1 1 75 LYS CG C 13 24.3 0.1 1 75 LYS N N 15 115.8 0.1 1 76 SER H H 1 6.51 0.01 1 76 SER HA H 1 4.20 0.01 1 76 SER HBx H 1 3.65 0.01 1 76 SER HBy H 1 3.96 0.01 1 76 SER CA C 13 61.3 0.1 1 76 SER CB C 13 64.3 0.1 1 76 SER N N 15 111.0 0.1 1 77 SER H H 1 9.07 0.01 1 77 SER HA H 1 4.21 0.01 1 77 SER HBx H 1 3.90 0.01 1 77 SER HBy H 1 4.43 0.01 1 77 SER CA C 13 59.8 0.1 1 77 SER CB C 13 64.4 0.1 1 77 SER N N 15 117.3 0.1 1 78 ASP H H 1 8.34 0.01 1 78 ASP HA H 1 4.95 0.01 1 78 ASP HBx H 1 2.64 0.01 1 78 ASP HBy H 1 2.77 0.01 1 78 ASP CA C 13 52.4 0.1 1 78 ASP CB C 13 40.8 0.1 1 78 ASP N N 15 122.1 0.1 1 79 CYS H H 1 9.01 0.01 1 79 CYS HA H 1 5.32 0.01 1 79 CYS HBx H 1 2.63 0.01 1 79 CYS HBy H 1 2.94 0.01 1 79 CYS CA C 13 52.0 0.1 1 79 CYS CB C 13 39.3 0.1 1 79 CYS N N 15 122.3 0.1 1 80 PRO HA H 1 4.42 0.01 1 80 PRO HBx H 1 2.02 0.01 1 80 PRO HBy H 1 2.28 0.01 1 80 PRO HDx H 1 3.59 0.01 1 80 PRO HDy H 1 4.00 0.01 1 80 PRO HGx H 1 2.04 0.01 1 80 PRO HGy H 1 2.17 0.01 1 80 PRO CA C 13 63.5 0.1 1 80 PRO CB C 13 32.4 0.1 1 80 PRO CD C 13 51.9 0.1 1 80 PRO CG C 13 27.6 0.1 1 81 TRP H H 1 8.40 0.01 1 81 TRP HA H 1 4.55 0.01 1 81 TRP HBx H 1 3.04 0.01 1 81 TRP HBy H 1 3.27 0.01 1 81 TRP HD1 H 1 7.24 0.01 1 81 TRP HE1 H 1 10.00 0.01 1 81 TRP HE3 H 1 7.60 0.01 1 81 TRP HH2 H 1 7.18 0.01 1 81 TRP HZ2 H 1 7.43 0.01 1 81 TRP HZ3 H 1 7.08 0.01 1 81 TRP CA C 13 56.4 0.1 1 81 TRP CB C 13 29.5 0.1 1 81 TRP N N 15 120.5 0.1 1 81 TRP NE1 N 15 129.1 0.1 1 82 ASN H H 1 8.04 0.01 1 82 ASN HA H 1 4.75 0.01 1 82 ASN HB2 H 1 2.74 0.01 1 82 ASN HB3 H 1 2.74 0.01 1 82 ASN HD2x H 1 6.97 0.01 1 82 ASN HD2y H 1 7.66 0.01 1 82 ASN CA C 13 53.1 0.1 1 82 ASN CB C 13 39.0 0.1 1 82 ASN N N 15 120.4 0.1 1 82 ASN ND2 N 15 113.4 0.1 1 83 HIS H H 1 8.10 0.01 1 83 HIS HA H 1 4.52 0.01 1 83 HIS HBx H 1 3.02 0.01 1 83 HIS HBy H 1 3.18 0.01 1 83 HIS HD2 H 1 7.07 0.01 1 83 HIS HE1 H 1 8.39 0.01 1 83 HIS CA C 13 56.0 0.1 1 83 HIS CB C 13 29.2 0.1 1 83 HIS N N 15 122.2 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 1 SER HA 1 2 PRO HDx 1.0 0.0 4.0 2 1 1 1 SER HA 1 2 PRO HDy 1.0 0.0 4.0 3 2 1 1 SER HBy 1 2 PRO HBx 1.0 0.0 6.0 4 2 1 2 PRO HBy 1 1 SER HBx 1.0 0.0 6.0 5 2 1 1 SER HBy 1 2 PRO HBy 1.0 0.0 6.0 6 2 1 1 SER HBx 1 2 PRO HBx 1.0 0.0 6.0 7 3 1 1 SER HBy 1 2 PRO HGx 1.0 0.0 6.0 8 3 1 2 PRO HGy 1 1 SER HBx 1.0 0.0 6.0 9 3 1 1 SER HBy 1 2 PRO HGy 1.0 0.0 6.0 10 3 1 1 SER HBx 1 2 PRO HGx 1.0 0.0 6.0 11 4 1 1 SER HBx 1 2 PRO HDx 1.0 0.0 5.0 12 4 1 1 SER HBy 1 2 PRO HDx 1.0 0.0 5.0 13 4 1 2 PRO HDy 1 1 SER HBx 1.0 0.0 5.0 14 4 1 2 PRO HDy 1 1 SER HBy 1.0 0.0 5.0 15 5 1 2 PRO HA 1 3 PRO HDx 1.0 0.0 4.0 16 5 1 2 PRO HA 1 3 PRO HDy 1.0 0.0 4.0 17 6 1 3 PRO HA 1 4 VAL H 1.0 0.0 3.0 18 7 1 3 PRO HA 1 4 VAL HGx% 1.0 0.0 5.0 19 7 1 3 PRO HA 1 4 VAL HGy% 1.0 0.0 5.0 20 8 1 4 VAL H 1 3 PRO HBx 1.0 0.0 5.0 21 8 1 4 VAL H 1 3 PRO HBy 1.0 0.0 5.0 22 9 1 3 PRO HA 1 11 GLU H 1.0 0.0 6.0 23 10 1 3 PRO HA 1 11 GLU HBx 1.0 0.0 5.5 24 10 1 3 PRO HA 1 11 GLU HBy 1.0 0.0 5.5 25 11 1 3 PRO HA 1 11 GLU HG2 1.0 0.0 5.0 26 11 1 3 PRO HA 1 11 GLU HG3 1.0 0.0 5.0 27 12 1 3 PRO HBx 1 11 GLU HG2 1.0 0.0 6.0 28 12 1 3 PRO HBy 1 11 GLU HG2 1.0 0.0 6.0 29 12 1 11 GLU HG3 1 3 PRO HBx 1.0 0.0 6.0 30 12 1 3 PRO HBy 1 11 GLU HG3 1.0 0.0 6.0 31 13 1 3 PRO HA 1 12 GLN H 1.0 0.0 6.0 32 14 1 3 PRO HBy 1 12 GLN HBx 1.0 0.0 5.0 33 14 1 12 GLN HBy 1 3 PRO HBx 1.0 0.0 5.0 34 14 1 3 PRO HBy 1 12 GLN HBy 1.0 0.0 5.0 35 14 1 3 PRO HBx 1 12 GLN HBx 1.0 0.0 5.0 36 15 1 12 GLN H 1 3 PRO HDx 1.0 0.0 6.0 37 15 1 3 PRO HDy 1 12 GLN H 1.0 0.0 6.0 38 16 1 12 GLN HA 1 3 PRO HGx 1.0 0.0 5.0 39 16 1 3 PRO HGy 1 12 GLN HA 1.0 0.0 5.0 40 17 1 12 GLN HA 1 3 PRO HDx 1.0 0.0 5.0 41 17 1 3 PRO HDy 1 12 GLN HA 1.0 0.0 5.0 42 18 1 3 PRO HDy 1 12 GLN HBx 1.0 0.0 5.0 43 18 1 12 GLN HBy 1 3 PRO HDx 1.0 0.0 5.0 44 18 1 3 PRO HDy 1 12 GLN HBy 1.0 0.0 5.0 45 18 1 3 PRO HDx 1 12 GLN HBx 1.0 0.0 5.0 46 19 1 4 VAL H 1 4 VAL HA 1.0 0.0 5.0 47 20 1 4 VAL H 1 4 VAL HB 1.0 0.0 5.0 48 21 1 4 VAL H 1 4 VAL HGx% 1.0 0.0 5.0 49 21 1 4 VAL H 1 4 VAL HGy% 1.0 0.0 5.0 50 22 1 4 VAL H 1 5 CYS H 1.0 0.0 4.5 51 23 1 4 VAL HA 1 5 CYS H 1.0 0.0 3.0 52 24 1 4 VAL HA 1 5 CYS HA 1.0 0.0 5.0 53 25 1 4 VAL HA 1 5 CYS HBx 1.0 0.0 5.0 54 25 1 4 VAL HA 1 5 CYS HBy 1.0 0.0 5.0 55 26 1 4 VAL HB 1 5 CYS H 1.0 0.0 5.0 56 27 1 5 CYS H 1 4 VAL HGx% 1.0 0.0 5.0 57 27 1 4 VAL HGy% 1 5 CYS H 1.0 0.0 5.0 58 28 1 4 VAL HGx% 1 5 CYS HBx 1.0 0.0 6.0 59 28 1 4 VAL HGy% 1 5 CYS HBx 1.0 0.0 6.0 60 28 1 5 CYS HBy 1 4 VAL HGx% 1.0 0.0 6.0 61 28 1 4 VAL HGy% 1 5 CYS HBy 1.0 0.0 6.0 62 29 1 4 VAL HA 1 6 GLY H 1.0 0.0 6.0 63 30 1 4 VAL HA 1 6 GLY HAx 1.0 0.0 6.0 64 30 1 4 VAL HA 1 6 GLY HAy 1.0 0.0 6.0 65 31 1 6 GLY H 1 4 VAL HGx% 1.0 0.0 5.0 66 31 1 4 VAL HGy% 1 6 GLY H 1.0 0.0 5.0 67 32 1 4 VAL HGx% 1 6 GLY HAx 1.0 0.0 6.0 68 32 1 4 VAL HGy% 1 6 GLY HAx 1.0 0.0 6.0 69 32 1 6 GLY HAy 1 4 VAL HGx% 1.0 0.0 6.0 70 32 1 4 VAL HGy% 1 6 GLY HAy 1.0 0.0 6.0 71 33 1 4 VAL H 1 7 ASN HBx 1.0 0.0 5.0 72 33 1 4 VAL H 1 7 ASN HBy 1.0 0.0 5.0 73 34 1 4 VAL HB 1 7 ASN H 1.0 0.0 5.0 74 35 1 4 VAL HB 1 7 ASN HBx 1.0 0.0 5.0 75 35 1 4 VAL HB 1 7 ASN HBy 1.0 0.0 5.0 76 36 1 7 ASN H 1 4 VAL HGx% 1.0 0.0 5.0 77 36 1 4 VAL HGy% 1 7 ASN H 1.0 0.0 5.0 78 37 1 4 VAL HGx% 1 7 ASN HBx 1.0 0.0 5.0 79 37 1 4 VAL HGy% 1 7 ASN HBx 1.0 0.0 5.0 80 37 1 7 ASN HBy 1 4 VAL HGx% 1.0 0.0 5.0 81 37 1 4 VAL HGy% 1 7 ASN HBy 1.0 0.0 5.0 82 38 1 4 VAL H 1 9 ILE HG2% 1.0 0.0 5.0 83 39 1 4 VAL H 1 9 ILE H 1.0 0.0 5.0 84 40 1 4 VAL H 1 9 ILE HB 1.0 0.0 5.0 85 41 1 4 VAL H 1 9 ILE HG2% 1.0 0.0 6.0 86 42 1 4 VAL H 1 9 ILE HD1% 1.0 0.0 5.0 87 43 1 4 VAL HGy% 1 10 LEU HDx% 1.0 0.0 6.0 88 43 1 4 VAL HGx% 1 10 LEU HDx% 1.0 0.0 6.0 89 43 1 10 LEU HDy% 1 4 VAL HGx% 1.0 0.0 6.0 90 43 1 4 VAL HGy% 1 10 LEU HDy% 1.0 0.0 6.0 91 44 1 4 VAL H 1 11 GLU HG2 1.0 0.0 5.0 92 44 1 4 VAL H 1 11 GLU HG3 1.0 0.0 5.0 93 45 1 11 GLU HA 1 4 VAL HGx% 1.0 0.0 6.0 94 45 1 4 VAL HGy% 1 11 GLU HA 1.0 0.0 6.0 95 46 1 4 VAL H 1 12 GLN H 1.0 0.0 5.0 96 47 1 12 GLN H 1 4 VAL HA 1.0 0.0 5.0 97 48 1 12 GLN H 1 4 VAL HGx% 1.0 0.0 5.0 98 48 1 4 VAL HGy% 1 12 GLN H 1.0 0.0 5.0 99 49 1 5 CYS H 1 5 CYS HA 1.0 0.0 5.0 100 50 1 5 CYS H 1 5 CYS HBx 1.0 0.0 5.0 101 50 1 5 CYS H 1 5 CYS HBy 1.0 0.0 5.0 102 51 1 5 CYS H 1 6 GLY H 1.0 0.0 5.0 103 52 1 5 CYS HA 1 6 GLY H 1.0 0.0 3.0 104 53 1 5 CYS HA 1 6 GLY HAx 1.0 0.0 6.0 105 53 1 5 CYS HA 1 6 GLY HAy 1.0 0.0 6.0 106 54 1 6 GLY H 1 5 CYS HBx 1.0 0.0 5.0 107 54 1 5 CYS HBy 1 6 GLY H 1.0 0.0 5.0 108 55 1 5 CYS H 1 7 ASN H 1.0 0.0 6.0 109 56 1 5 CYS HA 1 7 ASN H 1.0 0.0 4.5 110 57 1 5 CYS HA 1 8 LYS H 1.0 0.0 5.0 111 58 1 11 GLU H 1 5 CYS HA 1.0 0.0 5.0 112 59 1 12 GLN H 1 5 CYS H 1.0 0.0 6.0 113 60 1 5 CYS HBy 1 34 CYS HBx 1.0 0.0 5.0 114 60 1 5 CYS HBx 1 34 CYS HBx 1.0 0.0 5.0 115 60 1 34 CYS HBy 1 5 CYS HBx 1.0 0.0 5.0 116 60 1 5 CYS HBy 1 34 CYS HBy 1.0 0.0 5.0 117 61 1 6 GLY H 1 6 GLY HAx 1.0 0.0 5.0 118 61 1 6 GLY H 1 6 GLY HAy 1.0 0.0 5.0 119 62 1 6 GLY H 1 7 ASN H 1.0 0.0 3.0 120 63 1 6 GLY H 1 7 ASN HA 1.0 0.0 6.0 121 64 1 7 ASN H 1 6 GLY HAx 1.0 0.0 5.0 122 64 1 6 GLY HAy 1 7 ASN H 1.0 0.0 5.0 123 65 1 6 GLY H 1 8 LYS H 1.0 0.0 5.0 124 66 1 8 LYS H 1 6 GLY HAx 1.0 0.0 5.0 125 66 1 6 GLY HAy 1 8 LYS H 1.0 0.0 5.0 126 67 1 6 GLY H 1 8 LYS HA 1.0 0.0 5.0 127 68 1 6 GLY H 1 9 ILE H 1.0 0.0 5.0 128 69 1 6 GLY H 1 17 ASP HA 1.0 0.0 6.0 129 70 1 6 GLY H 1 17 ASP HBx 1.0 0.0 6.0 130 70 1 6 GLY H 1 17 ASP HBy 1.0 0.0 6.0 131 71 1 6 GLY H 1 18 CYS H 1.0 0.0 6.0 132 72 1 6 GLY H 1 19 GLY H 1.0 0.0 6.0 133 73 1 19 GLY H 1 6 GLY HAx 1.0 0.0 5.0 134 73 1 6 GLY HAy 1 19 GLY H 1.0 0.0 5.0 135 74 1 20 SER H 1 6 GLY HAx 1.0 0.0 6.0 136 74 1 6 GLY HAy 1 20 SER H 1.0 0.0 6.0 137 75 1 7 ASN H 1 7 ASN HA 1.0 0.0 5.0 138 76 1 7 ASN H 1 7 ASN HBx 1.0 0.0 5.0 139 76 1 7 ASN HBy 1 7 ASN H 1.0 0.0 5.0 140 77 1 7 ASN H 1 7 ASN HD2y 1.0 0.0 5.0 141 77 1 7 ASN H 1 7 ASN HD2x 1.0 0.0 5.0 142 78 1 7 ASN H 1 8 LYS H 1.0 0.0 3.0 143 79 1 7 ASN H 1 8 LYS HA 1.0 0.0 4.0 144 80 1 8 LYS H 1 7 ASN HA 1.0 0.0 4.0 145 81 1 8 LYS H 1 7 ASN HBx 1.0 0.0 4.0 146 81 1 7 ASN HBy 1 8 LYS H 1.0 0.0 4.0 147 82 1 7 ASN H 1 9 ILE H 1.0 0.0 4.0 148 83 1 9 ILE H 1 7 ASN HBx 1.0 0.0 5.0 149 83 1 7 ASN HBy 1 9 ILE H 1.0 0.0 5.0 150 84 1 9 ILE HB 1 7 ASN HBx 1.0 0.0 5.0 151 84 1 7 ASN HBy 1 9 ILE HB 1.0 0.0 5.0 152 85 1 12 GLN H 1 7 ASN HBx 1.0 0.0 5.5 153 85 1 12 GLN H 1 7 ASN HBy 1.0 0.0 5.5 154 86 1 8 LYS H 1 8 LYS HA 1.0 0.0 5.0 155 87 1 8 LYS H 1 8 LYS HBx 1.0 0.0 5.0 156 87 1 8 LYS H 1 8 LYS HBy 1.0 0.0 5.0 157 88 1 8 LYS H 1 8 LYS HGx 1.0 0.0 5.0 158 88 1 8 LYS H 1 8 LYS HGy 1.0 0.0 5.0 159 89 1 9 ILE H 1 8 LYS H 1.0 0.0 4.0 160 90 1 9 ILE H 1 8 LYS HA 1.0 0.0 4.0 161 91 1 8 LYS HA 1 9 ILE HA 1.0 0.0 5.0 162 92 1 8 LYS HA 1 9 ILE HA 1.0 0.0 5.0 163 93 1 9 ILE H 1 8 LYS HBx 1.0 0.0 5.0 164 93 1 9 ILE H 1 8 LYS HBy 1.0 0.0 5.0 165 94 1 9 ILE H 1 8 LYS HGx 1.0 0.0 6.0 166 94 1 9 ILE H 1 8 LYS HGy 1.0 0.0 6.0 167 95 1 9 ILE H 1 8 LYS HDx 1.0 0.0 6.0 168 95 1 9 ILE H 1 8 LYS HDy 1.0 0.0 6.0 169 96 1 8 LYS H 1 10 LEU HDx% 1.0 0.0 6.5 170 96 1 10 LEU HDy% 1 8 LYS H 1.0 0.0 6.5 171 97 1 8 LYS HA 1 17 ASP HBx 1.0 0.0 5.0 172 97 1 8 LYS HA 1 17 ASP HBy 1.0 0.0 5.0 173 98 1 8 LYS H 1 18 CYS H 1.0 0.0 6.0 174 99 1 8 LYS H 1 18 CYS HA 1.0 0.0 5.0 175 100 1 8 LYS HA 1 18 CYS H 1.0 0.0 6.0 176 101 1 8 LYS HA 1 18 CYS HA 1.0 0.0 5.0 177 102 1 18 CYS HA 1 8 LYS HGx 1.0 0.0 5.0 178 102 1 8 LYS HGy 1 18 CYS HA 1.0 0.0 5.0 179 103 1 8 LYS H 1 19 GLY H 1.0 0.0 4.0 180 104 1 8 LYS H 1 19 GLY HAx 1.0 0.0 5.0 181 104 1 8 LYS H 1 19 GLY HAy 1.0 0.0 5.0 182 105 1 8 LYS HA 1 19 GLY H 1.0 0.0 5.0 183 106 1 8 LYS HA 1 19 GLY HAx 1.0 0.0 5.0 184 106 1 8 LYS HA 1 19 GLY HAy 1.0 0.0 5.0 185 107 1 19 GLY H 1 8 LYS HGx 1.0 0.0 5.0 186 107 1 19 GLY H 1 8 LYS HGy 1.0 0.0 5.0 187 108 1 8 LYS HGx 1 19 GLY HAx 1.0 0.0 6.0 188 108 1 8 LYS HGy 1 19 GLY HAx 1.0 0.0 6.0 189 108 1 19 GLY HAy 1 8 LYS HGx 1.0 0.0 6.0 190 108 1 8 LYS HGy 1 19 GLY HAy 1.0 0.0 6.0 191 109 1 19 GLY H 1 8 LYS HDx 1.0 0.0 6.0 192 109 1 19 GLY H 1 8 LYS HDy 1.0 0.0 6.0 193 110 1 8 LYS HDy 1 19 GLY HAx 1.0 0.0 6.0 194 110 1 8 LYS HDx 1 19 GLY HAx 1.0 0.0 6.0 195 110 1 19 GLY HAy 1 8 LYS HDx 1.0 0.0 6.0 196 110 1 8 LYS HDy 1 19 GLY HAy 1.0 0.0 6.0 197 111 1 8 LYS HA 1 20 SER H 1.0 0.0 6.0 198 112 1 20 SER H 1 8 LYS HGx 1.0 0.0 5.0 199 112 1 20 SER H 1 8 LYS HGy 1.0 0.0 5.0 200 113 1 20 SER H 1 8 LYS HDx 1.0 0.0 6.0 201 113 1 20 SER H 1 8 LYS HDy 1.0 0.0 6.0 202 114 1 9 ILE H 1 9 ILE HA 1.0 0.0 5.0 203 115 1 9 ILE H 1 9 ILE HB 1.0 0.0 5.0 204 116 1 9 ILE H 1 9 ILE HG1x 1.0 0.0 5.0 205 116 1 9 ILE H 1 9 ILE HG1y 1.0 0.0 5.0 206 117 1 9 ILE HG2% 1 9 ILE H 1.0 0.0 5.0 207 118 1 9 ILE H 1 9 ILE HD1% 1.0 0.0 5.0 208 119 1 9 ILE H 1 10 LEU H 1.0 0.0 5.0 209 120 1 9 ILE H 1 10 LEU HDx% 1.0 0.0 5.0 210 120 1 9 ILE H 1 10 LEU HDy% 1.0 0.0 5.0 211 121 1 9 ILE HA 1 10 LEU H 1.0 0.0 3.5 212 122 1 9 ILE HA 1 10 LEU HDx% 1.0 0.0 5.0 213 122 1 10 LEU HDy% 1 9 ILE HA 1.0 0.0 5.0 214 123 1 9 ILE HB 1 10 LEU H 1.0 0.0 5.0 215 124 1 9 ILE HB 1 10 LEU HDx% 1.0 0.0 6.0 216 124 1 9 ILE HB 1 10 LEU HDy% 1.0 0.0 6.0 217 125 1 10 LEU H 1 9 ILE HG1x 1.0 0.0 5.0 218 125 1 9 ILE HG1y 1 10 LEU H 1.0 0.0 5.0 219 126 1 9 ILE HG2% 1 10 LEU H 1.0 0.0 5.0 220 127 1 9 ILE HG2% 1 10 LEU HBx 1.0 0.0 6.0 221 127 1 9 ILE HG2% 1 10 LEU HBy 1.0 0.0 6.0 222 128 1 9 ILE HD1% 1 10 LEU H 1.0 0.0 6.0 223 129 1 9 ILE HD1% 1 10 LEU HDx% 1.0 0.0 6.0 224 129 1 9 ILE HD1% 1 10 LEU HDy% 1.0 0.0 6.0 225 130 1 11 GLU H 1 9 ILE HB 1.0 0.0 5.0 226 131 1 9 ILE HB 1 11 GLU HG2 1.0 0.0 6.0 227 131 1 11 GLU HG3 1 9 ILE HB 1.0 0.0 6.0 228 132 1 11 GLU H 1 9 ILE HG1x 1.0 0.0 6.0 229 132 1 11 GLU H 1 9 ILE HG1y 1.0 0.0 6.0 230 133 1 11 GLU H 1 9 ILE HG2% 1.0 0.0 6.0 231 134 1 9 ILE HG2% 1 11 GLU HA 1.0 0.0 5.0 232 135 1 9 ILE HG2% 1 11 GLU HBx 1.0 0.0 5.0 233 135 1 11 GLU HBy 1 9 ILE HG2% 1.0 0.0 5.0 234 136 1 9 ILE HG2% 1 11 GLU HG2 1.0 0.0 5.0 235 136 1 11 GLU HG3 1 9 ILE HG2% 1.0 0.0 5.0 236 137 1 12 GLN H 1 9 ILE HG1x 1.0 0.0 5.0 237 137 1 12 GLN H 1 9 ILE HG1y 1.0 0.0 5.0 238 138 1 12 GLN H 1 9 ILE HB 1.0 0.0 5.0 239 139 1 12 GLN H 1 9 ILE HG2% 1.0 0.0 6.0 240 140 1 9 ILE HG2% 1 12 GLN HBx 1.0 0.0 6.0 241 140 1 12 GLN HBy 1 9 ILE HG2% 1.0 0.0 6.0 242 141 1 12 GLN H 1 9 ILE HD1% 1.0 0.0 5.0 243 142 1 9 ILE H 1 17 ASP H 1.0 0.0 6.0 244 143 1 9 ILE H 1 17 ASP HBx 1.0 0.0 6.0 245 143 1 9 ILE H 1 17 ASP HBy 1.0 0.0 6.0 246 144 1 10 LEU H 1 10 LEU HA 1.0 0.0 5.0 247 145 1 10 LEU H 1 10 LEU HBx 1.0 0.0 5.0 248 145 1 10 LEU H 1 10 LEU HBy 1.0 0.0 5.0 249 146 1 10 LEU H 1 10 LEU HG 1.0 0.0 5.0 250 147 1 10 LEU H 1 10 LEU HDx% 1.0 0.0 5.0 251 147 1 10 LEU HDy% 1 10 LEU H 1.0 0.0 5.0 252 148 1 11 GLU H 1 10 LEU H 1.0 0.0 5.0 253 149 1 11 GLU HA 1 10 LEU H 1.0 0.0 6.0 254 150 1 11 GLU H 1 10 LEU HA 1.0 0.0 4.0 255 151 1 10 LEU HA 1 11 GLU HBx 1.0 0.0 5.0 256 151 1 11 GLU HBy 1 10 LEU HA 1.0 0.0 5.0 257 152 1 11 GLU H 1 10 LEU HBx 1.0 0.0 5.0 258 152 1 11 GLU H 1 10 LEU HBy 1.0 0.0 5.0 259 153 1 11 GLU H 1 10 LEU HG 1.0 0.0 5.0 260 154 1 11 GLU H 1 10 LEU HDx% 1.0 0.0 5.0 261 154 1 11 GLU H 1 10 LEU HDy% 1.0 0.0 5.0 262 155 1 11 GLU HA 1 10 LEU HDx% 1.0 0.0 6.0 263 155 1 10 LEU HDy% 1 11 GLU HA 1.0 0.0 6.0 264 156 1 10 LEU HDy% 1 11 GLU HBx 1.0 0.0 5.0 265 156 1 10 LEU HDx% 1 11 GLU HBx 1.0 0.0 5.0 266 156 1 11 GLU HBy 1 10 LEU HDx% 1.0 0.0 5.0 267 156 1 11 GLU HBy 1 10 LEU HDy% 1.0 0.0 5.0 268 157 1 10 LEU HDy% 1 11 GLU HG2 1.0 0.0 6.0 269 157 1 10 LEU HDx% 1 11 GLU HG2 1.0 0.0 6.0 270 157 1 11 GLU HG3 1 10 LEU HDx% 1.0 0.0 6.0 271 157 1 11 GLU HG3 1 10 LEU HDy% 1.0 0.0 6.0 272 158 1 12 GLN H 1 10 LEU H 1.0 0.0 6.0 273 159 1 12 GLN H 1 10 LEU HDx% 1.0 0.0 6.0 274 159 1 12 GLN H 1 10 LEU HDy% 1.0 0.0 6.0 275 160 1 10 LEU HA 1 14 GLU HGx 1.0 0.0 6.0 276 160 1 10 LEU HA 1 14 GLU HGy 1.0 0.0 6.0 277 161 1 10 LEU HDx% 1 14 GLU HBx 1.0 0.0 6.0 278 161 1 10 LEU HDy% 1 14 GLU HBx 1.0 0.0 6.0 279 161 1 14 GLU HBy 1 10 LEU HDx% 1.0 0.0 6.0 280 161 1 10 LEU HDy% 1 14 GLU HBy 1.0 0.0 6.0 281 162 1 10 LEU HDy% 1 14 GLU HGx 1.0 0.0 6.0 282 162 1 10 LEU HDx% 1 14 GLU HGx 1.0 0.0 6.0 283 162 1 14 GLU HGy 1 10 LEU HDx% 1.0 0.0 6.0 284 162 1 10 LEU HDy% 1 14 GLU HGy 1.0 0.0 6.0 285 163 1 14 GLU H 1 10 LEU HDx% 1.0 0.0 6.0 286 163 1 10 LEU HDy% 1 14 GLU H 1.0 0.0 6.0 287 164 1 15 ASP H 1 10 LEU HDx% 1.0 0.0 6.0 288 164 1 10 LEU HDy% 1 15 ASP H 1.0 0.0 6.0 289 165 1 10 LEU H 1 16 CYS H 1.0 0.0 6.0 290 166 1 16 CYS H 1 10 LEU HDx% 1.0 0.0 5.0 291 166 1 10 LEU HDy% 1 16 CYS H 1.0 0.0 5.0 292 167 1 16 CYS HA 1 10 LEU HDx% 1.0 0.0 5.0 293 167 1 10 LEU HDy% 1 16 CYS HA 1.0 0.0 5.0 294 168 1 10 LEU HDx% 1 16 CYS HBx 1.0 0.0 5.0 295 168 1 10 LEU HDy% 1 16 CYS HBx 1.0 0.0 5.0 296 168 1 16 CYS HBy 1 10 LEU HDx% 1.0 0.0 5.0 297 168 1 10 LEU HDy% 1 16 CYS HBy 1.0 0.0 5.0 298 169 1 10 LEU H 1 17 ASP H 1.0 0.0 6.0 299 170 1 10 LEU H 1 17 ASP HBx 1.0 0.0 6.0 300 170 1 17 ASP HBy 1 10 LEU H 1.0 0.0 6.0 301 171 1 10 LEU HA 1 17 ASP HBx 1.0 0.0 5.0 302 171 1 17 ASP HBy 1 10 LEU HA 1.0 0.0 5.0 303 172 1 17 ASP H 1 10 LEU HDx% 1.0 0.0 5.0 304 172 1 10 LEU HDy% 1 17 ASP H 1.0 0.0 5.0 305 173 1 10 LEU HBy 1 17 ASP HBx 1.0 0.0 5.0 306 173 1 10 LEU HBx 1 17 ASP HBx 1.0 0.0 5.0 307 173 1 17 ASP HBy 1 10 LEU HBx 1.0 0.0 5.0 308 173 1 17 ASP HBy 1 10 LEU HBy 1.0 0.0 5.0 309 174 1 10 LEU HDy% 1 17 ASP HBx 1.0 0.0 5.0 310 174 1 17 ASP HBy 1 10 LEU HDx% 1.0 0.0 5.0 311 174 1 10 LEU HDy% 1 17 ASP HBy 1.0 0.0 5.0 312 174 1 10 LEU HDx% 1 17 ASP HBx 1.0 0.0 5.0 313 175 1 18 CYS H 1 10 LEU HDx% 1.0 0.0 6.0 314 175 1 10 LEU HDy% 1 18 CYS H 1.0 0.0 6.0 315 176 1 10 LEU HDy% 1 43 ASN HD2y 1.0 0.0 6.0 316 176 1 10 LEU HDx% 1 43 ASN HD2y 1.0 0.0 6.0 317 176 1 43 ASN HD2x 1 10 LEU HDx% 1.0 0.0 6.0 318 176 1 10 LEU HDy% 1 43 ASN HD2x 1.0 0.0 6.0 319 177 1 44 TYR HD% 1 10 LEU HDx% 1.0 0.0 6.0 320 177 1 10 LEU HDy% 1 44 TYR HD% 1.0 0.0 6.0 321 178 1 44 TYR HE% 1 10 LEU HDx% 1.0 0.0 6.0 322 178 1 10 LEU HDy% 1 44 TYR HE% 1.0 0.0 6.0 323 179 1 11 GLU H 1 11 GLU HA 1.0 0.0 5.0 324 180 1 11 GLU H 1 11 GLU HBx 1.0 0.0 5.0 325 180 1 11 GLU H 1 11 GLU HBy 1.0 0.0 5.0 326 181 1 11 GLU H 1 11 GLU HG2 1.0 0.0 5.0 327 181 1 11 GLU H 1 11 GLU HG3 1.0 0.0 5.0 328 182 1 11 GLU H 1 12 GLN H 1.0 0.0 4.0 329 183 1 12 GLN H 1 11 GLU HA 1.0 0.0 4.0 330 184 1 12 GLN H 1 11 GLU HBx 1.0 0.0 5.0 331 184 1 11 GLU HBy 1 12 GLN H 1.0 0.0 5.0 332 185 1 12 GLN H 1 11 GLU HG2 1.0 0.0 4.0 333 185 1 11 GLU HG3 1 12 GLN H 1.0 0.0 4.0 334 186 1 11 GLU H 1 14 GLU H 1.0 0.0 5.0 335 187 1 11 GLU H 1 14 GLU HBx 1.0 0.0 5.5 336 187 1 11 GLU H 1 14 GLU HBy 1.0 0.0 5.5 337 188 1 11 GLU H 1 14 GLU HGx 1.0 0.0 5.5 338 188 1 11 GLU H 1 14 GLU HGy 1.0 0.0 5.5 339 189 1 11 GLU H 1 16 CYS H 1.0 0.0 6.0 340 190 1 11 GLU H 1 17 ASP H 1.0 0.0 6.0 341 191 1 11 GLU H 1 17 ASP HBx 1.0 0.0 5.0 342 191 1 11 GLU H 1 17 ASP HBy 1.0 0.0 5.0 343 192 1 11 GLU H 1 34 CYS HBx 1.0 0.0 6.0 344 192 1 11 GLU H 1 34 CYS HBy 1.0 0.0 6.0 345 193 1 12 GLN H 1 12 GLN HA 1.0 0.0 5.0 346 194 1 12 GLN H 1 12 GLN HBx 1.0 0.0 5.0 347 194 1 12 GLN H 1 12 GLN HBy 1.0 0.0 5.0 348 195 1 12 GLN H 1 12 GLN HG2 1.0 0.0 5.0 349 195 1 12 GLN H 1 12 GLN HG3 1.0 0.0 5.0 350 196 1 12 GLN H 1 13 GLY H 1.0 0.0 5.0 351 197 1 12 GLN HA 1 13 GLY H 1.0 0.0 3.5 352 198 1 12 GLN HA 1 13 GLY HAx 1.0 0.0 5.0 353 198 1 12 GLN HA 1 13 GLY HAy 1.0 0.0 5.0 354 199 1 13 GLY H 1 12 GLN HBx 1.0 0.0 5.0 355 199 1 12 GLN HBy 1 13 GLY H 1.0 0.0 5.0 356 200 1 13 GLY H 1 12 GLN HG2 1.0 0.0 5.0 357 200 1 12 GLN HG3 1 13 GLY H 1.0 0.0 5.0 358 201 1 12 GLN H 1 14 GLU H 1.0 0.0 6.0 359 202 1 12 GLN HA 1 14 GLU H 1.0 0.0 5.0 360 203 1 12 GLN HA 1 14 GLU HBx 1.0 0.0 6.0 361 203 1 12 GLN HA 1 14 GLU HBy 1.0 0.0 6.0 362 204 1 12 GLN HA 1 14 GLU HGx 1.0 0.0 6.0 363 204 1 12 GLN HA 1 14 GLU HGy 1.0 0.0 6.0 364 205 1 12 GLN HBx 1 14 GLU HBx 1.0 0.0 6.0 365 205 1 12 GLN HBy 1 14 GLU HBx 1.0 0.0 6.0 366 205 1 14 GLU HBy 1 12 GLN HBx 1.0 0.0 6.0 367 205 1 12 GLN HBy 1 14 GLU HBy 1.0 0.0 6.0 368 206 1 12 GLN H 1 17 ASP HBx 1.0 0.0 6.0 369 206 1 12 GLN H 1 17 ASP HBy 1.0 0.0 6.0 370 207 1 13 GLY H 1 13 GLY HAx 1.0 0.0 5.0 371 207 1 13 GLY H 1 13 GLY HAy 1.0 0.0 5.0 372 208 1 14 GLU H 1 13 GLY H 1.0 0.0 4.0 373 209 1 13 GLY H 1 14 GLU HA 1.0 0.0 6.0 374 210 1 14 GLU H 1 13 GLY HAx 1.0 0.0 5.0 375 210 1 14 GLU H 1 13 GLY HAy 1.0 0.0 5.0 376 211 1 14 GLU H 1 14 GLU HA 1.0 0.0 5.0 377 212 1 14 GLU H 1 14 GLU HBx 1.0 0.0 5.0 378 212 1 14 GLU HBy 1 14 GLU H 1.0 0.0 5.0 379 213 1 14 GLU H 1 14 GLU HGx 1.0 0.0 5.0 380 213 1 14 GLU HGy 1 14 GLU H 1.0 0.0 5.0 381 214 1 14 GLU H 1 15 ASP H 1.0 0.0 5.0 382 215 1 15 ASP H 1 14 GLU HA 1.0 0.0 4.0 383 216 1 15 ASP H 1 14 GLU HBx 1.0 0.0 5.0 384 216 1 14 GLU HBy 1 15 ASP H 1.0 0.0 5.0 385 217 1 15 ASP H 1 14 GLU HGx 1.0 0.0 5.0 386 217 1 14 GLU HGy 1 15 ASP H 1.0 0.0 5.0 387 218 1 14 GLU H 1 16 CYS H 1.0 0.0 6.0 388 219 1 16 CYS H 1 14 GLU HA 1.0 0.0 5.0 389 220 1 16 CYS H 1 14 GLU HBx 1.0 0.0 5.0 390 220 1 14 GLU HBy 1 16 CYS H 1.0 0.0 5.0 391 221 1 16 CYS H 1 14 GLU HGx 1.0 0.0 5.0 392 221 1 14 GLU HGy 1 16 CYS H 1.0 0.0 5.0 393 222 1 14 GLU HA 1 34 CYS HBx 1.0 0.0 5.0 394 222 1 34 CYS HBy 1 14 GLU HA 1.0 0.0 5.0 395 223 1 14 GLU HBx 1 34 CYS HBx 1.0 0.0 5.0 396 223 1 14 GLU HBy 1 34 CYS HBx 1.0 0.0 5.0 397 223 1 34 CYS HBy 1 14 GLU HBx 1.0 0.0 5.0 398 223 1 34 CYS HBy 1 14 GLU HBy 1.0 0.0 5.0 399 224 1 14 GLU HGy 1 34 CYS HBx 1.0 0.0 5.0 400 224 1 34 CYS HBy 1 14 GLU HGx 1.0 0.0 5.0 401 224 1 34 CYS HBy 1 14 GLU HGy 1.0 0.0 5.0 402 224 1 14 GLU HGx 1 34 CYS HBx 1.0 0.0 5.0 403 225 1 15 ASP H 1 15 ASP HA 1.0 0.0 5.0 404 226 1 15 ASP H 1 15 ASP HBx 1.0 0.0 5.0 405 226 1 15 ASP H 1 15 ASP HBy 1.0 0.0 5.0 406 227 1 15 ASP H 1 16 CYS H 1.0 0.0 3.0 407 228 1 16 CYS H 1 15 ASP HA 1.0 0.0 5.0 408 229 1 16 CYS H 1 15 ASP HBx 1.0 0.0 5.0 409 229 1 16 CYS H 1 15 ASP HBy 1.0 0.0 5.0 410 230 1 15 ASP H 1 17 ASP HBx 1.0 0.0 5.0 411 230 1 17 ASP HBy 1 15 ASP H 1.0 0.0 5.0 412 231 1 15 ASP H 1 34 CYS HA 1.0 0.0 6.0 413 232 1 15 ASP H 1 34 CYS HBx 1.0 0.0 5.5 414 232 1 34 CYS HBy 1 15 ASP H 1.0 0.0 5.5 415 233 1 15 ASP H 1 35 LYS H 1.0 0.0 6.0 416 234 1 15 ASP H 1 35 LYS HA 1.0 0.0 5.0 417 235 1 35 LYS H 1 15 ASP HBx 1.0 0.0 6.0 418 235 1 15 ASP HBy 1 35 LYS H 1.0 0.0 6.0 419 236 1 35 LYS HA 1 15 ASP HBx 1.0 0.0 5.0 420 236 1 15 ASP HBy 1 35 LYS HA 1.0 0.0 5.0 421 237 1 15 ASP HA 1 36 LEU HDx% 1.0 0.0 6.0 422 237 1 15 ASP HA 1 36 LEU HDy% 1.0 0.0 6.0 423 238 1 36 LEU H 1 15 ASP HBx 1.0 0.0 4.5 424 238 1 15 ASP HBy 1 36 LEU H 1.0 0.0 4.5 425 239 1 15 ASP HBy 1 36 LEU HBx 1.0 0.0 5.0 426 239 1 15 ASP HBx 1 36 LEU HBx 1.0 0.0 5.0 427 239 1 36 LEU HBy 1 15 ASP HBx 1.0 0.0 5.0 428 239 1 15 ASP HBy 1 36 LEU HBy 1.0 0.0 5.0 429 240 1 36 LEU HG 1 15 ASP HBx 1.0 0.0 5.0 430 240 1 15 ASP HBy 1 36 LEU HG 1.0 0.0 5.0 431 241 1 15 ASP HBy 1 36 LEU HDx% 1.0 0.0 5.0 432 241 1 15 ASP HBx 1 36 LEU HDx% 1.0 0.0 5.0 433 241 1 36 LEU HDy% 1 15 ASP HBx 1.0 0.0 5.0 434 241 1 15 ASP HBy 1 36 LEU HDy% 1.0 0.0 5.0 435 242 1 16 CYS H 1 16 CYS HA 1.0 0.0 5.0 436 243 1 16 CYS H 1 16 CYS HBx 1.0 0.0 5.0 437 243 1 16 CYS H 1 16 CYS HBy 1.0 0.0 5.0 438 244 1 17 ASP H 1 16 CYS H 1.0 0.0 5.0 439 245 1 17 ASP H 1 16 CYS HA 1.0 0.0 2.5 440 246 1 17 ASP H 1 16 CYS HBx 1.0 0.0 4.0 441 246 1 17 ASP H 1 16 CYS HBy 1.0 0.0 4.0 442 247 1 29 CYS H 1 16 CYS HBx 1.0 0.0 6.0 443 247 1 16 CYS HBy 1 29 CYS H 1.0 0.0 6.0 444 248 1 16 CYS HBy 1 29 CYS HBx 1.0 0.0 5.0 445 248 1 16 CYS HBx 1 29 CYS HBx 1.0 0.0 5.0 446 248 1 29 CYS HBy 1 16 CYS HBx 1.0 0.0 5.0 447 248 1 16 CYS HBy 1 29 CYS HBy 1.0 0.0 5.0 448 249 1 16 CYS HA 1 33 THR HG2% 1.0 0.0 6.0 449 250 1 16 CYS H 1 34 CYS H 1.0 0.0 6.0 450 251 1 16 CYS H 1 34 CYS HA 1.0 0.0 5.0 451 252 1 16 CYS H 1 34 CYS HBx 1.0 0.0 5.5 452 252 1 34 CYS HBy 1 16 CYS H 1.0 0.0 5.5 453 253 1 16 CYS HBx 1 34 CYS HBx 1.0 0.0 6.0 454 253 1 16 CYS HBy 1 34 CYS HBx 1.0 0.0 6.0 455 253 1 34 CYS HBy 1 16 CYS HBx 1.0 0.0 6.0 456 253 1 34 CYS HBy 1 16 CYS HBy 1.0 0.0 6.0 457 254 1 16 CYS H 1 35 LYS HA 1.0 0.0 5.0 458 255 1 16 CYS H 1 36 LEU HG 1.0 0.0 6.0 459 256 1 16 CYS H 1 36 LEU HDx% 1.0 0.0 6.0 460 256 1 16 CYS H 1 36 LEU HDy% 1.0 0.0 6.0 461 257 1 16 CYS HA 1 36 LEU HDx% 1.0 0.0 6.0 462 257 1 16 CYS HA 1 36 LEU HDy% 1.0 0.0 6.0 463 258 1 16 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 464 258 1 16 CYS HBx 1 36 LEU HDx% 1.0 0.0 6.0 465 258 1 36 LEU HDy% 1 16 CYS HBx 1.0 0.0 6.0 466 258 1 16 CYS HBy 1 36 LEU HDy% 1.0 0.0 6.0 467 259 1 16 CYS HA 1 43 ASN HD2y 1.0 0.0 5.0 468 259 1 16 CYS HA 1 43 ASN HD2x 1.0 0.0 5.0 469 260 1 16 CYS HBy 1 43 ASN HD2y 1.0 0.0 5.0 470 260 1 16 CYS HBx 1 43 ASN HD2y 1.0 0.0 5.0 471 260 1 43 ASN HD2x 1 16 CYS HBx 1.0 0.0 5.0 472 260 1 16 CYS HBy 1 43 ASN HD2x 1.0 0.0 5.0 473 261 1 16 CYS HA 1 44 TYR HD% 1.0 0.0 6.0 474 262 1 16 CYS HA 1 44 TYR HE% 1.0 0.0 6.0 475 263 1 17 ASP HA 1 17 ASP H 1.0 0.0 5.0 476 264 1 17 ASP H 1 17 ASP HBx 1.0 0.0 5.0 477 264 1 17 ASP HBy 1 17 ASP H 1.0 0.0 5.0 478 265 1 18 CYS H 1 17 ASP H 1.0 0.0 5.0 479 266 1 18 CYS HA 1 17 ASP H 1.0 0.0 6.0 480 267 1 17 ASP HA 1 18 CYS H 1.0 0.0 3.0 481 268 1 18 CYS H 1 17 ASP HBx 1.0 0.0 5.0 482 268 1 17 ASP HBy 1 18 CYS H 1.0 0.0 5.0 483 269 1 17 ASP HA 1 31 ALA HA 1.0 0.0 5.0 484 270 1 17 ASP H 1 36 LEU HDx% 1.0 0.0 6.0 485 270 1 17 ASP H 1 36 LEU HDy% 1.0 0.0 6.0 486 271 1 17 ASP H 1 43 ASN HD2y 1.0 0.0 6.0 487 271 1 17 ASP H 1 43 ASN HD2x 1.0 0.0 6.0 488 272 1 17 ASP H 1 44 TYR HE% 1.0 0.0 6.0 489 273 1 18 CYS H 1 18 CYS HA 1.0 0.0 5.0 490 274 1 18 CYS H 1 18 CYS HBx 1.0 0.0 5.0 491 274 1 18 CYS H 1 18 CYS HBy 1.0 0.0 5.0 492 275 1 18 CYS H 1 19 GLY H 1.0 0.0 4.5 493 276 1 18 CYS H 1 19 GLY HAx 1.0 0.0 5.0 494 276 1 18 CYS H 1 19 GLY HAy 1.0 0.0 5.0 495 277 1 19 GLY H 1 18 CYS HA 1.0 0.0 4.0 496 278 1 19 GLY H 1 18 CYS HBx 1.0 0.0 5.0 497 278 1 19 GLY H 1 18 CYS HBy 1.0 0.0 5.0 498 279 1 18 CYS HA 1 19 GLY HAx 1.0 0.0 5.0 499 279 1 18 CYS HA 1 19 GLY HAy 1.0 0.0 5.0 500 280 1 20 SER H 1 18 CYS HA 1.0 0.0 6.0 501 281 1 18 CYS HBy 1 24 CYS HBx 1.0 0.0 5.0 502 281 1 18 CYS HBx 1 24 CYS HBx 1.0 0.0 5.0 503 281 1 24 CYS HBy 1 18 CYS HBx 1.0 0.0 5.0 504 281 1 18 CYS HBy 1 24 CYS HBy 1.0 0.0 5.0 505 282 1 18 CYS HA 1 25 GLN H 1.0 0.0 5.0 506 283 1 18 CYS HA 1 25 GLN H 1.0 0.0 5.0 507 284 1 25 GLN H 1 18 CYS HBx 1.0 0.0 5.0 508 284 1 18 CYS HBy 1 25 GLN H 1.0 0.0 5.0 509 285 1 18 CYS HA 1 26 ASP H 1.0 0.0 6.0 510 286 1 18 CYS HA 1 26 ASP HBx 1.0 0.0 6.0 511 286 1 18 CYS HA 1 26 ASP HBy 1.0 0.0 6.0 512 287 1 26 ASP H 1 18 CYS HBx 1.0 0.0 5.0 513 287 1 18 CYS HBy 1 26 ASP H 1.0 0.0 5.0 514 288 1 18 CYS HBy 1 26 ASP HBx 1.0 0.0 5.0 515 288 1 18 CYS HBx 1 26 ASP HBx 1.0 0.0 5.0 516 288 1 26 ASP HBy 1 18 CYS HBx 1.0 0.0 5.0 517 288 1 18 CYS HBy 1 26 ASP HBy 1.0 0.0 5.0 518 289 1 18 CYS HBy 1 29 CYS HBx 1.0 0.0 6.0 519 289 1 18 CYS HBx 1 29 CYS HBx 1.0 0.0 6.0 520 289 1 29 CYS HBy 1 18 CYS HBx 1.0 0.0 6.0 521 289 1 29 CYS HBy 1 18 CYS HBy 1.0 0.0 6.0 522 290 1 18 CYS H 1 31 ALA HA 1.0 0.0 6.0 523 291 1 18 CYS H 1 31 ALA HB% 1.0 0.0 5.0 524 292 1 31 ALA HB% 1 18 CYS HBx 1.0 0.0 6.0 525 292 1 18 CYS HBy 1 31 ALA HB% 1.0 0.0 6.0 526 293 1 19 GLY H 1 19 GLY HAx 1.0 0.0 5.0 527 293 1 19 GLY H 1 19 GLY HAy 1.0 0.0 5.0 528 294 1 19 GLY H 1 20 SER H 1.0 0.0 5.0 529 295 1 20 SER H 1 19 GLY HAx 1.0 0.0 4.0 530 295 1 20 SER H 1 19 GLY HAy 1.0 0.0 4.0 531 296 1 19 GLY HAy 1 23 ASN HBx 1.0 0.0 5.5 532 296 1 19 GLY HAx 1 23 ASN HBx 1.0 0.0 5.5 533 296 1 23 ASN HBy 1 19 GLY HAx 1.0 0.0 5.5 534 296 1 19 GLY HAy 1 23 ASN HBy 1.0 0.0 5.5 535 297 1 20 SER H 1 20 SER HA 1.0 0.0 5.0 536 298 1 20 SER H 1 20 SER HBx 1.0 0.0 5.0 537 298 1 20 SER H 1 20 SER HBy 1.0 0.0 5.0 538 299 1 20 SER H 1 21 PRO HDx 1.0 0.0 5.0 539 299 1 20 SER H 1 21 PRO HDy 1.0 0.0 5.0 540 300 1 20 SER HA 1 21 PRO HDx 1.0 0.0 4.0 541 300 1 20 SER HA 1 21 PRO HDy 1.0 0.0 4.0 542 301 1 20 SER HBy 1 21 PRO HGx 1.0 0.0 6.0 543 301 1 20 SER HBx 1 21 PRO HGx 1.0 0.0 6.0 544 301 1 21 PRO HGy 1 20 SER HBx 1.0 0.0 6.0 545 301 1 20 SER HBy 1 21 PRO HGy 1.0 0.0 6.0 546 302 1 20 SER HBy 1 21 PRO HDx 1.0 0.0 5.0 547 302 1 20 SER HBx 1 21 PRO HDx 1.0 0.0 5.0 548 302 1 21 PRO HDy 1 20 SER HBx 1.0 0.0 5.0 549 302 1 20 SER HBy 1 21 PRO HDy 1.0 0.0 5.0 550 303 1 20 SER H 1 22 ALA H 1.0 0.0 5.0 551 304 1 20 SER H 1 22 ALA HB% 1.0 0.0 6.0 552 305 1 22 ALA H 1 20 SER HBx 1.0 0.0 5.0 553 305 1 20 SER HBy 1 22 ALA H 1.0 0.0 5.0 554 306 1 22 ALA HB% 1 20 SER HBx 1.0 0.0 6.0 555 306 1 20 SER HBy 1 22 ALA HB% 1.0 0.0 6.0 556 307 1 20 SER H 1 23 ASN H 1.0 0.0 5.0 557 308 1 20 SER H 1 23 ASN HA 1.0 0.0 6.0 558 309 1 20 SER H 1 23 ASN HBx 1.0 0.0 4.5 559 309 1 20 SER H 1 23 ASN HBy 1.0 0.0 4.5 560 310 1 20 SER H 1 23 ASN HD2y 1.0 0.0 6.0 561 310 1 20 SER H 1 23 ASN HD2x 1.0 0.0 6.0 562 311 1 23 ASN H 1 20 SER HBx 1.0 0.0 5.0 563 311 1 20 SER HBy 1 23 ASN H 1.0 0.0 5.0 564 312 1 20 SER HBy 1 23 ASN HBx 1.0 0.0 5.0 565 312 1 20 SER HBx 1 23 ASN HBx 1.0 0.0 5.0 566 312 1 23 ASN HBy 1 20 SER HBx 1.0 0.0 5.0 567 312 1 23 ASN HBy 1 20 SER HBy 1.0 0.0 5.0 568 313 1 20 SER HBy 1 23 ASN HD2y 1.0 0.0 6.0 569 313 1 20 SER HBx 1 23 ASN HD2y 1.0 0.0 6.0 570 313 1 23 ASN HD2x 1 20 SER HBx 1.0 0.0 6.0 571 313 1 20 SER HBy 1 23 ASN HD2x 1.0 0.0 6.0 572 314 1 20 SER H 1 24 CYS H 1.0 0.0 5.0 573 315 1 20 SER H 1 24 CYS HBx 1.0 0.0 6.0 574 315 1 20 SER H 1 24 CYS HBy 1.0 0.0 6.0 575 316 1 24 CYS H 1 20 SER HBx 1.0 0.0 5.0 576 316 1 20 SER HBy 1 24 CYS H 1.0 0.0 5.0 577 317 1 20 SER H 1 31 ALA HB% 1.0 0.0 6.0 578 318 1 22 ALA H 1 21 PRO HA 1.0 0.0 4.0 579 319 1 22 ALA H 1 21 PRO HBx 1.0 0.0 4.0 580 319 1 22 ALA H 1 21 PRO HBy 1.0 0.0 4.0 581 320 1 22 ALA HA 1 21 PRO HBx 1.0 0.0 5.0 582 320 1 21 PRO HBy 1 22 ALA HA 1.0 0.0 5.0 583 321 1 22 ALA HB% 1 21 PRO HBx 1.0 0.0 5.0 584 321 1 22 ALA HB% 1 21 PRO HBy 1.0 0.0 5.0 585 322 1 22 ALA HB% 1 21 PRO HGx 1.0 0.0 5.0 586 322 1 21 PRO HGy 1 22 ALA HB% 1.0 0.0 5.0 587 323 1 22 ALA H 1 21 PRO HGx 1.0 0.0 5.0 588 323 1 21 PRO HGy 1 22 ALA H 1.0 0.0 5.0 589 324 1 22 ALA H 1 21 PRO HDx 1.0 0.0 4.0 590 324 1 21 PRO HDy 1 22 ALA H 1.0 0.0 4.0 591 325 1 23 ASN H 1 21 PRO HDx 1.0 0.0 5.0 592 325 1 21 PRO HDy 1 23 ASN H 1.0 0.0 5.0 593 326 1 24 CYS H 1 21 PRO HA 1.0 0.0 4.5 594 327 1 21 PRO HA 1 24 CYS HBx 1.0 0.0 4.5 595 327 1 24 CYS HBy 1 21 PRO HA 1.0 0.0 4.5 596 328 1 25 GLN H 1 21 PRO HA 1.0 0.0 6.0 597 329 1 21 PRO HA 1 30 ASN HA 1.0 0.0 5.5 598 330 1 21 PRO HA 1 30 ASN HD2y 1.0 0.0 6.0 599 330 1 21 PRO HA 1 30 ASN HD2x 1.0 0.0 6.0 600 331 1 21 PRO HA 1 31 ALA H 1.0 0.0 5.0 601 332 1 31 ALA HB% 1 21 PRO HA 1.0 0.0 5.0 602 333 1 31 ALA HB% 1 21 PRO HBx 1.0 0.0 5.0 603 333 1 31 ALA HB% 1 21 PRO HBy 1.0 0.0 5.0 604 334 1 31 ALA H 1 21 PRO HGx 1.0 0.0 6.0 605 334 1 21 PRO HGy 1 31 ALA H 1.0 0.0 6.0 606 335 1 31 ALA HB% 1 21 PRO HGx 1.0 0.0 5.0 607 335 1 31 ALA HB% 1 21 PRO HGy 1.0 0.0 5.0 608 336 1 31 ALA HA 1 21 PRO HDx 1.0 0.0 6.0 609 336 1 31 ALA HA 1 21 PRO HDy 1.0 0.0 6.0 610 337 1 31 ALA HB% 1 21 PRO HDx 1.0 0.0 5.0 611 337 1 31 ALA HB% 1 21 PRO HDy 1.0 0.0 5.0 612 338 1 32 ALA H 1 21 PRO HBx 1.0 0.0 5.0 613 338 1 21 PRO HBy 1 32 ALA H 1.0 0.0 5.0 614 339 1 32 ALA HA 1 21 PRO HBx 1.0 0.0 6.0 615 339 1 21 PRO HBy 1 32 ALA HA 1.0 0.0 6.0 616 340 1 32 ALA HB% 1 21 PRO HBx 1.0 0.0 6.0 617 340 1 21 PRO HBy 1 32 ALA HB% 1.0 0.0 6.0 618 341 1 32 ALA H 1 21 PRO HGx 1.0 0.0 5.0 619 341 1 21 PRO HGy 1 32 ALA H 1.0 0.0 5.0 620 342 1 32 ALA HA 1 21 PRO HGx 1.0 0.0 5.0 621 342 1 21 PRO HGy 1 32 ALA HA 1.0 0.0 5.0 622 343 1 32 ALA HB% 1 21 PRO HGx 1.0 0.0 5.0 623 343 1 21 PRO HGy 1 32 ALA HB% 1.0 0.0 5.0 624 344 1 32 ALA H 1 21 PRO HDx 1.0 0.0 5.0 625 344 1 21 PRO HDy 1 32 ALA H 1.0 0.0 5.0 626 345 1 32 ALA HB% 1 21 PRO HDx 1.0 0.0 6.0 627 345 1 21 PRO HDy 1 32 ALA HB% 1.0 0.0 6.0 628 346 1 22 ALA H 1 22 ALA HA 1.0 0.0 5.0 629 347 1 22 ALA H 1 22 ALA HB% 1.0 0.0 5.0 630 348 1 22 ALA H 1 23 ASN H 1.0 0.0 3.0 631 349 1 22 ALA H 1 23 ASN HA 1.0 0.0 5.0 632 350 1 22 ALA H 1 23 ASN HBx 1.0 0.0 5.0 633 350 1 23 ASN HBy 1 22 ALA H 1.0 0.0 5.0 634 351 1 23 ASN H 1 22 ALA HA 1.0 0.0 4.0 635 352 1 23 ASN HA 1 22 ALA HA 1.0 0.0 5.0 636 353 1 22 ALA HB% 1 23 ASN H 1.0 0.0 4.0 637 354 1 22 ALA HB% 1 23 ASN HA 1.0 0.0 5.0 638 355 1 22 ALA HB% 1 23 ASN HBx 1.0 0.0 5.0 639 355 1 23 ASN HBy 1 22 ALA HB% 1.0 0.0 5.0 640 356 1 22 ALA HB% 1 23 ASN HD2y 1.0 0.0 5.0 641 356 1 22 ALA HB% 1 23 ASN HD2x 1.0 0.0 5.0 642 357 1 22 ALA H 1 24 CYS H 1.0 0.0 4.5 643 358 1 24 CYS H 1 22 ALA HA 1.0 0.0 5.0 644 359 1 22 ALA HB% 1 24 CYS H 1.0 0.0 5.0 645 360 1 31 ALA HB% 1 22 ALA H 1.0 0.0 6.0 646 361 1 23 ASN H 1 23 ASN HA 1.0 0.0 5.0 647 362 1 23 ASN H 1 23 ASN HBx 1.0 0.0 5.0 648 362 1 23 ASN HBy 1 23 ASN H 1.0 0.0 5.0 649 363 1 23 ASN H 1 23 ASN HD2y 1.0 0.0 5.0 650 363 1 23 ASN H 1 23 ASN HD2x 1.0 0.0 5.0 651 364 1 23 ASN H 1 24 CYS H 1.0 0.0 3.0 652 365 1 23 ASN H 1 24 CYS HBx 1.0 0.0 4.0 653 365 1 24 CYS HBy 1 23 ASN H 1.0 0.0 4.0 654 366 1 23 ASN HA 1 24 CYS H 1.0 0.0 4.0 655 367 1 24 CYS H 1 23 ASN HBx 1.0 0.0 5.0 656 367 1 23 ASN HBy 1 24 CYS H 1.0 0.0 5.0 657 368 1 24 CYS H 1 24 CYS HA 1.0 0.0 5.0 658 369 1 24 CYS H 1 24 CYS HBx 1.0 0.0 5.0 659 369 1 24 CYS HBy 1 24 CYS H 1.0 0.0 5.0 660 370 1 25 GLN H 1 24 CYS H 1.0 0.0 4.0 661 371 1 25 GLN H 1 24 CYS HA 1.0 0.0 4.0 662 372 1 24 CYS HA 1 25 GLN HB2 1.0 0.0 5.0 663 372 1 24 CYS HA 1 25 GLN HB3 1.0 0.0 5.0 664 373 1 24 CYS HA 1 25 GLN HGx 1.0 0.0 5.0 665 373 1 24 CYS HA 1 25 GLN HGy 1.0 0.0 5.0 666 374 1 25 GLN H 1 24 CYS HBx 1.0 0.0 5.0 667 374 1 24 CYS HBy 1 25 GLN H 1.0 0.0 5.0 668 375 1 26 ASP H 1 24 CYS HBx 1.0 0.0 5.0 669 375 1 24 CYS HBy 1 26 ASP H 1.0 0.0 5.0 670 376 1 31 ALA HB% 1 24 CYS H 1.0 0.0 5.0 671 377 1 31 ALA H 1 24 CYS HA 1.0 0.0 5.0 672 378 1 31 ALA H 1 24 CYS HBx 1.0 0.0 6.0 673 378 1 24 CYS HBy 1 31 ALA H 1.0 0.0 6.0 674 379 1 31 ALA HB% 1 24 CYS HBx 1.0 0.0 4.0 675 379 1 24 CYS HBy 1 31 ALA HB% 1.0 0.0 4.0 676 380 1 32 ALA HB% 1 24 CYS HBx 1.0 0.0 6.0 677 380 1 24 CYS HBy 1 32 ALA HB% 1.0 0.0 6.0 678 381 1 25 GLN H 1 25 GLN HA 1.0 0.0 5.0 679 382 1 25 GLN H 1 25 GLN HB2 1.0 0.0 5.0 680 382 1 25 GLN H 1 25 GLN HB3 1.0 0.0 5.0 681 383 1 25 GLN H 1 25 GLN HGx 1.0 0.0 5.0 682 383 1 25 GLN H 1 25 GLN HGy 1.0 0.0 5.0 683 384 1 25 GLN H 1 26 ASP H 1.0 0.0 4.0 684 385 1 26 ASP H 1 25 GLN HA 1.0 0.0 4.0 685 386 1 26 ASP H 1 25 GLN HB2 1.0 0.0 5.0 686 386 1 26 ASP H 1 25 GLN HB3 1.0 0.0 5.0 687 387 1 26 ASP H 1 25 GLN HGx 1.0 0.0 5.0 688 387 1 26 ASP H 1 25 GLN HGy 1.0 0.0 5.0 689 388 1 27 ARG H 1 25 GLN HB2 1.0 0.0 6.0 690 388 1 25 GLN HB3 1 27 ARG H 1.0 0.0 6.0 691 389 1 27 ARG H 1 25 GLN HGx 1.0 0.0 6.0 692 389 1 25 GLN HGy 1 27 ARG H 1.0 0.0 6.0 693 390 1 25 GLN H 1 31 ALA HB% 1.0 0.0 6.0 694 391 1 26 ASP H 1 26 ASP HA 1.0 0.0 5.0 695 392 1 26 ASP H 1 26 ASP HBx 1.0 0.0 5.0 696 392 1 26 ASP H 1 26 ASP HBy 1.0 0.0 5.0 697 393 1 26 ASP H 1 27 ARG H 1.0 0.0 4.0 698 394 1 26 ASP H 1 27 ARG HBx 1.0 0.0 5.0 699 394 1 26 ASP H 1 27 ARG HBy 1.0 0.0 5.0 700 395 1 27 ARG H 1 26 ASP HA 1.0 0.0 3.0 701 396 1 26 ASP HA 1 27 ARG HA 1.0 0.0 5.0 702 397 1 26 ASP HA 1 27 ARG HBx 1.0 0.0 6.0 703 397 1 26 ASP HA 1 27 ARG HBy 1.0 0.0 6.0 704 398 1 26 ASP HA 1 27 ARG HGx 1.0 0.0 6.0 705 398 1 26 ASP HA 1 27 ARG HGy 1.0 0.0 6.0 706 399 1 27 ARG H 1 26 ASP HBx 1.0 0.0 5.0 707 399 1 26 ASP HBy 1 27 ARG H 1.0 0.0 5.0 708 400 1 26 ASP HA 1 28 CYS H 1.0 0.0 6.0 709 401 1 28 CYS H 1 26 ASP HBx 1.0 0.0 5.0 710 401 1 26 ASP HBy 1 28 CYS H 1.0 0.0 5.0 711 402 1 28 CYS HA 1 26 ASP HBx 1.0 0.0 6.0 712 402 1 26 ASP HBy 1 28 CYS HA 1.0 0.0 6.0 713 403 1 26 ASP HBy 1 29 CYS HBx 1.0 0.0 5.0 714 403 1 26 ASP HBx 1 29 CYS HBx 1.0 0.0 5.0 715 403 1 29 CYS HBy 1 26 ASP HBx 1.0 0.0 5.0 716 403 1 29 CYS HBy 1 26 ASP HBy 1.0 0.0 5.0 717 404 1 26 ASP H 1 37 THR HG2% 1.0 0.0 6.0 718 405 1 27 ARG H 1 27 ARG HA 1.0 0.0 5.0 719 406 1 27 ARG H 1 27 ARG HBx 1.0 0.0 5.0 720 406 1 27 ARG H 1 27 ARG HBy 1.0 0.0 5.0 721 407 1 27 ARG H 1 27 ARG HGx 1.0 0.0 5.0 722 407 1 27 ARG H 1 27 ARG HGy 1.0 0.0 5.0 723 408 1 27 ARG H 1 28 CYS H 1.0 0.0 4.0 724 409 1 27 ARG HA 1 28 CYS H 1.0 0.0 4.0 725 410 1 28 CYS H 1 27 ARG HBx 1.0 0.0 5.0 726 410 1 27 ARG HBy 1 28 CYS H 1.0 0.0 5.0 727 411 1 28 CYS H 1 27 ARG HGx 1.0 0.0 5.0 728 411 1 27 ARG HGy 1 28 CYS H 1.0 0.0 5.0 729 412 1 29 CYS H 1 27 ARG HA 1.0 0.0 5.0 730 413 1 28 CYS H 1 28 CYS HA 1.0 0.0 5.0 731 414 1 28 CYS H 1 28 CYS HBx 1.0 0.0 5.0 732 414 1 28 CYS H 1 28 CYS HBy 1.0 0.0 5.0 733 415 1 29 CYS H 1 28 CYS H 1.0 0.0 4.0 734 416 1 28 CYS H 1 29 CYS HBx 1.0 0.0 5.0 735 416 1 29 CYS HBy 1 28 CYS H 1.0 0.0 5.0 736 417 1 29 CYS H 1 28 CYS HA 1.0 0.0 4.0 737 418 1 29 CYS H 1 28 CYS HBx 1.0 0.0 5.0 738 418 1 29 CYS H 1 28 CYS HBy 1.0 0.0 5.0 739 419 1 28 CYS H 1 36 LEU HDx% 1.0 0.0 6.0 740 419 1 36 LEU HDy% 1 28 CYS H 1.0 0.0 6.0 741 420 1 28 CYS HBx 1 36 LEU HDx% 1.0 0.0 5.0 742 420 1 28 CYS HBy 1 36 LEU HDx% 1.0 0.0 5.0 743 420 1 36 LEU HDy% 1 28 CYS HBx 1.0 0.0 5.0 744 420 1 36 LEU HDy% 1 28 CYS HBy 1.0 0.0 5.0 745 421 1 28 CYS H 1 37 THR HG2% 1.0 0.0 6.0 746 422 1 28 CYS HA 1 37 THR H 1.0 0.0 6.0 747 423 1 28 CYS HA 1 37 THR HG2% 1.0 0.0 5.0 748 424 1 28 CYS H 1 43 ASN HBx 1.0 0.0 6.0 749 424 1 28 CYS H 1 43 ASN HBy 1.0 0.0 6.0 750 425 1 43 ASN HA 1 28 CYS HBx 1.0 0.0 4.0 751 425 1 28 CYS HBy 1 43 ASN HA 1.0 0.0 4.0 752 426 1 28 CYS HBx 1 43 ASN HBx 1.0 0.0 5.0 753 426 1 28 CYS HBy 1 43 ASN HBx 1.0 0.0 5.0 754 426 1 43 ASN HBy 1 28 CYS HBx 1.0 0.0 5.0 755 426 1 28 CYS HBy 1 43 ASN HBy 1.0 0.0 5.0 756 427 1 51 CYS HA 1 28 CYS HBx 1.0 0.0 5.0 757 427 1 28 CYS HBy 1 51 CYS HA 1.0 0.0 5.0 758 428 1 28 CYS HBy 1 51 CYS HBx 1.0 0.0 6.0 759 428 1 28 CYS HBx 1 51 CYS HBx 1.0 0.0 6.0 760 428 1 51 CYS HBy 1 28 CYS HBx 1.0 0.0 6.0 761 428 1 28 CYS HBy 1 51 CYS HBy 1.0 0.0 6.0 762 429 1 29 CYS H 1 29 CYS HA 1.0 0.0 5.0 763 430 1 29 CYS H 1 29 CYS HBx 1.0 0.0 5.0 764 430 1 29 CYS H 1 29 CYS HBy 1.0 0.0 5.0 765 431 1 29 CYS H 1 30 ASN H 1.0 0.0 5.0 766 432 1 29 CYS HA 1 30 ASN H 1.0 0.0 4.0 767 433 1 29 CYS HA 1 30 ASN HBx 1.0 0.0 5.0 768 433 1 29 CYS HA 1 30 ASN HBy 1.0 0.0 5.0 769 434 1 30 ASN H 1 29 CYS HBx 1.0 0.0 5.0 770 434 1 29 CYS HBy 1 30 ASN H 1.0 0.0 5.0 771 435 1 31 ALA H 1 29 CYS HBx 1.0 0.0 6.0 772 435 1 29 CYS HBy 1 31 ALA H 1.0 0.0 6.0 773 436 1 29 CYS H 1 36 LEU HDx% 1.0 0.0 6.0 774 436 1 36 LEU HDy% 1 29 CYS H 1.0 0.0 6.0 775 437 1 29 CYS HA 1 36 LEU HBx 1.0 0.0 5.0 776 437 1 36 LEU HBy 1 29 CYS HA 1.0 0.0 5.0 777 438 1 36 LEU HG 1 29 CYS HA 1.0 0.0 5.0 778 439 1 29 CYS HA 1 36 LEU HDx% 1.0 0.0 6.0 779 439 1 36 LEU HDy% 1 29 CYS HA 1.0 0.0 6.0 780 440 1 29 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 781 440 1 29 CYS HBx 1 36 LEU HDx% 1.0 0.0 6.0 782 440 1 36 LEU HDy% 1 29 CYS HBx 1.0 0.0 6.0 783 440 1 36 LEU HDy% 1 29 CYS HBy 1.0 0.0 6.0 784 441 1 29 CYS H 1 37 THR HG2% 1.0 0.0 6.0 785 442 1 37 THR HG2% 1 29 CYS HA 1.0 0.0 4.0 786 443 1 29 CYS H 1 43 ASN HD2y 1.0 0.0 6.0 787 443 1 43 ASN HD2x 1 29 CYS H 1.0 0.0 6.0 788 444 1 30 ASN HA 1 30 ASN H 1.0 0.0 5.0 789 445 1 30 ASN H 1 30 ASN HBx 1.0 0.0 5.0 790 445 1 30 ASN H 1 30 ASN HBy 1.0 0.0 5.0 791 446 1 30 ASN H 1 30 ASN HD2y 1.0 0.0 5.0 792 446 1 30 ASN HD2x 1 30 ASN H 1.0 0.0 5.0 793 447 1 31 ALA H 1 30 ASN H 1.0 0.0 5.0 794 448 1 30 ASN HA 1 31 ALA H 1.0 0.0 4.0 795 449 1 31 ALA HA 1 30 ASN HA 1.0 0.0 5.0 796 450 1 31 ALA HB% 1 30 ASN HA 1.0 0.0 5.0 797 451 1 31 ALA H 1 30 ASN HBx 1.0 0.0 5.0 798 451 1 31 ALA H 1 30 ASN HBy 1.0 0.0 5.0 799 452 1 31 ALA H 1 30 ASN HD2y 1.0 0.0 6.0 800 452 1 30 ASN HD2x 1 31 ALA H 1.0 0.0 6.0 801 453 1 31 ALA HB% 1 30 ASN HD2y 1.0 0.0 6.0 802 453 1 31 ALA HB% 1 30 ASN HD2x 1.0 0.0 6.0 803 454 1 30 ASN HA 1 32 ALA H 1.0 0.0 4.0 804 455 1 30 ASN HA 1 32 ALA HB% 1.0 0.0 6.0 805 456 1 32 ALA H 1 30 ASN HD2y 1.0 0.0 5.0 806 456 1 30 ASN HD2x 1 32 ALA H 1.0 0.0 5.0 807 457 1 32 ALA HB% 1 30 ASN HD2y 1.0 0.0 5.0 808 457 1 30 ASN HD2x 1 32 ALA HB% 1.0 0.0 5.0 809 458 1 30 ASN H 1 33 THR H 1.0 0.0 5.0 810 459 1 33 THR H 1 30 ASN HBx 1.0 0.0 5.0 811 459 1 30 ASN HBy 1 33 THR H 1.0 0.0 5.0 812 460 1 33 THR HG2% 1 30 ASN HBx 1.0 0.0 6.0 813 460 1 33 THR HG2% 1 30 ASN HBy 1.0 0.0 6.0 814 461 1 33 THR HG2% 1 30 ASN HD2y 1.0 0.0 5.0 815 461 1 33 THR HG2% 1 30 ASN HD2x 1.0 0.0 5.0 816 462 1 34 CYS H 1 30 ASN HBx 1.0 0.0 5.0 817 462 1 34 CYS H 1 30 ASN HBy 1.0 0.0 5.0 818 463 1 30 ASN HD2y 1 34 CYS HBx 1.0 0.0 6.0 819 463 1 30 ASN HD2x 1 34 CYS HBx 1.0 0.0 6.0 820 463 1 34 CYS HBy 1 30 ASN HD2y 1.0 0.0 6.0 821 463 1 34 CYS HBy 1 30 ASN HD2x 1.0 0.0 6.0 822 464 1 35 LYS H 1 30 ASN H 1.0 0.0 4.0 823 465 1 35 LYS H 1 30 ASN HBx 1.0 0.0 5.0 824 465 1 35 LYS H 1 30 ASN HBy 1.0 0.0 5.0 825 466 1 36 LEU H 1 30 ASN H 1.0 0.0 5.0 826 467 1 30 ASN H 1 36 LEU HBx 1.0 0.0 6.0 827 467 1 36 LEU HBy 1 30 ASN H 1.0 0.0 6.0 828 468 1 30 ASN H 1 36 LEU HDx% 1.0 0.0 6.0 829 468 1 36 LEU HDy% 1 30 ASN H 1.0 0.0 6.0 830 469 1 37 THR H 1 30 ASN H 1.0 0.0 4.0 831 470 1 37 THR HG2% 1 30 ASN H 1.0 0.0 5.0 832 471 1 30 ASN HA 1 37 THR HG2% 1.0 0.0 4.0 833 472 1 37 THR H 1 30 ASN HBx 1.0 0.0 6.0 834 472 1 37 THR H 1 30 ASN HBy 1.0 0.0 6.0 835 473 1 37 THR HA 1 30 ASN HBx 1.0 0.0 4.0 836 473 1 30 ASN HBy 1 37 THR HA 1.0 0.0 4.0 837 474 1 37 THR HG2% 1 30 ASN HBx 1.0 0.0 5.0 838 474 1 37 THR HG2% 1 30 ASN HBy 1.0 0.0 5.0 839 475 1 37 THR HA 1 30 ASN HD2y 1.0 0.0 5.0 840 475 1 30 ASN HD2x 1 37 THR HA 1.0 0.0 5.0 841 476 1 37 THR HG2% 1 30 ASN HD2y 1.0 0.0 6.0 842 476 1 30 ASN HD2x 1 37 THR HG2% 1.0 0.0 6.0 843 477 1 31 ALA HA 1 31 ALA H 1.0 0.0 5.0 844 478 1 31 ALA HB% 1 31 ALA H 1.0 0.0 5.0 845 479 1 31 ALA H 1 32 ALA H 1.0 0.0 3.0 846 480 1 31 ALA H 1 32 ALA HB% 1.0 0.0 5.0 847 481 1 31 ALA HA 1 32 ALA H 1.0 0.0 4.0 848 482 1 31 ALA HB% 1 32 ALA H 1.0 0.0 4.0 849 483 1 31 ALA H 1 33 THR H 1.0 0.0 5.0 850 484 1 31 ALA HB% 1 33 THR H 1.0 0.0 6.0 851 485 1 34 CYS H 1 31 ALA H 1.0 0.0 5.0 852 486 1 34 CYS H 1 31 ALA HA 1.0 0.0 5.0 853 487 1 34 CYS H 1 31 ALA HB% 1.0 0.0 6.0 854 488 1 31 ALA H 1 37 THR HG2% 1.0 0.0 5.0 855 489 1 32 ALA H 1 32 ALA HA 1.0 0.0 5.0 856 490 1 32 ALA H 1 32 ALA HB% 1.0 0.0 5.0 857 491 1 32 ALA H 1 33 THR H 1.0 0.0 4.0 858 492 1 33 THR HG2% 1 32 ALA H 1.0 0.0 5.0 859 493 1 32 ALA HA 1 33 THR H 1.0 0.0 4.0 860 494 1 33 THR HG2% 1 32 ALA HA 1.0 0.0 6.0 861 495 1 32 ALA HB% 1 33 THR H 1.0 0.0 4.0 862 496 1 32 ALA HB% 1 33 THR HA 1.0 0.0 5.0 863 497 1 33 THR HG2% 1 32 ALA HB% 1.0 0.0 4.0 864 498 1 34 CYS H 1 32 ALA H 1.0 0.0 4.0 865 499 1 34 CYS H 1 32 ALA HA 1.0 0.0 5.0 866 500 1 34 CYS H 1 32 ALA HB% 1.0 0.0 5.0 867 501 1 33 THR H 1 33 THR HA 1.0 0.0 5.0 868 502 1 33 THR H 1 33 THR HB 1.0 0.0 5.0 869 503 1 33 THR HG2% 1 33 THR H 1.0 0.0 5.0 870 504 1 34 CYS H 1 33 THR H 1.0 0.0 3.0 871 505 1 34 CYS HA 1 33 THR H 1.0 0.0 4.0 872 506 1 34 CYS H 1 33 THR HA 1.0 0.0 4.0 873 507 1 34 CYS H 1 33 THR HB 1.0 0.0 5.0 874 508 1 33 THR HG2% 1 34 CYS H 1.0 0.0 5.0 875 509 1 34 CYS HA 1 33 THR HG2% 1.0 0.0 6.0 876 510 1 35 LYS H 1 33 THR HA 1.0 0.0 5.0 877 511 1 33 THR HA 1 35 LYS HBx 1.0 0.0 6.0 878 511 1 33 THR HA 1 35 LYS HBy 1.0 0.0 6.0 879 512 1 33 THR HA 1 35 LYS HG2 1.0 0.0 6.0 880 512 1 33 THR HA 1 35 LYS HG3 1.0 0.0 6.0 881 513 1 35 LYS H 1 33 THR HB 1.0 0.0 5.0 882 514 1 33 THR HB 1 35 LYS HBx 1.0 0.0 5.0 883 514 1 33 THR HB 1 35 LYS HBy 1.0 0.0 5.0 884 515 1 33 THR HB 1 35 LYS HG2 1.0 0.0 5.0 885 515 1 33 THR HB 1 35 LYS HG3 1.0 0.0 5.0 886 516 1 35 LYS H 1 33 THR HG2% 1.0 0.0 5.0 887 517 1 34 CYS HA 1 34 CYS H 1.0 0.0 5.0 888 518 1 34 CYS H 1 34 CYS HBx 1.0 0.0 5.0 889 518 1 34 CYS HBy 1 34 CYS H 1.0 0.0 5.0 890 519 1 35 LYS H 1 34 CYS H 1.0 0.0 4.0 891 520 1 34 CYS H 1 35 LYS HBx 1.0 0.0 6.0 892 520 1 34 CYS H 1 35 LYS HBy 1.0 0.0 6.0 893 521 1 34 CYS HA 1 35 LYS H 1.0 0.0 4.0 894 522 1 35 LYS H 1 34 CYS HBx 1.0 0.0 6.0 895 522 1 34 CYS HBy 1 35 LYS H 1.0 0.0 6.0 896 523 1 35 LYS H 1 35 LYS HA 1.0 0.0 5.0 897 524 1 35 LYS H 1 35 LYS HBx 1.0 0.0 5.0 898 524 1 35 LYS H 1 35 LYS HBy 1.0 0.0 5.0 899 525 1 35 LYS H 1 35 LYS HG2 1.0 0.0 5.0 900 525 1 35 LYS H 1 35 LYS HG3 1.0 0.0 5.0 901 526 1 35 LYS H 1 35 LYS HDx 1.0 0.0 5.0 902 526 1 35 LYS H 1 35 LYS HDy 1.0 0.0 5.0 903 527 1 35 LYS H 1 35 LYS HEx 1.0 0.0 6.0 904 527 1 35 LYS H 1 35 LYS HEy 1.0 0.0 6.0 905 528 1 35 LYS H 1 36 LEU H 1.0 0.0 5.0 906 529 1 35 LYS H 1 36 LEU HDx% 1.0 0.0 6.0 907 529 1 35 LYS H 1 36 LEU HDy% 1.0 0.0 6.0 908 530 1 35 LYS HA 1 36 LEU H 1.0 0.0 3.0 909 531 1 36 LEU H 1 35 LYS HBx 1.0 0.0 4.0 910 531 1 36 LEU H 1 35 LYS HBy 1.0 0.0 4.0 911 532 1 35 LYS HBx 1 36 LEU HDx% 1.0 0.0 6.0 912 532 1 35 LYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 913 532 1 36 LEU HDy% 1 35 LYS HBx 1.0 0.0 6.0 914 532 1 36 LEU HDy% 1 35 LYS HBy 1.0 0.0 6.0 915 533 1 36 LEU H 1 35 LYS HG2 1.0 0.0 5.0 916 533 1 36 LEU H 1 35 LYS HG3 1.0 0.0 5.0 917 534 1 36 LEU H 1 35 LYS HEx 1.0 0.0 5.0 918 534 1 36 LEU H 1 35 LYS HEy 1.0 0.0 5.0 919 535 1 35 LYS H 1 37 THR HG2% 1.0 0.0 6.0 920 536 1 36 LEU H 1 36 LEU HA 1.0 0.0 5.0 921 537 1 36 LEU H 1 36 LEU HBx 1.0 0.0 5.0 922 537 1 36 LEU H 1 36 LEU HBy 1.0 0.0 5.0 923 538 1 36 LEU H 1 36 LEU HG 1.0 0.0 5.0 924 539 1 36 LEU H 1 36 LEU HDx% 1.0 0.0 5.0 925 539 1 36 LEU HDy% 1 36 LEU H 1.0 0.0 5.0 926 540 1 36 LEU H 1 37 THR H 1.0 0.0 5.0 927 541 1 37 THR H 1 36 LEU HBx 1.0 0.0 5.0 928 541 1 36 LEU HBy 1 37 THR H 1.0 0.0 5.0 929 542 1 36 LEU HG 1 37 THR H 1.0 0.0 6.0 930 543 1 37 THR H 1 36 LEU HDx% 1.0 0.0 5.0 931 543 1 36 LEU HDy% 1 37 THR H 1.0 0.0 5.0 932 544 1 37 THR HA 1 36 LEU HDx% 1.0 0.0 6.0 933 544 1 36 LEU HDy% 1 37 THR HA 1.0 0.0 6.0 934 545 1 37 THR HG2% 1 36 LEU HDx% 1.0 0.0 6.0 935 545 1 36 LEU HDy% 1 37 THR HG2% 1.0 0.0 6.0 936 546 1 39 GLY H 1 36 LEU HDx% 1.0 0.0 6.0 937 546 1 36 LEU HDy% 1 39 GLY H 1.0 0.0 6.0 938 547 1 40 SER H 1 36 LEU HBx 1.0 0.0 5.0 939 547 1 36 LEU HBy 1 40 SER H 1.0 0.0 5.0 940 548 1 36 LEU HBy 1 40 SER HBx 1.0 0.0 5.0 941 548 1 36 LEU HBx 1 40 SER HBx 1.0 0.0 5.0 942 548 1 40 SER HBy 1 36 LEU HBx 1.0 0.0 5.0 943 548 1 36 LEU HBy 1 40 SER HBy 1.0 0.0 5.0 944 549 1 40 SER H 1 36 LEU HDx% 1.0 0.0 6.0 945 549 1 36 LEU HDy% 1 40 SER H 1.0 0.0 6.0 946 550 1 36 LEU HDx% 1 40 SER HBx 1.0 0.0 5.0 947 550 1 40 SER HBy 1 36 LEU HDx% 1.0 0.0 5.0 948 550 1 36 LEU HDy% 1 40 SER HBy 1.0 0.0 5.0 949 550 1 36 LEU HDy% 1 40 SER HBx 1.0 0.0 5.0 950 551 1 41 GLN H 1 36 LEU HDx% 1.0 0.0 6.0 951 551 1 36 LEU HDy% 1 41 GLN H 1.0 0.0 6.0 952 552 1 41 GLN HA 1 36 LEU HDx% 1.0 0.0 5.0 953 552 1 36 LEU HDy% 1 41 GLN HA 1.0 0.0 5.0 954 553 1 42 CYS H 1 36 LEU HBx 1.0 0.0 5.0 955 553 1 36 LEU HBy 1 42 CYS H 1.0 0.0 5.0 956 554 1 42 CYS HA 1 36 LEU HBx 1.0 0.0 6.0 957 554 1 36 LEU HBy 1 42 CYS HA 1.0 0.0 6.0 958 555 1 36 LEU HG 1 42 CYS HA 1.0 0.0 5.0 959 556 1 42 CYS H 1 36 LEU HDx% 1.0 0.0 5.0 960 556 1 36 LEU HDy% 1 42 CYS H 1.0 0.0 5.0 961 557 1 42 CYS HA 1 36 LEU HDx% 1.0 0.0 4.0 962 557 1 36 LEU HDy% 1 42 CYS HA 1.0 0.0 4.0 963 558 1 36 LEU HDx% 1 42 CYS HBx 1.0 0.0 5.0 964 558 1 36 LEU HDy% 1 42 CYS HBx 1.0 0.0 5.0 965 558 1 42 CYS HBy 1 36 LEU HDx% 1.0 0.0 5.0 966 558 1 36 LEU HDy% 1 42 CYS HBy 1.0 0.0 5.0 967 559 1 36 LEU HG 1 43 ASN HBx 1.0 0.0 5.0 968 559 1 36 LEU HG 1 43 ASN HBy 1.0 0.0 5.0 969 560 1 43 ASN H 1 36 LEU HDx% 1.0 0.0 5.0 970 560 1 36 LEU HDy% 1 43 ASN H 1.0 0.0 5.0 971 561 1 43 ASN HA 1 36 LEU HDx% 1.0 0.0 5.0 972 561 1 36 LEU HDy% 1 43 ASN HA 1.0 0.0 5.0 973 562 1 36 LEU HDy% 1 43 ASN HBx 1.0 0.0 4.0 974 562 1 36 LEU HDx% 1 43 ASN HBx 1.0 0.0 4.0 975 562 1 43 ASN HBy 1 36 LEU HDx% 1.0 0.0 4.0 976 562 1 36 LEU HDy% 1 43 ASN HBy 1.0 0.0 4.0 977 563 1 36 LEU HDx% 1 43 ASN HD2y 1.0 0.0 6.0 978 563 1 36 LEU HDy% 1 43 ASN HD2y 1.0 0.0 6.0 979 563 1 43 ASN HD2x 1 36 LEU HDx% 1.0 0.0 6.0 980 563 1 43 ASN HD2x 1 36 LEU HDy% 1.0 0.0 6.0 981 564 1 44 TYR H 1 36 LEU HDx% 1.0 0.0 6.0 982 564 1 36 LEU HDy% 1 44 TYR H 1.0 0.0 6.0 983 565 1 36 LEU HDx% 1 48 CYS HBx 1.0 0.0 6.0 984 565 1 36 LEU HDy% 1 48 CYS HBx 1.0 0.0 6.0 985 565 1 48 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 986 565 1 36 LEU HDy% 1 48 CYS HBy 1.0 0.0 6.0 987 566 1 36 LEU HDx% 1 51 CYS HBx 1.0 0.0 6.0 988 566 1 36 LEU HDy% 1 51 CYS HBx 1.0 0.0 6.0 989 566 1 51 CYS HBy 1 36 LEU HDx% 1.0 0.0 6.0 990 566 1 36 LEU HDy% 1 51 CYS HBy 1.0 0.0 6.0 991 567 1 53 PHE HD% 1 36 LEU HDx% 1.0 0.0 6.0 992 567 1 36 LEU HDy% 1 53 PHE HD% 1.0 0.0 6.0 993 568 1 53 PHE HE% 1 36 LEU HDx% 1.0 0.0 6.0 994 568 1 36 LEU HDy% 1 53 PHE HE% 1.0 0.0 6.0 995 569 1 37 THR H 1 37 THR HA 1.0 0.0 5.0 996 570 1 37 THR H 1 37 THR HB 1.0 0.0 5.0 997 571 1 37 THR HG2% 1 37 THR H 1.0 0.0 5.0 998 572 1 37 THR HA 1 38 PRO HBx 1.0 0.0 6.0 999 572 1 37 THR HA 1 38 PRO HBy 1.0 0.0 6.0 1000 573 1 37 THR HA 1 38 PRO HGx 1.0 0.0 5.0 1001 573 1 37 THR HA 1 38 PRO HGy 1.0 0.0 5.0 1002 574 1 37 THR HA 1 38 PRO HDx 1.0 0.0 3.0 1003 574 1 37 THR HA 1 38 PRO HDy 1.0 0.0 3.0 1004 575 1 37 THR HB 1 38 PRO HBx 1.0 0.0 6.0 1005 575 1 37 THR HB 1 38 PRO HBy 1.0 0.0 6.0 1006 576 1 37 THR HB 1 38 PRO HGx 1.0 0.0 6.0 1007 576 1 37 THR HB 1 38 PRO HGy 1.0 0.0 6.0 1008 577 1 37 THR HB 1 38 PRO HDx 1.0 0.0 5.0 1009 577 1 37 THR HB 1 38 PRO HDy 1.0 0.0 5.0 1010 578 1 37 THR HG2% 1 38 PRO HGx 1.0 0.0 6.0 1011 578 1 37 THR HG2% 1 38 PRO HGy 1.0 0.0 6.0 1012 579 1 37 THR HG2% 1 38 PRO HDx 1.0 0.0 5.0 1013 579 1 37 THR HG2% 1 38 PRO HDy 1.0 0.0 5.0 1014 580 1 37 THR HG2% 1 40 SER H 1.0 0.0 6.0 1015 581 1 39 GLY H 1 38 PRO HA 1.0 0.0 2.2 1016 582 1 39 GLY H 1 38 PRO HBx 1.0 0.0 4.0 1017 582 1 39 GLY H 1 38 PRO HBy 1.0 0.0 4.0 1018 583 1 39 GLY H 1 38 PRO HGx 1.0 0.0 5.0 1019 583 1 39 GLY H 1 38 PRO HGy 1.0 0.0 5.0 1020 584 1 39 GLY H 1 38 PRO HDx 1.0 0.0 6.0 1021 584 1 39 GLY H 1 38 PRO HDy 1.0 0.0 6.0 1022 585 1 39 GLY H 1 39 GLY HAx 1.0 0.0 5.0 1023 585 1 39 GLY H 1 39 GLY HAy 1.0 0.0 5.0 1024 586 1 39 GLY H 1 40 SER H 1.0 0.0 4.0 1025 587 1 39 GLY H 1 40 SER HA 1.0 0.0 5.0 1026 588 1 40 SER H 1 39 GLY HAx 1.0 0.0 4.0 1027 588 1 40 SER H 1 39 GLY HAy 1.0 0.0 4.0 1028 589 1 52 ARG HE 1 39 GLY HAx 1.0 0.0 6.0 1029 589 1 39 GLY HAy 1 52 ARG HE 1.0 0.0 6.0 1030 590 1 40 SER H 1 40 SER HA 1.0 0.0 5.0 1031 591 1 40 SER H 1 40 SER HBx 1.0 0.0 5.0 1032 591 1 40 SER H 1 40 SER HBy 1.0 0.0 5.0 1033 592 1 40 SER H 1 41 GLN H 1.0 0.0 5.0 1034 593 1 41 GLN H 1 40 SER HA 1.0 0.0 4.0 1035 594 1 40 SER HA 1 41 GLN HBx 1.0 0.0 6.0 1036 594 1 40 SER HA 1 41 GLN HBy 1.0 0.0 6.0 1037 595 1 40 SER HA 1 41 GLN HG2 1.0 0.0 5.0 1038 595 1 40 SER HA 1 41 GLN HG3 1.0 0.0 5.0 1039 596 1 41 GLN H 1 40 SER HBx 1.0 0.0 5.0 1040 596 1 40 SER HBy 1 41 GLN H 1.0 0.0 5.0 1041 597 1 40 SER H 1 42 CYS H 1.0 0.0 6.0 1042 598 1 42 CYS H 1 40 SER HBx 1.0 0.0 5.0 1043 598 1 40 SER HBy 1 42 CYS H 1.0 0.0 5.0 1044 599 1 40 SER H 1 51 CYS HBx 1.0 0.0 6.0 1045 599 1 51 CYS HBy 1 40 SER H 1.0 0.0 6.0 1046 600 1 40 SER HA 1 51 CYS HBx 1.0 0.0 5.0 1047 600 1 51 CYS HBy 1 40 SER HA 1.0 0.0 5.0 1048 601 1 40 SER HBx 1 51 CYS HBx 1.0 0.0 5.0 1049 601 1 40 SER HBy 1 51 CYS HBx 1.0 0.0 5.0 1050 601 1 51 CYS HBy 1 40 SER HBx 1.0 0.0 5.0 1051 601 1 51 CYS HBy 1 40 SER HBy 1.0 0.0 5.0 1052 602 1 40 SER HA 1 52 ARG HGx 1.0 0.0 6.0 1053 602 1 40 SER HA 1 52 ARG HGy 1.0 0.0 6.0 1054 603 1 40 SER HA 1 52 ARG HE 1.0 0.0 6.0 1055 604 1 41 GLN H 1 41 GLN HA 1.0 0.0 5.0 1056 605 1 41 GLN H 1 41 GLN HBx 1.0 0.0 5.0 1057 605 1 41 GLN H 1 41 GLN HBy 1.0 0.0 5.0 1058 606 1 41 GLN H 1 41 GLN HG2 1.0 0.0 5.0 1059 606 1 41 GLN H 1 41 GLN HG3 1.0 0.0 5.0 1060 607 1 41 GLN H 1 41 GLN HE2y 1.0 0.0 5.0 1061 607 1 41 GLN H 1 41 GLN HE2x 1.0 0.0 5.0 1062 608 1 41 GLN H 1 42 CYS H 1.0 0.0 4.0 1063 609 1 41 GLN HA 1 42 CYS H 1.0 0.0 5.0 1064 610 1 42 CYS H 1 41 GLN HBx 1.0 0.0 5.0 1065 610 1 42 CYS H 1 41 GLN HBy 1.0 0.0 5.0 1066 611 1 41 GLN HBx 1 42 CYS HBx 1.0 0.0 6.0 1067 611 1 41 GLN HBy 1 42 CYS HBx 1.0 0.0 6.0 1068 611 1 42 CYS HBy 1 41 GLN HBx 1.0 0.0 6.0 1069 611 1 42 CYS HBy 1 41 GLN HBy 1.0 0.0 6.0 1070 612 1 42 CYS H 1 41 GLN HG2 1.0 0.0 5.0 1071 612 1 42 CYS H 1 41 GLN HG3 1.0 0.0 5.0 1072 613 1 41 GLN H 1 51 CYS HBx 1.0 0.0 6.0 1073 613 1 51 CYS HBy 1 41 GLN H 1.0 0.0 6.0 1074 614 1 51 CYS H 1 41 GLN HBx 1.0 0.0 6.0 1075 614 1 41 GLN HBy 1 51 CYS H 1.0 0.0 6.0 1076 615 1 41 GLN H 1 52 ARG H 1.0 0.0 6.0 1077 616 1 41 GLN H 1 52 ARG HA 1.0 0.0 4.0 1078 617 1 41 GLN H 1 52 ARG HBx 1.0 0.0 6.0 1079 617 1 41 GLN H 1 52 ARG HBy 1.0 0.0 6.0 1080 618 1 41 GLN H 1 52 ARG HGx 1.0 0.0 5.0 1081 618 1 41 GLN H 1 52 ARG HGy 1.0 0.0 5.0 1082 619 1 41 GLN H 1 52 ARG HDx 1.0 0.0 5.0 1083 619 1 41 GLN H 1 52 ARG HDy 1.0 0.0 5.0 1084 620 1 41 GLN HA 1 52 ARG HDx 1.0 0.0 6.0 1085 620 1 41 GLN HA 1 52 ARG HDy 1.0 0.0 6.0 1086 621 1 52 ARG H 1 41 GLN HBx 1.0 0.0 6.0 1087 621 1 41 GLN HBy 1 52 ARG H 1.0 0.0 6.0 1088 622 1 52 ARG HA 1 41 GLN HBx 1.0 0.0 4.5 1089 622 1 41 GLN HBy 1 52 ARG HA 1.0 0.0 4.5 1090 623 1 41 GLN HBy 1 52 ARG HBx 1.0 0.0 6.0 1091 623 1 41 GLN HBx 1 52 ARG HBx 1.0 0.0 6.0 1092 623 1 52 ARG HBy 1 41 GLN HBx 1.0 0.0 6.0 1093 623 1 41 GLN HBy 1 52 ARG HBy 1.0 0.0 6.0 1094 624 1 41 GLN HBx 1 52 ARG HGx 1.0 0.0 6.0 1095 624 1 41 GLN HBy 1 52 ARG HGx 1.0 0.0 6.0 1096 624 1 52 ARG HGy 1 41 GLN HBx 1.0 0.0 6.0 1097 624 1 41 GLN HBy 1 52 ARG HGy 1.0 0.0 6.0 1098 625 1 41 GLN HBy 1 52 ARG HDx 1.0 0.0 6.0 1099 625 1 41 GLN HBx 1 52 ARG HDx 1.0 0.0 6.0 1100 625 1 52 ARG HDy 1 41 GLN HBx 1.0 0.0 6.0 1101 625 1 41 GLN HBy 1 52 ARG HDy 1.0 0.0 6.0 1102 626 1 52 ARG HA 1 41 GLN HG2 1.0 0.0 5.0 1103 626 1 41 GLN HG3 1 52 ARG HA 1.0 0.0 5.0 1104 627 1 41 GLN HG2 1 52 ARG HBx 1.0 0.0 5.0 1105 627 1 41 GLN HG3 1 52 ARG HBx 1.0 0.0 5.0 1106 627 1 52 ARG HBy 1 41 GLN HG2 1.0 0.0 5.0 1107 627 1 41 GLN HG3 1 52 ARG HBy 1.0 0.0 5.0 1108 628 1 41 GLN HG3 1 52 ARG HGx 1.0 0.0 6.0 1109 628 1 41 GLN HG2 1 52 ARG HGx 1.0 0.0 6.0 1110 628 1 52 ARG HGy 1 41 GLN HG2 1.0 0.0 6.0 1111 628 1 41 GLN HG3 1 52 ARG HGy 1.0 0.0 6.0 1112 629 1 41 GLN HG2 1 52 ARG HDx 1.0 0.0 5.0 1113 629 1 41 GLN HG3 1 52 ARG HDx 1.0 0.0 5.0 1114 629 1 52 ARG HDy 1 41 GLN HG2 1.0 0.0 5.0 1115 629 1 41 GLN HG3 1 52 ARG HDy 1.0 0.0 5.0 1116 630 1 52 ARG HE 1 41 GLN HG2 1.0 0.0 6.0 1117 630 1 52 ARG HE 1 41 GLN HG3 1.0 0.0 6.0 1118 631 1 52 ARG HA 1 41 GLN HE2y 1.0 0.0 6.0 1119 631 1 41 GLN HE2x 1 52 ARG HA 1.0 0.0 6.0 1120 632 1 41 GLN H 1 53 PHE H 1.0 0.0 5.0 1121 633 1 41 GLN HA 1 53 PHE H 1.0 0.0 6.0 1122 634 1 41 GLN HA 1 53 PHE HBx 1.0 0.0 6.0 1123 634 1 41 GLN HA 1 53 PHE HBy 1.0 0.0 6.0 1124 635 1 53 PHE H 1 41 GLN HBx 1.0 0.0 5.0 1125 635 1 41 GLN HBy 1 53 PHE H 1.0 0.0 5.0 1126 636 1 41 GLN HBy 1 53 PHE HBx 1.0 0.0 6.0 1127 636 1 41 GLN HBx 1 53 PHE HBx 1.0 0.0 6.0 1128 636 1 53 PHE HBy 1 41 GLN HBx 1.0 0.0 6.0 1129 636 1 41 GLN HBy 1 53 PHE HBy 1.0 0.0 6.0 1130 637 1 53 PHE HD% 1 41 GLN HBx 1.0 0.0 5.0 1131 637 1 53 PHE HD% 1 41 GLN HBy 1.0 0.0 5.0 1132 638 1 53 PHE HE% 1 41 GLN HBx 1.0 0.0 4.5 1133 638 1 53 PHE HE% 1 41 GLN HBy 1.0 0.0 4.5 1134 639 1 53 PHE H 1 41 GLN HG2 1.0 0.0 5.0 1135 639 1 41 GLN HG3 1 53 PHE H 1.0 0.0 5.0 1136 640 1 53 PHE HD% 1 41 GLN HG2 1.0 0.0 5.5 1137 640 1 53 PHE HD% 1 41 GLN HG3 1.0 0.0 5.5 1138 641 1 53 PHE HE% 1 41 GLN HG2 1.0 0.0 5.0 1139 641 1 53 PHE HE% 1 41 GLN HG3 1.0 0.0 5.0 1140 642 1 53 PHE H 1 41 GLN HE2y 1.0 0.0 6.0 1141 642 1 41 GLN HE2x 1 53 PHE H 1.0 0.0 6.0 1142 643 1 41 GLN HE2x 1 53 PHE HBx 1.0 0.0 6.0 1143 643 1 41 GLN HE2y 1 53 PHE HBx 1.0 0.0 6.0 1144 643 1 53 PHE HBy 1 41 GLN HE2y 1.0 0.0 6.0 1145 643 1 41 GLN HE2x 1 53 PHE HBy 1.0 0.0 6.0 1146 644 1 53 PHE HD% 1 41 GLN HE2y 1.0 0.0 5.0 1147 644 1 53 PHE HD% 1 41 GLN HE2x 1.0 0.0 5.0 1148 645 1 53 PHE HE% 1 41 GLN HE2y 1.0 0.0 6.0 1149 645 1 53 PHE HE% 1 41 GLN HE2x 1.0 0.0 6.0 1150 646 1 42 CYS H 1 42 CYS HA 1.0 0.0 5.0 1151 647 1 42 CYS H 1 42 CYS HBx 1.0 0.0 5.0 1152 647 1 42 CYS H 1 42 CYS HBy 1.0 0.0 5.0 1153 648 1 42 CYS H 1 43 ASN H 1.0 0.0 6.0 1154 649 1 42 CYS HA 1 43 ASN H 1.0 0.0 3.5 1155 650 1 42 CYS HA 1 43 ASN HBx 1.0 0.0 6.0 1156 650 1 43 ASN HBy 1 42 CYS HA 1.0 0.0 6.0 1157 651 1 43 ASN H 1 42 CYS HBx 1.0 0.0 4.0 1158 651 1 42 CYS HBy 1 43 ASN H 1.0 0.0 4.0 1159 652 1 42 CYS HA 1 44 TYR H 1.0 0.0 4.0 1160 653 1 42 CYS HA 1 48 CYS H 1.0 0.0 5.5 1161 654 1 42 CYS HA 1 48 CYS HBx 1.0 0.0 6.0 1162 654 1 42 CYS HA 1 48 CYS HBy 1.0 0.0 6.0 1163 655 1 42 CYS HBx 1 48 CYS HBx 1.0 0.0 6.0 1164 655 1 42 CYS HBy 1 48 CYS HBx 1.0 0.0 6.0 1165 655 1 48 CYS HBy 1 42 CYS HBx 1.0 0.0 6.0 1166 655 1 42 CYS HBy 1 48 CYS HBy 1.0 0.0 6.0 1167 656 1 42 CYS H 1 51 CYS H 1.0 0.0 6.0 1168 657 1 42 CYS H 1 51 CYS HBx 1.0 0.0 6.0 1169 657 1 51 CYS HBy 1 42 CYS H 1.0 0.0 6.0 1170 658 1 42 CYS H 1 52 ARG H 1.0 0.0 5.0 1171 659 1 42 CYS H 1 52 ARG HA 1.0 0.0 5.0 1172 660 1 42 CYS H 1 52 ARG HBx 1.0 0.0 6.0 1173 660 1 42 CYS H 1 52 ARG HBy 1.0 0.0 6.0 1174 661 1 42 CYS H 1 53 PHE H 1.0 0.0 6.0 1175 662 1 42 CYS H 1 53 PHE H 1.0 0.0 5.0 1176 663 1 42 CYS HA 1 53 PHE HD% 1.0 0.0 6.0 1177 664 1 42 CYS HA 1 53 PHE HE% 1.0 0.0 5.0 1178 665 1 53 PHE HD% 1 42 CYS HBx 1.0 0.0 6.0 1179 665 1 42 CYS HBy 1 53 PHE HD% 1.0 0.0 6.0 1180 666 1 53 PHE HE% 1 42 CYS HBx 1.0 0.0 6.0 1181 666 1 42 CYS HBy 1 53 PHE HE% 1.0 0.0 6.0 1182 667 1 77 SER H 1 42 CYS HBx 1.0 0.0 6.0 1183 667 1 42 CYS HBy 1 77 SER H 1.0 0.0 6.0 1184 668 1 77 SER HA 1 42 CYS HBx 1.0 0.0 5.0 1185 668 1 42 CYS HBy 1 77 SER HA 1.0 0.0 5.0 1186 669 1 43 ASN HA 1 43 ASN H 1.0 0.0 5.0 1187 670 1 43 ASN H 1 43 ASN HBx 1.0 0.0 5.0 1188 670 1 43 ASN HBy 1 43 ASN H 1.0 0.0 5.0 1189 671 1 43 ASN H 1 44 TYR H 1.0 0.0 3.0 1190 672 1 43 ASN H 1 44 TYR HBx 1.0 0.0 6.0 1191 672 1 43 ASN H 1 44 TYR HBy 1.0 0.0 6.0 1192 673 1 44 TYR HD% 1 43 ASN H 1.0 0.0 6.0 1193 674 1 43 ASN HA 1 44 TYR H 1.0 0.0 4.0 1194 675 1 44 TYR H 1 43 ASN HBx 1.0 0.0 4.0 1195 675 1 43 ASN HBy 1 44 TYR H 1.0 0.0 4.0 1196 676 1 44 TYR HD% 1 43 ASN HBx 1.0 0.0 6.0 1197 676 1 44 TYR HD% 1 43 ASN HBy 1.0 0.0 6.0 1198 677 1 44 TYR HE% 1 43 ASN HBx 1.0 0.0 6.0 1199 677 1 44 TYR HE% 1 43 ASN HBy 1.0 0.0 6.0 1200 678 1 44 TYR H 1 43 ASN HD2y 1.0 0.0 6.0 1201 678 1 43 ASN HD2x 1 44 TYR H 1.0 0.0 6.0 1202 679 1 44 TYR HD% 1 43 ASN HD2y 1.0 0.0 6.0 1203 679 1 43 ASN HD2x 1 44 TYR HD% 1.0 0.0 6.0 1204 680 1 44 TYR HE% 1 43 ASN HD2y 1.0 0.0 6.0 1205 680 1 43 ASN HD2x 1 44 TYR HE% 1.0 0.0 6.0 1206 681 1 43 ASN HBx 1 51 CYS HBx 1.0 0.0 5.0 1207 681 1 51 CYS HBy 1 43 ASN HBx 1.0 0.0 5.0 1208 681 1 43 ASN HBy 1 51 CYS HBy 1.0 0.0 5.0 1209 681 1 43 ASN HBy 1 51 CYS HBx 1.0 0.0 5.0 1210 682 1 43 ASN H 1 53 PHE HD% 1.0 0.0 6.0 1211 683 1 43 ASN H 1 53 PHE HE% 1.0 0.0 6.0 1212 684 1 44 TYR H 1 44 TYR HA 1.0 0.0 5.0 1213 685 1 44 TYR H 1 44 TYR HBx 1.0 0.0 5.0 1214 685 1 44 TYR H 1 44 TYR HBy 1.0 0.0 5.0 1215 686 1 44 TYR HD% 1 44 TYR H 1.0 0.0 5.0 1216 687 1 44 TYR HE% 1 44 TYR H 1.0 0.0 6.0 1217 688 1 44 TYR H 1 45 GLY H 1.0 0.0 5.0 1218 689 1 44 TYR H 1 45 GLY HAx 1.0 0.0 6.0 1219 689 1 44 TYR H 1 45 GLY HAy 1.0 0.0 6.0 1220 690 1 44 TYR HA 1 45 GLY H 1.0 0.0 2.5 1221 691 1 45 GLY H 1 44 TYR HBx 1.0 0.0 4.0 1222 691 1 44 TYR HBy 1 45 GLY H 1.0 0.0 4.0 1223 692 1 44 TYR HD% 1 45 GLY H 1.0 0.0 5.0 1224 693 1 44 TYR HD% 1 45 GLY HAx 1.0 0.0 5.0 1225 693 1 44 TYR HD% 1 45 GLY HAy 1.0 0.0 5.0 1226 694 1 44 TYR HE% 1 45 GLY HAx 1.0 0.0 6.0 1227 694 1 44 TYR HE% 1 45 GLY HAy 1.0 0.0 6.0 1228 695 1 44 TYR HE% 1 45 GLY H 1.0 0.0 5.0 1229 696 1 44 TYR HD% 1 46 GLU H 1.0 0.0 6.0 1230 697 1 44 TYR HE% 1 46 GLU H 1.0 0.0 6.0 1231 698 1 44 TYR H 1 48 CYS HBx 1.0 0.0 5.0 1232 698 1 44 TYR H 1 48 CYS HBy 1.0 0.0 5.0 1233 699 1 44 TYR H 1 53 PHE HD% 1.0 0.0 6.0 1234 700 1 44 TYR H 1 53 PHE HE% 1.0 0.0 6.0 1235 701 1 44 TYR H 1 77 SER HBx 1.0 0.0 5.0 1236 701 1 44 TYR H 1 77 SER HBy 1.0 0.0 5.0 1237 702 1 45 GLY H 1 45 GLY HAx 1.0 0.0 5.0 1238 702 1 45 GLY H 1 45 GLY HAy 1.0 0.0 5.0 1239 703 1 45 GLY H 1 46 GLU H 1.0 0.0 4.5 1240 704 1 46 GLU H 1 45 GLY HAx 1.0 0.0 4.0 1241 704 1 45 GLY HAy 1 46 GLU H 1.0 0.0 4.0 1242 705 1 46 GLU HA 1 45 GLY HAx 1.0 0.0 6.0 1243 705 1 45 GLY HAy 1 46 GLU HA 1.0 0.0 6.0 1244 706 1 45 GLY HAy 1 46 GLU HG2 1.0 0.0 6.0 1245 706 1 45 GLY HAx 1 46 GLU HG2 1.0 0.0 6.0 1246 706 1 46 GLU HG3 1 45 GLY HAx 1.0 0.0 6.0 1247 706 1 45 GLY HAy 1 46 GLU HG3 1.0 0.0 6.0 1248 707 1 47 CYS H 1 45 GLY HAx 1.0 0.0 5.0 1249 707 1 45 GLY HAy 1 47 CYS H 1.0 0.0 5.0 1250 708 1 45 GLY H 1 48 CYS HBx 1.0 0.0 5.0 1251 708 1 48 CYS HBy 1 45 GLY H 1.0 0.0 5.0 1252 709 1 48 CYS H 1 45 GLY HAx 1.0 0.0 6.0 1253 709 1 48 CYS H 1 45 GLY HAy 1.0 0.0 6.0 1254 710 1 45 GLY HAx 1 48 CYS HBx 1.0 0.0 6.0 1255 710 1 45 GLY HAy 1 48 CYS HBx 1.0 0.0 6.0 1256 710 1 48 CYS HBy 1 45 GLY HAx 1.0 0.0 6.0 1257 710 1 48 CYS HBy 1 45 GLY HAy 1.0 0.0 6.0 1258 711 1 45 GLY HAy 1 77 SER HBx 1.0 0.0 6.0 1259 711 1 77 SER HBy 1 45 GLY HAx 1.0 0.0 6.0 1260 711 1 45 GLY HAy 1 77 SER HBy 1.0 0.0 6.0 1261 711 1 45 GLY HAx 1 77 SER HBx 1.0 0.0 6.0 1262 712 1 46 GLU H 1 46 GLU HA 1.0 0.0 5.0 1263 713 1 46 GLU H 1 46 GLU HBx 1.0 0.0 5.0 1264 713 1 46 GLU H 1 46 GLU HBy 1.0 0.0 5.0 1265 714 1 46 GLU H 1 46 GLU HG2 1.0 0.0 5.0 1266 714 1 46 GLU H 1 46 GLU HG3 1.0 0.0 5.0 1267 715 1 46 GLU H 1 47 CYS H 1.0 0.0 4.0 1268 716 1 46 GLU HA 1 47 CYS H 1.0 0.0 4.0 1269 717 1 47 CYS H 1 46 GLU HBx 1.0 0.0 5.0 1270 717 1 47 CYS H 1 46 GLU HBy 1.0 0.0 5.0 1271 718 1 47 CYS H 1 46 GLU HG2 1.0 0.0 5.0 1272 718 1 46 GLU HG3 1 47 CYS H 1.0 0.0 5.0 1273 719 1 48 CYS H 1 46 GLU H 1.0 0.0 5.0 1274 720 1 48 CYS H 1 46 GLU HA 1.0 0.0 5.0 1275 721 1 48 CYS H 1 46 GLU HBx 1.0 0.0 6.0 1276 721 1 48 CYS H 1 46 GLU HBy 1.0 0.0 6.0 1277 722 1 48 CYS H 1 46 GLU HG2 1.0 0.0 6.0 1278 722 1 48 CYS H 1 46 GLU HG3 1.0 0.0 6.0 1279 723 1 46 GLU H 1 60 CYS HBx 1.0 0.0 6.0 1280 723 1 46 GLU H 1 60 CYS HBy 1.0 0.0 6.0 1281 724 1 46 GLU HA 1 60 CYS HBx 1.0 0.0 6.0 1282 724 1 46 GLU HA 1 60 CYS HBy 1.0 0.0 6.0 1283 725 1 60 CYS HA 1 46 GLU HBx 1.0 0.0 5.0 1284 725 1 46 GLU HBy 1 60 CYS HA 1.0 0.0 5.0 1285 726 1 46 GLU HBy 1 60 CYS HBx 1.0 0.0 4.0 1286 726 1 46 GLU HBx 1 60 CYS HBx 1.0 0.0 4.0 1287 726 1 60 CYS HBy 1 46 GLU HBx 1.0 0.0 4.0 1288 726 1 46 GLU HBy 1 60 CYS HBy 1.0 0.0 4.0 1289 727 1 60 CYS HA 1 46 GLU HG2 1.0 0.0 5.0 1290 727 1 46 GLU HG3 1 60 CYS HA 1.0 0.0 5.0 1291 728 1 46 GLU HG3 1 60 CYS HBx 1.0 0.0 5.0 1292 728 1 46 GLU HG2 1 60 CYS HBx 1.0 0.0 5.0 1293 728 1 60 CYS HBy 1 46 GLU HG2 1.0 0.0 5.0 1294 728 1 46 GLU HG3 1 60 CYS HBy 1.0 0.0 5.0 1295 729 1 77 SER HA 1 46 GLU HBx 1.0 0.0 5.0 1296 729 1 77 SER HA 1 46 GLU HBy 1.0 0.0 5.0 1297 730 1 46 GLU H 1 78 ASP HA 1.0 0.0 4.0 1298 731 1 78 ASP HA 1 46 GLU HBx 1.0 0.0 5.0 1299 731 1 46 GLU HBy 1 78 ASP HA 1.0 0.0 5.0 1300 732 1 46 GLU H 1 79 CYS H 1.0 0.0 5.0 1301 733 1 46 GLU H 1 79 CYS HBx 1.0 0.0 5.0 1302 733 1 46 GLU H 1 79 CYS HBy 1.0 0.0 5.0 1303 734 1 46 GLU HA 1 79 CYS H 1.0 0.0 6.0 1304 735 1 79 CYS H 1 46 GLU HBx 1.0 0.0 5.0 1305 735 1 46 GLU HBy 1 79 CYS H 1.0 0.0 5.0 1306 736 1 79 CYS HA 1 46 GLU HBx 1.0 0.0 6.0 1307 736 1 46 GLU HBy 1 79 CYS HA 1.0 0.0 6.0 1308 737 1 46 GLU HBy 1 79 CYS HBx 1.0 0.0 5.0 1309 737 1 46 GLU HBx 1 79 CYS HBx 1.0 0.0 5.0 1310 737 1 79 CYS HBy 1 46 GLU HBx 1.0 0.0 5.0 1311 737 1 46 GLU HBy 1 79 CYS HBy 1.0 0.0 5.0 1312 738 1 79 CYS H 1 46 GLU HG2 1.0 0.0 6.0 1313 738 1 46 GLU HG3 1 79 CYS H 1.0 0.0 6.0 1314 739 1 79 CYS HA 1 46 GLU HG2 1.0 0.0 6.0 1315 739 1 46 GLU HG3 1 79 CYS HA 1.0 0.0 6.0 1316 740 1 46 GLU HG2 1 79 CYS HBx 1.0 0.0 6.0 1317 740 1 46 GLU HG3 1 79 CYS HBx 1.0 0.0 6.0 1318 740 1 79 CYS HBy 1 46 GLU HG2 1.0 0.0 6.0 1319 740 1 46 GLU HG3 1 79 CYS HBy 1.0 0.0 6.0 1320 741 1 47 CYS H 1 47 CYS HA 1.0 0.0 5.0 1321 742 1 47 CYS H 1 47 CYS HBx 1.0 0.0 5.0 1322 742 1 47 CYS H 1 47 CYS HBy 1.0 0.0 5.0 1323 743 1 48 CYS H 1 47 CYS H 1.0 0.0 4.0 1324 744 1 47 CYS H 1 48 CYS HA 1.0 0.0 6.0 1325 745 1 47 CYS H 1 48 CYS HBx 1.0 0.0 6.0 1326 745 1 48 CYS HBy 1 47 CYS H 1.0 0.0 6.0 1327 746 1 48 CYS H 1 47 CYS HA 1.0 0.0 4.0 1328 747 1 48 CYS H 1 47 CYS HBx 1.0 0.0 5.0 1329 747 1 48 CYS H 1 47 CYS HBy 1.0 0.0 5.0 1330 748 1 48 CYS HA 1 47 CYS HBx 1.0 0.0 6.0 1331 748 1 47 CYS HBy 1 48 CYS HA 1.0 0.0 6.0 1332 749 1 53 PHE HD% 1 47 CYS HBx 1.0 0.0 6.0 1333 749 1 53 PHE HD% 1 47 CYS HBy 1.0 0.0 6.0 1334 750 1 47 CYS HA 1 54 LYS HB2 1.0 0.0 5.0 1335 750 1 47 CYS HA 1 54 LYS HB3 1.0 0.0 5.0 1336 751 1 47 CYS HA 1 54 LYS HGx 1.0 0.0 5.0 1337 751 1 47 CYS HA 1 54 LYS HGy 1.0 0.0 5.0 1338 752 1 47 CYS HA 1 54 LYS HD2 1.0 0.0 5.0 1339 752 1 47 CYS HA 1 54 LYS HD3 1.0 0.0 5.0 1340 753 1 54 LYS H 1 47 CYS HBx 1.0 0.0 5.0 1341 753 1 47 CYS HBy 1 54 LYS H 1.0 0.0 5.0 1342 754 1 47 CYS HBx 1 54 LYS HB2 1.0 0.0 6.0 1343 754 1 47 CYS HBy 1 54 LYS HB2 1.0 0.0 6.0 1344 754 1 54 LYS HB3 1 47 CYS HBx 1.0 0.0 6.0 1345 754 1 47 CYS HBy 1 54 LYS HB3 1.0 0.0 6.0 1346 755 1 47 CYS HA 1 58 THR HB 1.0 0.0 5.0 1347 756 1 47 CYS HA 1 58 THR HG2% 1.0 0.0 6.0 1348 757 1 47 CYS HA 1 72 CYS HBx 1.0 0.0 6.0 1349 757 1 47 CYS HA 1 72 CYS HBy 1.0 0.0 6.0 1350 758 1 72 CYS H 1 47 CYS HBx 1.0 0.0 6.0 1351 758 1 47 CYS HBy 1 72 CYS H 1.0 0.0 6.0 1352 759 1 47 CYS HBy 1 72 CYS HBx 1.0 0.0 5.0 1353 759 1 47 CYS HBx 1 72 CYS HBx 1.0 0.0 5.0 1354 759 1 72 CYS HBy 1 47 CYS HBx 1.0 0.0 5.0 1355 759 1 47 CYS HBy 1 72 CYS HBy 1.0 0.0 5.0 1356 760 1 47 CYS HA 1 73 THR H 1.0 0.0 6.0 1357 761 1 73 THR H 1 47 CYS HBx 1.0 0.0 6.0 1358 761 1 47 CYS HBy 1 73 THR H 1.0 0.0 6.0 1359 762 1 76 SER H 1 47 CYS HBx 1.0 0.0 6.0 1360 762 1 47 CYS HBy 1 76 SER H 1.0 0.0 6.0 1361 763 1 77 SER HA 1 47 CYS H 1.0 0.0 5.0 1362 764 1 77 SER H 1 47 CYS HBx 1.0 0.0 6.0 1363 764 1 77 SER H 1 47 CYS HBy 1.0 0.0 6.0 1364 765 1 77 SER HA 1 47 CYS HBx 1.0 0.0 4.0 1365 765 1 77 SER HA 1 47 CYS HBy 1.0 0.0 4.0 1366 766 1 47 CYS HBx 1 77 SER HBx 1.0 0.0 6.0 1367 766 1 47 CYS HBy 1 77 SER HBx 1.0 0.0 6.0 1368 766 1 77 SER HBy 1 47 CYS HBx 1.0 0.0 6.0 1369 766 1 77 SER HBy 1 47 CYS HBy 1.0 0.0 6.0 1370 767 1 47 CYS H 1 78 ASP HA 1.0 0.0 4.0 1371 768 1 47 CYS H 1 78 ASP HBx 1.0 0.0 6.0 1372 768 1 47 CYS H 1 78 ASP HBy 1.0 0.0 6.0 1373 769 1 78 ASP H 1 47 CYS HBx 1.0 0.0 6.0 1374 769 1 47 CYS HBy 1 78 ASP H 1.0 0.0 6.0 1375 770 1 47 CYS H 1 79 CYS H 1.0 0.0 6.0 1376 771 1 47 CYS H 1 79 CYS HBx 1.0 0.0 6.0 1377 771 1 47 CYS H 1 79 CYS HBy 1.0 0.0 6.0 1378 772 1 79 CYS HA 1 47 CYS HBx 1.0 0.0 6.0 1379 772 1 79 CYS HA 1 47 CYS HBy 1.0 0.0 6.0 1380 773 1 48 CYS H 1 48 CYS HA 1.0 0.0 5.0 1381 774 1 48 CYS H 1 48 CYS HBx 1.0 0.0 5.0 1382 774 1 48 CYS HBy 1 48 CYS H 1.0 0.0 5.0 1383 775 1 48 CYS H 1 49 ASP H 1.0 0.0 5.0 1384 776 1 48 CYS HA 1 49 ASP H 1.0 0.0 3.0 1385 777 1 48 CYS HA 1 49 ASP HBx 1.0 0.0 5.0 1386 777 1 48 CYS HA 1 49 ASP HBy 1.0 0.0 5.0 1387 778 1 49 ASP H 1 48 CYS HBx 1.0 0.0 6.0 1388 778 1 48 CYS HBy 1 49 ASP H 1.0 0.0 6.0 1389 779 1 52 ARG H 1 48 CYS HA 1.0 0.0 5.0 1390 780 1 48 CYS H 1 53 PHE HA 1.0 0.0 6.0 1391 781 1 53 PHE HD% 1 48 CYS H 1.0 0.0 6.0 1392 782 1 53 PHE HE% 1 48 CYS H 1.0 0.0 6.0 1393 783 1 53 PHE H 1 48 CYS HA 1.0 0.0 6.0 1394 784 1 48 CYS HA 1 53 PHE HA 1.0 0.0 5.0 1395 785 1 53 PHE HD% 1 48 CYS HA 1.0 0.0 4.0 1396 786 1 53 PHE HE% 1 48 CYS HA 1.0 0.0 5.0 1397 787 1 53 PHE HD% 1 48 CYS HBx 1.0 0.0 5.0 1398 787 1 48 CYS HBy 1 53 PHE HD% 1.0 0.0 5.0 1399 788 1 53 PHE HE% 1 48 CYS HBx 1.0 0.0 5.0 1400 788 1 48 CYS HBy 1 53 PHE HE% 1.0 0.0 5.0 1401 789 1 48 CYS H 1 54 LYS H 1.0 0.0 6.0 1402 790 1 48 CYS H 1 54 LYS HB2 1.0 0.0 6.0 1403 790 1 48 CYS H 1 54 LYS HB3 1.0 0.0 6.0 1404 791 1 48 CYS H 1 54 LYS HGx 1.0 0.0 6.0 1405 791 1 48 CYS H 1 54 LYS HGy 1.0 0.0 6.0 1406 792 1 48 CYS H 1 54 LYS HD2 1.0 0.0 6.0 1407 792 1 48 CYS H 1 54 LYS HD3 1.0 0.0 6.0 1408 793 1 48 CYS H 1 54 LYS HE2 1.0 0.0 5.0 1409 793 1 48 CYS H 1 54 LYS HE3 1.0 0.0 5.0 1410 794 1 48 CYS HA 1 54 LYS H 1.0 0.0 4.0 1411 795 1 48 CYS HA 1 54 LYS HA 1.0 0.0 6.0 1412 796 1 48 CYS HA 1 54 LYS HB2 1.0 0.0 6.0 1413 796 1 48 CYS HA 1 54 LYS HB3 1.0 0.0 6.0 1414 797 1 48 CYS HA 1 54 LYS HGx 1.0 0.0 6.0 1415 797 1 48 CYS HA 1 54 LYS HGy 1.0 0.0 6.0 1416 798 1 48 CYS H 1 77 SER HA 1.0 0.0 5.0 1417 799 1 77 SER HA 1 48 CYS HA 1.0 0.0 5.0 1418 800 1 77 SER HA 1 48 CYS HBx 1.0 0.0 5.0 1419 800 1 48 CYS HBy 1 77 SER HA 1.0 0.0 5.0 1420 801 1 49 ASP H 1 49 ASP HA 1.0 0.0 5.0 1421 802 1 49 ASP H 1 49 ASP HBx 1.0 0.0 5.0 1422 802 1 49 ASP H 1 49 ASP HBy 1.0 0.0 5.0 1423 803 1 49 ASP H 1 50 GLN H 1.0 0.0 5.0 1424 804 1 49 ASP H 1 50 GLN HA 1.0 0.0 6.0 1425 805 1 49 ASP H 1 50 GLN HBx 1.0 0.0 6.0 1426 805 1 49 ASP H 1 50 GLN HBy 1.0 0.0 6.0 1427 806 1 49 ASP HA 1 50 GLN H 1.0 0.0 3.0 1428 807 1 49 ASP HA 1 50 GLN HA 1.0 0.0 4.5 1429 808 1 49 ASP HA 1 50 GLN HBx 1.0 0.0 5.0 1430 808 1 49 ASP HA 1 50 GLN HBy 1.0 0.0 5.0 1431 809 1 49 ASP HA 1 50 GLN HGx 1.0 0.0 6.0 1432 809 1 49 ASP HA 1 50 GLN HGy 1.0 0.0 6.0 1433 810 1 50 GLN H 1 49 ASP HBx 1.0 0.0 5.0 1434 810 1 49 ASP HBy 1 50 GLN H 1.0 0.0 5.0 1435 811 1 51 CYS H 1 49 ASP H 1.0 0.0 5.0 1436 812 1 51 CYS H 1 49 ASP HA 1.0 0.0 4.0 1437 813 1 52 ARG H 1 49 ASP H 1.0 0.0 4.0 1438 814 1 49 ASP H 1 52 ARG HBx 1.0 0.0 5.0 1439 814 1 52 ARG HBy 1 49 ASP H 1.0 0.0 5.0 1440 815 1 49 ASP H 1 52 ARG HGx 1.0 0.0 6.0 1441 815 1 52 ARG HGy 1 49 ASP H 1.0 0.0 6.0 1442 816 1 52 ARG H 1 49 ASP HA 1.0 0.0 5.0 1443 817 1 53 PHE H 1 49 ASP H 1.0 0.0 6.0 1444 818 1 49 ASP H 1 53 PHE HA 1.0 0.0 5.0 1445 819 1 53 PHE HD% 1 49 ASP H 1.0 0.0 6.0 1446 820 1 54 LYS H 1 49 ASP H 1.0 0.0 5.0 1447 821 1 49 ASP H 1 54 LYS HA 1.0 0.0 6.0 1448 822 1 49 ASP H 1 54 LYS HB2 1.0 0.0 6.0 1449 822 1 54 LYS HB3 1 49 ASP H 1.0 0.0 6.0 1450 823 1 49 ASP H 1 54 LYS HGx 1.0 0.0 5.0 1451 823 1 54 LYS HGy 1 49 ASP H 1.0 0.0 5.0 1452 824 1 49 ASP H 1 54 LYS HD2 1.0 0.0 6.0 1453 824 1 54 LYS HD3 1 49 ASP H 1.0 0.0 6.0 1454 825 1 49 ASP H 1 54 LYS HE2 1.0 0.0 6.0 1455 825 1 49 ASP H 1 54 LYS HE3 1.0 0.0 6.0 1456 826 1 49 ASP HA 1 54 LYS HGx 1.0 0.0 6.0 1457 826 1 54 LYS HGy 1 49 ASP HA 1.0 0.0 6.0 1458 827 1 54 LYS H 1 49 ASP HBx 1.0 0.0 5.0 1459 827 1 54 LYS H 1 49 ASP HBy 1.0 0.0 5.0 1460 828 1 54 LYS HA 1 49 ASP HBx 1.0 0.0 5.0 1461 828 1 49 ASP HBy 1 54 LYS HA 1.0 0.0 5.0 1462 829 1 49 ASP HBy 1 54 LYS HB2 1.0 0.0 5.0 1463 829 1 49 ASP HBx 1 54 LYS HB2 1.0 0.0 5.0 1464 829 1 54 LYS HB3 1 49 ASP HBx 1.0 0.0 5.0 1465 829 1 54 LYS HB3 1 49 ASP HBy 1.0 0.0 5.0 1466 830 1 49 ASP HBy 1 54 LYS HGx 1.0 0.0 4.0 1467 830 1 49 ASP HBx 1 54 LYS HGx 1.0 0.0 4.0 1468 830 1 54 LYS HGy 1 49 ASP HBx 1.0 0.0 4.0 1469 830 1 54 LYS HGy 1 49 ASP HBy 1.0 0.0 4.0 1470 831 1 49 ASP HBy 1 54 LYS HD2 1.0 0.0 5.0 1471 831 1 49 ASP HBx 1 54 LYS HD2 1.0 0.0 5.0 1472 831 1 54 LYS HD3 1 49 ASP HBx 1.0 0.0 5.0 1473 831 1 54 LYS HD3 1 49 ASP HBy 1.0 0.0 5.0 1474 832 1 49 ASP HBx 1 54 LYS HE2 1.0 0.0 4.0 1475 832 1 49 ASP HBy 1 54 LYS HE2 1.0 0.0 4.0 1476 832 1 54 LYS HE3 1 49 ASP HBx 1.0 0.0 4.0 1477 832 1 49 ASP HBy 1 54 LYS HE3 1.0 0.0 4.0 1478 833 1 55 LYS H 1 49 ASP HBx 1.0 0.0 6.0 1479 833 1 49 ASP HBy 1 55 LYS H 1.0 0.0 6.0 1480 834 1 50 GLN H 1 50 GLN HA 1.0 0.0 5.0 1481 835 1 50 GLN H 1 50 GLN HBx 1.0 0.0 5.0 1482 835 1 50 GLN H 1 50 GLN HBy 1.0 0.0 5.0 1483 836 1 50 GLN H 1 50 GLN HGx 1.0 0.0 5.0 1484 836 1 50 GLN H 1 50 GLN HGy 1.0 0.0 5.0 1485 837 1 51 CYS H 1 50 GLN H 1.0 0.0 4.0 1486 838 1 51 CYS HA 1 50 GLN H 1.0 0.0 5.0 1487 839 1 51 CYS H 1 50 GLN HA 1.0 0.0 4.0 1488 840 1 51 CYS H 1 50 GLN HBx 1.0 0.0 5.0 1489 840 1 51 CYS H 1 50 GLN HBy 1.0 0.0 5.0 1490 841 1 51 CYS H 1 50 GLN HGx 1.0 0.0 5.0 1491 841 1 51 CYS H 1 50 GLN HGy 1.0 0.0 5.0 1492 842 1 52 ARG H 1 50 GLN H 1.0 0.0 5.0 1493 843 1 52 ARG H 1 50 GLN HA 1.0 0.0 5.5 1494 844 1 52 ARG H 1 50 GLN HBx 1.0 0.0 5.0 1495 844 1 52 ARG H 1 50 GLN HBy 1.0 0.0 5.0 1496 845 1 51 CYS HA 1 51 CYS H 1.0 0.0 5.0 1497 846 1 51 CYS H 1 51 CYS HBx 1.0 0.0 5.0 1498 846 1 51 CYS HBy 1 51 CYS H 1.0 0.0 5.0 1499 847 1 51 CYS H 1 52 ARG H 1.0 0.0 4.0 1500 848 1 51 CYS H 1 52 ARG HBx 1.0 0.0 6.0 1501 848 1 51 CYS H 1 52 ARG HBy 1.0 0.0 6.0 1502 849 1 51 CYS HA 1 52 ARG H 1.0 0.0 5.0 1503 850 1 52 ARG H 1 51 CYS HBx 1.0 0.0 6.0 1504 850 1 51 CYS HBy 1 52 ARG H 1.0 0.0 6.0 1505 851 1 51 CYS HBx 1 52 ARG HGx 1.0 0.0 6.0 1506 851 1 51 CYS HBy 1 52 ARG HGx 1.0 0.0 6.0 1507 851 1 52 ARG HGy 1 51 CYS HBx 1.0 0.0 6.0 1508 851 1 51 CYS HBy 1 52 ARG HGy 1.0 0.0 6.0 1509 852 1 52 ARG H 1 52 ARG HA 1.0 0.0 5.0 1510 853 1 52 ARG H 1 52 ARG HBx 1.0 0.0 5.0 1511 853 1 52 ARG H 1 52 ARG HBy 1.0 0.0 5.0 1512 854 1 52 ARG H 1 52 ARG HGx 1.0 0.0 5.0 1513 854 1 52 ARG HGy 1 52 ARG H 1.0 0.0 5.0 1514 855 1 52 ARG H 1 52 ARG HDx 1.0 0.0 5.0 1515 855 1 52 ARG H 1 52 ARG HDy 1.0 0.0 5.0 1516 856 1 52 ARG H 1 53 PHE H 1.0 0.0 5.0 1517 857 1 52 ARG HA 1 53 PHE H 1.0 0.0 3.0 1518 858 1 52 ARG HA 1 53 PHE HBx 1.0 0.0 6.0 1519 858 1 52 ARG HA 1 53 PHE HBy 1.0 0.0 6.0 1520 859 1 53 PHE HD% 1 52 ARG HA 1.0 0.0 5.0 1521 860 1 53 PHE HE% 1 52 ARG HA 1.0 0.0 6.0 1522 861 1 53 PHE H 1 52 ARG HBx 1.0 0.0 4.0 1523 861 1 52 ARG HBy 1 53 PHE H 1.0 0.0 4.0 1524 862 1 52 ARG HBy 1 53 PHE HBx 1.0 0.0 6.0 1525 862 1 52 ARG HBx 1 53 PHE HBx 1.0 0.0 6.0 1526 862 1 53 PHE HBy 1 52 ARG HBx 1.0 0.0 6.0 1527 862 1 52 ARG HBy 1 53 PHE HBy 1.0 0.0 6.0 1528 863 1 53 PHE H 1 52 ARG HGx 1.0 0.0 5.0 1529 863 1 52 ARG HGy 1 53 PHE H 1.0 0.0 5.0 1530 864 1 53 PHE H 1 52 ARG HDx 1.0 0.0 5.0 1531 864 1 52 ARG HDy 1 53 PHE H 1.0 0.0 5.0 1532 865 1 52 ARG HE 1 53 PHE H 1.0 0.0 5.0 1533 866 1 52 ARG H 1 54 LYS HGx 1.0 0.0 6.0 1534 866 1 52 ARG H 1 54 LYS HGy 1.0 0.0 6.0 1535 867 1 53 PHE H 1 53 PHE HA 1.0 0.0 5.0 1536 868 1 53 PHE H 1 53 PHE HBx 1.0 0.0 5.0 1537 868 1 53 PHE H 1 53 PHE HBy 1.0 0.0 5.0 1538 869 1 53 PHE HD% 1 53 PHE H 1.0 0.0 5.0 1539 870 1 53 PHE HE% 1 53 PHE H 1.0 0.0 6.0 1540 871 1 53 PHE H 1 54 LYS H 1.0 0.0 5.0 1541 872 1 54 LYS H 1 53 PHE HA 1.0 0.0 3.0 1542 873 1 53 PHE HA 1 54 LYS HA 1.0 0.0 5.0 1543 874 1 53 PHE HA 1 54 LYS HB2 1.0 0.0 6.0 1544 874 1 54 LYS HB3 1 53 PHE HA 1.0 0.0 6.0 1545 875 1 53 PHE HA 1 54 LYS HGx 1.0 0.0 6.0 1546 875 1 54 LYS HGy 1 53 PHE HA 1.0 0.0 6.0 1547 876 1 54 LYS H 1 53 PHE HBx 1.0 0.0 4.0 1548 876 1 53 PHE HBy 1 54 LYS H 1.0 0.0 4.0 1549 877 1 53 PHE HD% 1 54 LYS H 1.0 0.0 4.0 1550 878 1 53 PHE HD% 1 54 LYS HGx 1.0 0.0 6.0 1551 878 1 53 PHE HD% 1 54 LYS HGy 1.0 0.0 6.0 1552 879 1 53 PHE HE% 1 54 LYS H 1.0 0.0 5.5 1553 880 1 53 PHE HA 1 55 LYS H 1.0 0.0 6.0 1554 881 1 56 ALA HA 1 53 PHE HBx 1.0 0.0 6.0 1555 881 1 53 PHE HBy 1 56 ALA HA 1.0 0.0 6.0 1556 882 1 56 ALA H 1 53 PHE HBx 1.0 0.0 6.0 1557 882 1 53 PHE HBy 1 56 ALA H 1.0 0.0 6.0 1558 883 1 53 PHE HD% 1 56 ALA H 1.0 0.0 6.0 1559 884 1 74 GLY H 1 53 PHE HBx 1.0 0.0 6.0 1560 884 1 53 PHE HBy 1 74 GLY H 1.0 0.0 6.0 1561 885 1 53 PHE HD% 1 74 GLY HAx 1.0 0.0 5.0 1562 885 1 53 PHE HD% 1 74 GLY HAy 1.0 0.0 5.0 1563 886 1 53 PHE HD% 1 74 GLY H 1.0 0.0 6.0 1564 887 1 53 PHE HD% 1 75 LYS H 1.0 0.0 6.0 1565 888 1 53 PHE HD% 1 75 LYS HA 1.0 0.0 4.0 1566 889 1 53 PHE HD% 1 75 LYS HBx 1.0 0.0 5.0 1567 889 1 53 PHE HD% 1 75 LYS HBy 1.0 0.0 5.0 1568 890 1 53 PHE HD% 1 75 LYS HG2 1.0 0.0 5.0 1569 890 1 53 PHE HD% 1 75 LYS HG3 1.0 0.0 5.0 1570 891 1 53 PHE HD% 1 75 LYS HDx 1.0 0.0 6.0 1571 891 1 53 PHE HD% 1 75 LYS HDy 1.0 0.0 6.0 1572 892 1 53 PHE HE% 1 75 LYS H 1.0 0.0 6.0 1573 893 1 53 PHE HE% 1 75 LYS HA 1.0 0.0 5.0 1574 894 1 53 PHE HE% 1 75 LYS HBx 1.0 0.0 5.0 1575 894 1 53 PHE HE% 1 75 LYS HBy 1.0 0.0 5.0 1576 895 1 53 PHE HE% 1 75 LYS HG2 1.0 0.0 6.0 1577 895 1 53 PHE HE% 1 75 LYS HG3 1.0 0.0 6.0 1578 896 1 53 PHE H 1 76 SER H 1.0 0.0 6.0 1579 897 1 76 SER H 1 53 PHE HA 1.0 0.0 6.0 1580 898 1 76 SER H 1 53 PHE HBx 1.0 0.0 6.0 1581 898 1 53 PHE HBy 1 76 SER H 1.0 0.0 6.0 1582 899 1 53 PHE HD% 1 76 SER H 1.0 0.0 5.0 1583 900 1 53 PHE HD% 1 76 SER HA 1.0 0.0 5.0 1584 901 1 53 PHE HD% 1 76 SER HBx 1.0 0.0 6.0 1585 901 1 53 PHE HD% 1 76 SER HBy 1.0 0.0 6.0 1586 902 1 53 PHE HE% 1 76 SER H 1.0 0.0 5.0 1587 903 1 53 PHE HE% 1 76 SER HA 1.0 0.0 4.0 1588 904 1 53 PHE HE% 1 76 SER HBx 1.0 0.0 5.0 1589 904 1 53 PHE HE% 1 76 SER HBy 1.0 0.0 5.0 1590 905 1 77 SER HA 1 53 PHE HA 1.0 0.0 5.0 1591 906 1 53 PHE HD% 1 77 SER H 1.0 0.0 5.0 1592 907 1 53 PHE HD% 1 77 SER HA 1.0 0.0 4.0 1593 908 1 53 PHE HD% 1 77 SER HBx 1.0 0.0 5.0 1594 908 1 53 PHE HD% 1 77 SER HBy 1.0 0.0 5.0 1595 909 1 53 PHE HE% 1 77 SER H 1.0 0.0 4.0 1596 910 1 53 PHE HE% 1 77 SER HA 1.0 0.0 4.0 1597 911 1 53 PHE HE% 1 77 SER HBx 1.0 0.0 5.0 1598 911 1 53 PHE HE% 1 77 SER HBy 1.0 0.0 5.0 1599 912 1 78 ASP H 1 53 PHE HBx 1.0 0.0 6.0 1600 912 1 53 PHE HBy 1 78 ASP H 1.0 0.0 6.0 1601 913 1 53 PHE HD% 1 78 ASP H 1.0 0.0 6.0 1602 914 1 53 PHE HE% 1 78 ASP H 1.0 0.0 5.0 1603 915 1 54 LYS H 1 54 LYS HA 1.0 0.0 5.0 1604 916 1 54 LYS H 1 54 LYS HB2 1.0 0.0 5.0 1605 916 1 54 LYS HB3 1 54 LYS H 1.0 0.0 5.0 1606 917 1 54 LYS H 1 54 LYS HGx 1.0 0.0 5.0 1607 917 1 54 LYS HGy 1 54 LYS H 1.0 0.0 5.0 1608 918 1 54 LYS H 1 54 LYS HD2 1.0 0.0 5.0 1609 918 1 54 LYS HD3 1 54 LYS H 1.0 0.0 5.0 1610 919 1 54 LYS H 1 55 LYS H 1.0 0.0 5.0 1611 920 1 54 LYS HA 1 55 LYS H 1.0 0.0 2.2 1612 921 1 54 LYS HA 1 55 LYS HBx 1.0 0.0 5.0 1613 921 1 54 LYS HA 1 55 LYS HBy 1.0 0.0 5.0 1614 922 1 55 LYS H 1 54 LYS HB2 1.0 0.0 4.0 1615 922 1 54 LYS HB3 1 55 LYS H 1.0 0.0 4.0 1616 923 1 55 LYS H 1 54 LYS HGx 1.0 0.0 5.0 1617 923 1 54 LYS HGy 1 55 LYS H 1.0 0.0 5.0 1618 924 1 55 LYS H 1 54 LYS HD2 1.0 0.0 6.0 1619 924 1 54 LYS HD3 1 55 LYS H 1.0 0.0 6.0 1620 925 1 55 LYS H 1 54 LYS HE2 1.0 0.0 6.0 1621 925 1 54 LYS HE3 1 55 LYS H 1.0 0.0 6.0 1622 926 1 54 LYS H 1 58 THR HB 1.0 0.0 6.0 1623 927 1 54 LYS H 1 58 THR HG2% 1.0 0.0 5.0 1624 928 1 58 THR HG2% 1 54 LYS HB2 1.0 0.0 5.0 1625 928 1 54 LYS HB3 1 58 THR HG2% 1.0 0.0 5.0 1626 929 1 58 THR H 1 54 LYS HB2 1.0 0.0 6.0 1627 929 1 54 LYS HB3 1 58 THR H 1.0 0.0 6.0 1628 930 1 58 THR HB 1 54 LYS HB2 1.0 0.0 5.0 1629 930 1 54 LYS HB3 1 58 THR HB 1.0 0.0 5.0 1630 931 1 58 THR H 1 54 LYS HGx 1.0 0.0 6.0 1631 931 1 54 LYS HGy 1 58 THR H 1.0 0.0 6.0 1632 932 1 58 THR HB 1 54 LYS HGx 1.0 0.0 6.0 1633 932 1 54 LYS HGy 1 58 THR HB 1.0 0.0 6.0 1634 933 1 58 THR HG2% 1 54 LYS HGx 1.0 0.0 5.0 1635 933 1 54 LYS HGy 1 58 THR HG2% 1.0 0.0 5.0 1636 934 1 58 THR H 1 54 LYS HD2 1.0 0.0 6.0 1637 934 1 54 LYS HD3 1 58 THR H 1.0 0.0 6.0 1638 935 1 58 THR HB 1 54 LYS HD2 1.0 0.0 5.0 1639 935 1 54 LYS HD3 1 58 THR HB 1.0 0.0 5.0 1640 936 1 58 THR HG2% 1 54 LYS HD2 1.0 0.0 4.0 1641 936 1 54 LYS HD3 1 58 THR HG2% 1.0 0.0 4.0 1642 937 1 58 THR HG2% 1 54 LYS HE2 1.0 0.0 4.0 1643 937 1 58 THR HG2% 1 54 LYS HE3 1.0 0.0 4.0 1644 938 1 58 THR HG2% 1 54 LYS HZ% 1.0 0.0 5.0 1645 939 1 54 LYS HA 1 72 CYS HBx 1.0 0.0 5.0 1646 939 1 72 CYS HBy 1 54 LYS HA 1.0 0.0 5.0 1647 940 1 72 CYS H 1 54 LYS HB2 1.0 0.0 6.0 1648 940 1 54 LYS HB3 1 72 CYS H 1.0 0.0 6.0 1649 941 1 54 LYS HB2 1 72 CYS HBx 1.0 0.0 5.0 1650 941 1 54 LYS HB3 1 72 CYS HBx 1.0 0.0 5.0 1651 941 1 72 CYS HBy 1 54 LYS HB2 1.0 0.0 5.0 1652 941 1 54 LYS HB3 1 72 CYS HBy 1.0 0.0 5.0 1653 942 1 77 SER HA 1 54 LYS H 1.0 0.0 5.0 1654 943 1 55 LYS H 1 55 LYS HA 1.0 0.0 5.0 1655 944 1 55 LYS H 1 55 LYS HBx 1.0 0.0 5.0 1656 944 1 55 LYS H 1 55 LYS HBy 1.0 0.0 5.0 1657 945 1 55 LYS H 1 55 LYS HGx 1.0 0.0 5.0 1658 945 1 55 LYS H 1 55 LYS HGy 1.0 0.0 5.0 1659 946 1 55 LYS H 1 55 LYS HD2 1.0 0.0 5.0 1660 946 1 55 LYS H 1 55 LYS HD3 1.0 0.0 5.0 1661 947 1 55 LYS H 1 55 LYS HE2 1.0 0.0 6.0 1662 947 1 55 LYS H 1 55 LYS HE3 1.0 0.0 6.0 1663 948 1 55 LYS H 1 56 ALA H 1.0 0.0 4.5 1664 949 1 55 LYS H 1 56 ALA HB% 1.0 0.0 6.0 1665 950 1 56 ALA H 1 55 LYS HA 1.0 0.0 2.2 1666 951 1 55 LYS HA 1 56 ALA HB% 1.0 0.0 4.0 1667 952 1 56 ALA H 1 55 LYS HBx 1.0 0.0 4.0 1668 952 1 56 ALA H 1 55 LYS HBy 1.0 0.0 4.0 1669 953 1 56 ALA H 1 55 LYS HGx 1.0 0.0 4.0 1670 953 1 56 ALA H 1 55 LYS HGy 1.0 0.0 4.0 1671 954 1 56 ALA H 1 55 LYS HE2 1.0 0.0 5.0 1672 954 1 56 ALA H 1 55 LYS HE3 1.0 0.0 5.0 1673 955 1 56 ALA HB% 1 55 LYS HE2 1.0 0.0 6.0 1674 955 1 55 LYS HE3 1 56 ALA HB% 1.0 0.0 6.0 1675 956 1 58 THR HB 1 55 LYS H 1.0 0.0 5.0 1676 957 1 58 THR HG2% 1 55 LYS H 1.0 0.0 5.0 1677 958 1 58 THR H 1 55 LYS HA 1.0 0.0 6.0 1678 959 1 58 THR H 1 55 LYS HBx 1.0 0.0 5.0 1679 959 1 55 LYS HBy 1 58 THR H 1.0 0.0 5.0 1680 960 1 58 THR HB 1 55 LYS HBx 1.0 0.0 6.0 1681 960 1 58 THR HB 1 55 LYS HBy 1.0 0.0 6.0 1682 961 1 58 THR HG2% 1 55 LYS HBx 1.0 0.0 6.0 1683 961 1 58 THR HG2% 1 55 LYS HBy 1.0 0.0 6.0 1684 962 1 58 THR H 1 55 LYS HGx 1.0 0.0 5.0 1685 962 1 58 THR H 1 55 LYS HGy 1.0 0.0 5.0 1686 963 1 74 GLY H 1 55 LYS HA 1.0 0.0 5.0 1687 964 1 55 LYS HA 1 74 GLY HAx 1.0 0.0 4.0 1688 964 1 74 GLY HAy 1 55 LYS HA 1.0 0.0 4.0 1689 965 1 56 ALA HA 1 56 ALA H 1.0 0.0 5.0 1690 966 1 56 ALA H 1 56 ALA HB% 1.0 0.0 5.0 1691 967 1 56 ALA H 1 57 GLY H 1.0 0.0 4.5 1692 968 1 56 ALA H 1 57 GLY HAx 1.0 0.0 6.0 1693 968 1 56 ALA H 1 57 GLY HAy 1.0 0.0 6.0 1694 969 1 56 ALA HA 1 57 GLY H 1.0 0.0 2.5 1695 970 1 56 ALA HA 1 57 GLY HAx 1.0 0.0 4.0 1696 970 1 56 ALA HA 1 57 GLY HAy 1.0 0.0 4.0 1697 971 1 56 ALA HB% 1 57 GLY H 1.0 0.0 4.0 1698 972 1 56 ALA HB% 1 57 GLY HAx 1.0 0.0 5.0 1699 972 1 56 ALA HB% 1 57 GLY HAy 1.0 0.0 5.0 1700 973 1 56 ALA H 1 58 THR H 1.0 0.0 5.0 1701 974 1 56 ALA HA 1 58 THR H 1.0 0.0 4.0 1702 975 1 58 THR H 1 56 ALA HB% 1.0 0.0 5.0 1703 976 1 56 ALA HB% 1 71 TYR HB2 1.0 0.0 6.0 1704 976 1 56 ALA HB% 1 71 TYR HB3 1.0 0.0 6.0 1705 977 1 56 ALA HB% 1 71 TYR HD% 1.0 0.0 6.0 1706 978 1 56 ALA HB% 1 71 TYR HE% 1.0 0.0 6.0 1707 979 1 56 ALA HA 1 72 CYS HBx 1.0 0.0 5.0 1708 979 1 72 CYS HBy 1 56 ALA HA 1.0 0.0 5.0 1709 980 1 72 CYS H 1 56 ALA HB% 1.0 0.0 6.0 1710 981 1 56 ALA HB% 1 72 CYS HBx 1.0 0.0 6.0 1711 981 1 72 CYS HBy 1 56 ALA HB% 1.0 0.0 6.0 1712 982 1 56 ALA H 1 73 THR HG2% 1.0 0.0 6.0 1713 983 1 73 THR H 1 56 ALA HA 1.0 0.0 5.0 1714 984 1 56 ALA HA 1 73 THR HA 1.0 0.0 4.0 1715 985 1 56 ALA HA 1 73 THR HG2% 1.0 0.0 5.0 1716 986 1 73 THR H 1 56 ALA HB% 1.0 0.0 5.0 1717 987 1 56 ALA H 1 74 GLY H 1.0 0.0 5.0 1718 988 1 56 ALA H 1 74 GLY HAx 1.0 0.0 4.0 1719 988 1 56 ALA H 1 74 GLY HAy 1.0 0.0 4.0 1720 989 1 56 ALA HA 1 74 GLY H 1.0 0.0 5.0 1721 990 1 56 ALA HA 1 74 GLY HAx 1.0 0.0 5.0 1722 990 1 56 ALA HA 1 74 GLY HAy 1.0 0.0 5.0 1723 991 1 74 GLY H 1 56 ALA HB% 1.0 0.0 5.0 1724 992 1 56 ALA HB% 1 74 GLY HAx 1.0 0.0 4.0 1725 992 1 74 GLY HAy 1 56 ALA HB% 1.0 0.0 4.0 1726 993 1 56 ALA H 1 75 LYS H 1.0 0.0 6.0 1727 994 1 75 LYS H 1 56 ALA HB% 1.0 0.0 6.0 1728 995 1 56 ALA HB% 1 75 LYS HE2 1.0 0.0 6.0 1729 995 1 56 ALA HB% 1 75 LYS HE3 1.0 0.0 6.0 1730 996 1 76 SER H 1 56 ALA H 1.0 0.0 6.0 1731 997 1 76 SER H 1 56 ALA HB% 1.0 0.0 6.0 1732 998 1 57 GLY H 1 57 GLY HAx 1.0 0.0 5.0 1733 998 1 57 GLY H 1 57 GLY HAy 1.0 0.0 5.0 1734 999 1 58 THR H 1 57 GLY H 1.0 0.0 4.0 1735 1000 1 58 THR H 1 57 GLY HAx 1.0 0.0 4.0 1736 1000 1 58 THR H 1 57 GLY HAy 1.0 0.0 4.0 1737 1001 1 58 THR HG2% 1 57 GLY HAx 1.0 0.0 6.0 1738 1001 1 58 THR HG2% 1 57 GLY HAy 1.0 0.0 6.0 1739 1002 1 59 VAL H 1 57 GLY HAx 1.0 0.0 6.0 1740 1002 1 57 GLY HAy 1 59 VAL H 1.0 0.0 6.0 1741 1003 1 57 GLY HAy 1 59 VAL HGx% 1.0 0.0 6.0 1742 1003 1 57 GLY HAx 1 59 VAL HGx% 1.0 0.0 6.0 1743 1003 1 59 VAL HGy% 1 57 GLY HAx 1.0 0.0 6.0 1744 1003 1 57 GLY HAy 1 59 VAL HGy% 1.0 0.0 6.0 1745 1004 1 57 GLY H 1 71 TYR HA 1.0 0.0 5.0 1746 1005 1 57 GLY H 1 71 TYR HB2 1.0 0.0 5.0 1747 1005 1 57 GLY H 1 71 TYR HB3 1.0 0.0 5.0 1748 1006 1 57 GLY H 1 71 TYR HD% 1.0 0.0 5.0 1749 1007 1 71 TYR HA 1 57 GLY HAx 1.0 0.0 6.0 1750 1007 1 57 GLY HAy 1 71 TYR HA 1.0 0.0 6.0 1751 1008 1 57 GLY HAx 1 71 TYR HB2 1.0 0.0 4.0 1752 1008 1 57 GLY HAy 1 71 TYR HB2 1.0 0.0 4.0 1753 1008 1 71 TYR HB3 1 57 GLY HAx 1.0 0.0 4.0 1754 1008 1 57 GLY HAy 1 71 TYR HB3 1.0 0.0 4.0 1755 1009 1 71 TYR HD% 1 57 GLY HAx 1.0 0.0 4.0 1756 1009 1 57 GLY HAy 1 71 TYR HD% 1.0 0.0 4.0 1757 1010 1 71 TYR HE% 1 57 GLY HAx 1.0 0.0 5.0 1758 1010 1 57 GLY HAy 1 71 TYR HE% 1.0 0.0 5.0 1759 1011 1 72 CYS H 1 57 GLY H 1.0 0.0 5.0 1760 1012 1 57 GLY H 1 72 CYS HA 1.0 0.0 6.0 1761 1013 1 57 GLY H 1 72 CYS HBx 1.0 0.0 5.0 1762 1013 1 72 CYS HBy 1 57 GLY H 1.0 0.0 5.0 1763 1014 1 72 CYS H 1 57 GLY HAx 1.0 0.0 5.0 1764 1014 1 72 CYS H 1 57 GLY HAy 1.0 0.0 5.0 1765 1015 1 73 THR H 1 57 GLY H 1.0 0.0 6.0 1766 1016 1 57 GLY H 1 73 THR HG2% 1.0 0.0 6.0 1767 1017 1 79 CYS HA 1 57 GLY H 1.0 0.0 6.0 1768 1018 1 58 THR H 1 58 THR HA 1.0 0.0 5.0 1769 1019 1 58 THR HB 1 58 THR H 1.0 0.0 5.0 1770 1020 1 58 THR HG2% 1 58 THR H 1.0 0.0 5.0 1771 1021 1 58 THR H 1 59 VAL H 1.0 0.0 5.0 1772 1022 1 58 THR H 1 59 VAL HGx% 1.0 0.0 6.0 1773 1022 1 58 THR H 1 59 VAL HGy% 1.0 0.0 6.0 1774 1023 1 59 VAL H 1 58 THR HA 1.0 0.0 2.2 1775 1024 1 58 THR HA 1 59 VAL HB 1.0 0.0 5.0 1776 1025 1 58 THR HA 1 59 VAL HGx% 1.0 0.0 5.0 1777 1025 1 59 VAL HGy% 1 58 THR HA 1.0 0.0 5.0 1778 1026 1 58 THR HB 1 59 VAL H 1.0 0.0 5.0 1779 1027 1 58 THR HB 1 59 VAL HGx% 1.0 0.0 6.0 1780 1027 1 58 THR HB 1 59 VAL HGy% 1.0 0.0 6.0 1781 1028 1 58 THR HG2% 1 59 VAL H 1.0 0.0 4.0 1782 1029 1 58 THR HG2% 1 59 VAL HA 1.0 0.0 5.0 1783 1030 1 58 THR HG2% 1 59 VAL HGx% 1.0 0.0 5.0 1784 1030 1 58 THR HG2% 1 59 VAL HGy% 1.0 0.0 5.0 1785 1031 1 58 THR HG2% 1 60 CYS H 1.0 0.0 6.0 1786 1032 1 60 CYS HA 1 58 THR HG2% 1.0 0.0 5.0 1787 1033 1 58 THR HG2% 1 60 CYS HBx 1.0 0.0 6.0 1788 1033 1 60 CYS HBy 1 58 THR HG2% 1.0 0.0 6.0 1789 1034 1 58 THR H 1 71 TYR HA 1.0 0.0 5.0 1790 1035 1 58 THR H 1 71 TYR HB2 1.0 0.0 5.0 1791 1035 1 58 THR H 1 71 TYR HB3 1.0 0.0 5.0 1792 1036 1 58 THR H 1 71 TYR HE% 1.0 0.0 6.0 1793 1037 1 71 TYR HD% 1 58 THR HA 1.0 0.0 5.0 1794 1038 1 71 TYR HE% 1 58 THR HA 1.0 0.0 5.0 1795 1039 1 58 THR HB 1 71 TYR HA 1.0 0.0 6.0 1796 1040 1 58 THR HB 1 71 TYR HB2 1.0 0.0 6.0 1797 1040 1 58 THR HB 1 71 TYR HB3 1.0 0.0 6.0 1798 1041 1 58 THR HB 1 71 TYR HD% 1.0 0.0 6.0 1799 1042 1 58 THR HG2% 1 71 TYR HA 1.0 0.0 6.0 1800 1043 1 58 THR HG2% 1 71 TYR HD% 1.0 0.0 5.0 1801 1044 1 58 THR HG2% 1 71 TYR HE% 1.0 0.0 5.0 1802 1045 1 72 CYS H 1 58 THR H 1.0 0.0 4.0 1803 1046 1 58 THR H 1 72 CYS HA 1.0 0.0 6.0 1804 1047 1 58 THR H 1 72 CYS HBx 1.0 0.0 5.0 1805 1047 1 72 CYS HBy 1 58 THR H 1.0 0.0 5.0 1806 1048 1 72 CYS H 1 58 THR HA 1.0 0.0 5.0 1807 1049 1 58 THR HB 1 72 CYS H 1.0 0.0 4.0 1808 1050 1 58 THR HB 1 72 CYS HA 1.0 0.0 5.0 1809 1051 1 58 THR HB 1 72 CYS HBx 1.0 0.0 4.0 1810 1051 1 58 THR HB 1 72 CYS HBy 1.0 0.0 4.0 1811 1052 1 58 THR HG2% 1 72 CYS H 1.0 0.0 5.0 1812 1053 1 58 THR HG2% 1 72 CYS HBx 1.0 0.0 5.0 1813 1053 1 58 THR HG2% 1 72 CYS HBy 1.0 0.0 5.0 1814 1054 1 73 THR H 1 58 THR H 1.0 0.0 6.0 1815 1055 1 58 THR HB 1 73 THR H 1.0 0.0 6.0 1816 1056 1 59 VAL H 1 59 VAL HA 1.0 0.0 5.0 1817 1057 1 59 VAL H 1 59 VAL HB 1.0 0.0 5.0 1818 1058 1 59 VAL H 1 59 VAL HGx% 1.0 0.0 5.0 1819 1058 1 59 VAL H 1 59 VAL HGy% 1.0 0.0 5.0 1820 1059 1 59 VAL H 1 60 CYS H 1.0 0.0 5.0 1821 1060 1 60 CYS HA 1 59 VAL H 1.0 0.0 6.0 1822 1061 1 59 VAL HA 1 60 CYS H 1.0 0.0 3.0 1823 1062 1 60 CYS HA 1 59 VAL HA 1.0 0.0 5.0 1824 1063 1 59 VAL HA 1 60 CYS HBx 1.0 0.0 5.0 1825 1063 1 60 CYS HBy 1 59 VAL HA 1.0 0.0 5.0 1826 1064 1 59 VAL HB 1 60 CYS H 1.0 0.0 4.5 1827 1065 1 60 CYS H 1 59 VAL HGx% 1.0 0.0 5.0 1828 1065 1 59 VAL HGy% 1 60 CYS H 1.0 0.0 5.0 1829 1066 1 60 CYS HA 1 59 VAL HGx% 1.0 0.0 5.0 1830 1066 1 60 CYS HA 1 59 VAL HGy% 1.0 0.0 5.0 1831 1067 1 59 VAL HGx% 1 60 CYS HBx 1.0 0.0 5.0 1832 1067 1 59 VAL HGy% 1 60 CYS HBx 1.0 0.0 5.0 1833 1067 1 60 CYS HBy 1 59 VAL HGx% 1.0 0.0 5.0 1834 1067 1 60 CYS HBy 1 59 VAL HGy% 1.0 0.0 5.0 1835 1068 1 59 VAL H 1 61 ARG H 1.0 0.0 6.0 1836 1069 1 59 VAL HA 1 61 ARG H 1.0 0.0 4.0 1837 1070 1 59 VAL HB 1 61 ARG H 1.0 0.0 6.0 1838 1071 1 61 ARG H 1 59 VAL HGx% 1.0 0.0 5.0 1839 1071 1 59 VAL HGy% 1 61 ARG H 1.0 0.0 5.0 1840 1072 1 61 ARG HA 1 59 VAL HGx% 1.0 0.0 6.0 1841 1072 1 59 VAL HGy% 1 61 ARG HA 1.0 0.0 6.0 1842 1073 1 59 VAL HB 1 62 ILE HG2% 1.0 0.0 6.0 1843 1074 1 62 ILE H 1 59 VAL HGx% 1.0 0.0 6.0 1844 1074 1 59 VAL HGy% 1 62 ILE H 1.0 0.0 6.0 1845 1075 1 62 ILE HA 1 59 VAL HGx% 1.0 0.0 6.0 1846 1075 1 59 VAL HGy% 1 62 ILE HA 1.0 0.0 6.0 1847 1076 1 59 VAL HGy% 1 62 ILE HG1x 1.0 0.0 5.0 1848 1076 1 59 VAL HGx% 1 62 ILE HG1x 1.0 0.0 5.0 1849 1076 1 62 ILE HG1y 1 59 VAL HGx% 1.0 0.0 5.0 1850 1076 1 59 VAL HGy% 1 62 ILE HG1y 1.0 0.0 5.0 1851 1077 1 62 ILE HD1% 1 59 VAL HGx% 1.0 0.0 6.0 1852 1077 1 59 VAL HGy% 1 62 ILE HD1% 1.0 0.0 6.0 1853 1078 1 63 ALA H 1 59 VAL HGx% 1.0 0.0 6.0 1854 1078 1 59 VAL HGy% 1 63 ALA H 1.0 0.0 6.0 1855 1079 1 59 VAL H 1 69 ASP HBx 1.0 0.0 6.0 1856 1079 1 59 VAL H 1 69 ASP HBy 1.0 0.0 6.0 1857 1080 1 59 VAL HA 1 69 ASP HBx 1.0 0.0 6.0 1858 1080 1 59 VAL HA 1 69 ASP HBy 1.0 0.0 6.0 1859 1081 1 69 ASP H 1 59 VAL HGx% 1.0 0.0 6.0 1860 1081 1 59 VAL HGy% 1 69 ASP H 1.0 0.0 6.0 1861 1082 1 69 ASP HA 1 59 VAL HGx% 1.0 0.0 5.0 1862 1082 1 59 VAL HGy% 1 69 ASP HA 1.0 0.0 5.0 1863 1083 1 59 VAL HGx% 1 69 ASP HBx 1.0 0.0 4.0 1864 1083 1 59 VAL HGy% 1 69 ASP HBx 1.0 0.0 4.0 1865 1083 1 69 ASP HBy 1 59 VAL HGx% 1.0 0.0 4.0 1866 1083 1 59 VAL HGy% 1 69 ASP HBy 1.0 0.0 4.0 1867 1084 1 70 ASP H 1 59 VAL HGx% 1.0 0.0 5.0 1868 1084 1 59 VAL HGy% 1 70 ASP H 1.0 0.0 5.0 1869 1085 1 70 ASP HA 1 59 VAL HGx% 1.0 0.0 6.0 1870 1085 1 59 VAL HGy% 1 70 ASP HA 1.0 0.0 6.0 1871 1086 1 59 VAL HGy% 1 70 ASP HBx 1.0 0.0 6.0 1872 1086 1 70 ASP HBy 1 59 VAL HGx% 1.0 0.0 6.0 1873 1086 1 59 VAL HGy% 1 70 ASP HBy 1.0 0.0 6.0 1874 1086 1 59 VAL HGx% 1 70 ASP HBx 1.0 0.0 6.0 1875 1087 1 59 VAL H 1 71 TYR HA 1.0 0.0 5.0 1876 1088 1 59 VAL H 1 71 TYR HB2 1.0 0.0 6.0 1877 1088 1 71 TYR HB3 1 59 VAL H 1.0 0.0 6.0 1878 1089 1 71 TYR HD% 1 59 VAL H 1.0 0.0 4.0 1879 1090 1 71 TYR HE% 1 59 VAL H 1.0 0.0 5.0 1880 1091 1 71 TYR HA 1 59 VAL HA 1.0 0.0 4.0 1881 1092 1 59 VAL HA 1 71 TYR HB2 1.0 0.0 4.0 1882 1092 1 71 TYR HB3 1 59 VAL HA 1.0 0.0 4.0 1883 1093 1 71 TYR HD% 1 59 VAL HA 1.0 0.0 4.0 1884 1094 1 71 TYR HE% 1 59 VAL HA 1.0 0.0 4.0 1885 1095 1 71 TYR HA 1 59 VAL HB 1.0 0.0 5.0 1886 1096 1 71 TYR HD% 1 59 VAL HB 1.0 0.0 4.0 1887 1097 1 71 TYR HE% 1 59 VAL HB 1.0 0.0 4.0 1888 1098 1 71 TYR HA 1 59 VAL HGx% 1.0 0.0 5.0 1889 1098 1 59 VAL HGy% 1 71 TYR HA 1.0 0.0 5.0 1890 1099 1 59 VAL HGy% 1 71 TYR HB2 1.0 0.0 5.0 1891 1099 1 59 VAL HGx% 1 71 TYR HB2 1.0 0.0 5.0 1892 1099 1 71 TYR HB3 1 59 VAL HGx% 1.0 0.0 5.0 1893 1099 1 71 TYR HB3 1 59 VAL HGy% 1.0 0.0 5.0 1894 1100 1 71 TYR HD% 1 59 VAL HGx% 1.0 0.0 5.0 1895 1100 1 71 TYR HD% 1 59 VAL HGy% 1.0 0.0 5.0 1896 1101 1 71 TYR HE% 1 59 VAL HGx% 1.0 0.0 5.0 1897 1101 1 71 TYR HE% 1 59 VAL HGy% 1.0 0.0 5.0 1898 1102 1 72 CYS H 1 59 VAL H 1.0 0.0 6.0 1899 1103 1 72 CYS H 1 59 VAL HA 1.0 0.0 4.0 1900 1104 1 59 VAL HA 1 72 CYS HBx 1.0 0.0 5.0 1901 1104 1 72 CYS HBy 1 59 VAL HA 1.0 0.0 5.0 1902 1105 1 72 CYS H 1 59 VAL HB 1.0 0.0 6.0 1903 1106 1 72 CYS H 1 59 VAL HGx% 1.0 0.0 5.0 1904 1106 1 72 CYS H 1 59 VAL HGy% 1.0 0.0 5.0 1905 1107 1 60 CYS HA 1 60 CYS H 1.0 0.0 5.0 1906 1108 1 60 CYS H 1 60 CYS HBx 1.0 0.0 5.0 1907 1108 1 60 CYS HBy 1 60 CYS H 1.0 0.0 5.0 1908 1109 1 60 CYS H 1 61 ARG H 1.0 0.0 4.0 1909 1110 1 60 CYS H 1 61 ARG HA 1.0 0.0 5.0 1910 1111 1 60 CYS H 1 61 ARG HBx 1.0 0.0 6.0 1911 1111 1 60 CYS H 1 61 ARG HBy 1.0 0.0 6.0 1912 1112 1 60 CYS HA 1 61 ARG H 1.0 0.0 4.0 1913 1113 1 60 CYS HA 1 61 ARG HA 1.0 0.0 6.0 1914 1114 1 60 CYS HA 1 61 ARG HBx 1.0 0.0 6.0 1915 1114 1 60 CYS HA 1 61 ARG HBy 1.0 0.0 6.0 1916 1115 1 61 ARG H 1 60 CYS HBx 1.0 0.0 5.0 1917 1115 1 60 CYS HBy 1 61 ARG H 1.0 0.0 5.0 1918 1116 1 60 CYS H 1 70 ASP H 1.0 0.0 5.5 1919 1117 1 60 CYS H 1 70 ASP HBx 1.0 0.0 6.0 1920 1117 1 60 CYS H 1 70 ASP HBy 1.0 0.0 6.0 1921 1118 1 60 CYS H 1 71 TYR H 1.0 0.0 6.0 1922 1119 1 71 TYR HA 1 60 CYS H 1.0 0.0 4.0 1923 1120 1 60 CYS H 1 71 TYR HB2 1.0 0.0 5.0 1924 1120 1 71 TYR HB3 1 60 CYS H 1.0 0.0 5.0 1925 1121 1 71 TYR HD% 1 60 CYS H 1.0 0.0 5.0 1926 1122 1 71 TYR HE% 1 60 CYS H 1.0 0.0 6.0 1927 1123 1 71 TYR HA 1 60 CYS HBx 1.0 0.0 6.0 1928 1123 1 60 CYS HBy 1 71 TYR HA 1.0 0.0 6.0 1929 1124 1 72 CYS H 1 60 CYS H 1.0 0.0 4.0 1930 1125 1 60 CYS HA 1 72 CYS H 1.0 0.0 6.0 1931 1126 1 72 CYS H 1 60 CYS HBx 1.0 0.0 5.0 1932 1126 1 60 CYS HBy 1 72 CYS H 1.0 0.0 5.0 1933 1127 1 60 CYS HA 1 79 CYS HBx 1.0 0.0 6.0 1934 1127 1 60 CYS HA 1 79 CYS HBy 1.0 0.0 6.0 1935 1128 1 79 CYS H 1 60 CYS HBx 1.0 0.0 6.0 1936 1128 1 60 CYS HBy 1 79 CYS H 1.0 0.0 6.0 1937 1129 1 79 CYS HA 1 60 CYS HBx 1.0 0.0 5.0 1938 1129 1 60 CYS HBy 1 79 CYS HA 1.0 0.0 5.0 1939 1130 1 60 CYS HBy 1 79 CYS HBx 1.0 0.0 5.0 1940 1130 1 60 CYS HBx 1 79 CYS HBx 1.0 0.0 5.0 1941 1130 1 79 CYS HBy 1 60 CYS HBx 1.0 0.0 5.0 1942 1130 1 60 CYS HBy 1 79 CYS HBy 1.0 0.0 5.0 1943 1131 1 61 ARG H 1 61 ARG HA 1.0 0.0 5.0 1944 1132 1 61 ARG H 1 61 ARG HBx 1.0 0.0 5.0 1945 1132 1 61 ARG H 1 61 ARG HBy 1.0 0.0 5.0 1946 1133 1 61 ARG H 1 61 ARG HGx 1.0 0.0 5.0 1947 1133 1 61 ARG H 1 61 ARG HGy 1.0 0.0 5.0 1948 1134 1 61 ARG H 1 62 ILE H 1.0 0.0 5.0 1949 1135 1 61 ARG HA 1 62 ILE H 1.0 0.0 3.5 1950 1136 1 61 ARG HA 1 62 ILE HG1x 1.0 0.0 6.0 1951 1136 1 61 ARG HA 1 62 ILE HG1y 1.0 0.0 6.0 1952 1137 1 61 ARG HA 1 62 ILE HG2% 1.0 0.0 6.0 1953 1138 1 61 ARG HA 1 62 ILE HD1% 1.0 0.0 6.0 1954 1139 1 62 ILE H 1 61 ARG HBx 1.0 0.0 5.0 1955 1139 1 62 ILE H 1 61 ARG HBy 1.0 0.0 5.0 1956 1140 1 62 ILE H 1 61 ARG HGx 1.0 0.0 4.0 1957 1140 1 62 ILE H 1 61 ARG HGy 1.0 0.0 4.0 1958 1141 1 62 ILE H 1 61 ARG HE 1.0 0.0 6.0 1959 1142 1 62 ILE H 1 61 ARG HH1% 1.0 0.0 6.0 1960 1142 1 62 ILE H 1 61 ARG HH2% 1.0 0.0 6.0 1961 1143 1 63 ALA HB% 1 61 ARG HBx 1.0 0.0 6.0 1962 1143 1 61 ARG HBy 1 63 ALA HB% 1.0 0.0 6.0 1963 1144 1 61 ARG HE 1 63 ALA HB% 1.0 0.0 6.0 1964 1145 1 63 ALA HB% 1 61 ARG HH1% 1.0 0.0 6.0 1965 1145 1 61 ARG HH2% 1 63 ALA HB% 1.0 0.0 6.0 1966 1146 1 61 ARG H 1 69 ASP HA 1.0 0.0 6.0 1967 1147 1 69 ASP HA 1 61 ARG HBx 1.0 0.0 6.0 1968 1147 1 69 ASP HA 1 61 ARG HBy 1.0 0.0 6.0 1969 1148 1 61 ARG H 1 70 ASP H 1.0 0.0 5.0 1970 1149 1 61 ARG H 1 70 ASP HBx 1.0 0.0 6.0 1971 1149 1 61 ARG H 1 70 ASP HBy 1.0 0.0 6.0 1972 1150 1 70 ASP HA 1 61 ARG HBx 1.0 0.0 6.0 1973 1150 1 70 ASP HA 1 61 ARG HBy 1.0 0.0 6.0 1974 1151 1 61 ARG HBx 1 70 ASP HBx 1.0 0.0 4.5 1975 1151 1 61 ARG HBy 1 70 ASP HBx 1.0 0.0 4.5 1976 1151 1 70 ASP HBy 1 61 ARG HBx 1.0 0.0 4.5 1977 1151 1 70 ASP HBy 1 61 ARG HBy 1.0 0.0 4.5 1978 1152 1 70 ASP HA 1 61 ARG HGx 1.0 0.0 6.0 1979 1152 1 70 ASP HA 1 61 ARG HGy 1.0 0.0 6.0 1980 1153 1 61 ARG HGx 1 70 ASP HBx 1.0 0.0 6.0 1981 1153 1 70 ASP HBy 1 61 ARG HGx 1.0 0.0 6.0 1982 1153 1 70 ASP HBy 1 61 ARG HGy 1.0 0.0 6.0 1983 1153 1 61 ARG HGy 1 70 ASP HBx 1.0 0.0 6.0 1984 1154 1 61 ARG HE 1 70 ASP HBx 1.0 0.0 6.0 1985 1154 1 70 ASP HBy 1 61 ARG HE 1.0 0.0 6.0 1986 1155 1 70 ASP H 1 61 ARG HH1% 1.0 0.0 6.0 1987 1155 1 70 ASP H 1 61 ARG HH2% 1.0 0.0 6.0 1988 1156 1 61 ARG HH1% 1 70 ASP HBx 1.0 0.0 5.0 1989 1156 1 61 ARG HH2% 1 70 ASP HBx 1.0 0.0 5.0 1990 1156 1 70 ASP HBy 1 61 ARG HH1% 1.0 0.0 5.0 1991 1156 1 70 ASP HBy 1 61 ARG HH2% 1.0 0.0 5.0 1992 1157 1 71 TYR HA 1 61 ARG H 1.0 0.0 5.0 1993 1158 1 72 CYS H 1 61 ARG H 1.0 0.0 6.0 1994 1159 1 61 ARG HE 1 79 CYS HBx 1.0 0.0 6.0 1995 1159 1 79 CYS HBy 1 61 ARG HE 1.0 0.0 6.0 1996 1160 1 79 CYS H 1 61 ARG HH1% 1.0 0.0 6.0 1997 1160 1 79 CYS H 1 61 ARG HH2% 1.0 0.0 6.0 1998 1161 1 79 CYS HA 1 61 ARG HH1% 1.0 0.0 6.0 1999 1161 1 79 CYS HA 1 61 ARG HH2% 1.0 0.0 6.0 2000 1162 1 61 ARG HH2% 1 79 CYS HBx 1.0 0.0 5.0 2001 1162 1 79 CYS HBy 1 61 ARG HH1% 1.0 0.0 5.0 2002 1162 1 79 CYS HBy 1 61 ARG HH2% 1.0 0.0 5.0 2003 1162 1 61 ARG HH1% 1 79 CYS HBx 1.0 0.0 5.0 2004 1163 1 80 PRO HA 1 61 ARG HH1% 1.0 0.0 6.0 2005 1163 1 61 ARG HH2% 1 80 PRO HA 1.0 0.0 6.0 2006 1164 1 61 ARG HH2% 1 80 PRO HBx 1.0 0.0 6.0 2007 1164 1 61 ARG HH1% 1 80 PRO HBx 1.0 0.0 6.0 2008 1164 1 80 PRO HBy 1 61 ARG HH1% 1.0 0.0 6.0 2009 1164 1 61 ARG HH2% 1 80 PRO HBy 1.0 0.0 6.0 2010 1165 1 81 TRP HE3 1 61 ARG HBx 1.0 0.0 6.0 2011 1165 1 61 ARG HBy 1 81 TRP HE3 1.0 0.0 6.0 2012 1166 1 81 TRP HH2 1 61 ARG HBx 1.0 0.0 6.0 2013 1166 1 61 ARG HBy 1 81 TRP HH2 1.0 0.0 6.0 2014 1167 1 81 TRP HZ3 1 61 ARG HBx 1.0 0.0 6.0 2015 1167 1 61 ARG HBy 1 81 TRP HZ3 1.0 0.0 6.0 2016 1168 1 81 TRP HH2 1 61 ARG HGx 1.0 0.0 6.0 2017 1168 1 61 ARG HGy 1 81 TRP HH2 1.0 0.0 6.0 2018 1169 1 81 TRP HZ3 1 61 ARG HGx 1.0 0.0 6.0 2019 1169 1 61 ARG HGy 1 81 TRP HZ3 1.0 0.0 6.0 2020 1170 1 81 TRP H 1 61 ARG HDx 1.0 0.0 6.0 2021 1170 1 61 ARG HDy 1 81 TRP H 1.0 0.0 6.0 2022 1171 1 81 TRP HE3 1 61 ARG HDx 1.0 0.0 5.0 2023 1171 1 81 TRP HE3 1 61 ARG HDy 1.0 0.0 5.0 2024 1172 1 81 TRP HZ2 1 61 ARG HDx 1.0 0.0 6.0 2025 1172 1 61 ARG HDy 1 81 TRP HZ2 1.0 0.0 6.0 2026 1173 1 81 TRP HZ3 1 61 ARG HDx 1.0 0.0 5.0 2027 1173 1 81 TRP HZ3 1 61 ARG HDy 1.0 0.0 5.0 2028 1174 1 61 ARG HE 1 81 TRP H 1.0 0.0 6.0 2029 1175 1 61 ARG HE 1 81 TRP HA 1.0 0.0 5.0 2030 1176 1 61 ARG HE 1 81 TRP HD1 1.0 0.0 6.0 2031 1177 1 61 ARG HE 1 81 TRP HE1 1.0 0.0 6.0 2032 1178 1 61 ARG HE 1 81 TRP HH2 1.0 0.0 6.0 2033 1179 1 61 ARG HE 1 81 TRP HZ2 1.0 0.0 5.0 2034 1180 1 61 ARG HE 1 81 TRP HZ3 1.0 0.0 5.0 2035 1181 1 81 TRP H 1 61 ARG HH1% 1.0 0.0 5.0 2036 1181 1 61 ARG HH2% 1 81 TRP H 1.0 0.0 5.0 2037 1182 1 81 TRP HA 1 61 ARG HH1% 1.0 0.0 4.0 2038 1182 1 61 ARG HH2% 1 81 TRP HA 1.0 0.0 4.0 2039 1183 1 61 ARG HH1% 1 81 TRP HBx 1.0 0.0 6.0 2040 1183 1 61 ARG HH2% 1 81 TRP HBx 1.0 0.0 6.0 2041 1183 1 81 TRP HBy 1 61 ARG HH1% 1.0 0.0 6.0 2042 1183 1 61 ARG HH2% 1 81 TRP HBy 1.0 0.0 6.0 2043 1184 1 81 TRP HD1 1 61 ARG HH1% 1.0 0.0 5.0 2044 1184 1 61 ARG HH2% 1 81 TRP HD1 1.0 0.0 5.0 2045 1185 1 81 TRP HE1 1 61 ARG HH1% 1.0 0.0 5.0 2046 1185 1 61 ARG HH2% 1 81 TRP HE1 1.0 0.0 5.0 2047 1186 1 81 TRP HE3 1 61 ARG HH1% 1.0 0.0 5.0 2048 1186 1 61 ARG HH2% 1 81 TRP HE3 1.0 0.0 5.0 2049 1187 1 81 TRP HH2 1 61 ARG HH1% 1.0 0.0 6.0 2050 1187 1 61 ARG HH2% 1 81 TRP HH2 1.0 0.0 6.0 2051 1188 1 81 TRP HZ2 1 61 ARG HH1% 1.0 0.0 5.0 2052 1188 1 61 ARG HH2% 1 81 TRP HZ2 1.0 0.0 5.0 2053 1189 1 81 TRP HZ3 1 61 ARG HH1% 1.0 0.0 6.0 2054 1189 1 61 ARG HH2% 1 81 TRP HZ3 1.0 0.0 6.0 2055 1190 1 61 ARG HE 1 82 ASN H 1.0 0.0 6.0 2056 1191 1 82 ASN H 1 61 ARG HH1% 1.0 0.0 6.0 2057 1191 1 61 ARG HH2% 1 82 ASN H 1.0 0.0 6.0 2058 1192 1 62 ILE H 1 62 ILE HA 1.0 0.0 5.0 2059 1193 1 62 ILE H 1 62 ILE HB 1.0 0.0 5.0 2060 1194 1 62 ILE H 1 62 ILE HG1x 1.0 0.0 5.0 2061 1194 1 62 ILE H 1 62 ILE HG1y 1.0 0.0 5.0 2062 1195 1 62 ILE HG2% 1 62 ILE H 1.0 0.0 5.0 2063 1196 1 62 ILE H 1 62 ILE HD1% 1.0 0.0 5.0 2064 1197 1 62 ILE H 1 63 ALA H 1.0 0.0 4.0 2065 1198 1 62 ILE H 1 63 ALA HB% 1.0 0.0 6.0 2066 1199 1 62 ILE HA 1 63 ALA H 1.0 0.0 3.5 2067 1200 1 62 ILE HA 1 63 ALA HB% 1.0 0.0 4.0 2068 1201 1 63 ALA H 1 62 ILE HB 1.0 0.0 4.0 2069 1202 1 63 ALA H 1 62 ILE HG1x 1.0 0.0 5.0 2070 1202 1 62 ILE HG1y 1 63 ALA H 1.0 0.0 5.0 2071 1203 1 62 ILE HG2% 1 63 ALA H 1.0 0.0 4.0 2072 1204 1 62 ILE HG2% 1 63 ALA HA 1.0 0.0 5.0 2073 1205 1 62 ILE HG2% 1 63 ALA HB% 1.0 0.0 6.0 2074 1206 1 62 ILE HD1% 1 63 ALA H 1.0 0.0 5.0 2075 1207 1 62 ILE HD1% 1 63 ALA HA 1.0 0.0 6.0 2076 1208 1 62 ILE HD1% 1 63 ALA HB% 1.0 0.0 6.0 2077 1209 1 64 ARG H 1 62 ILE HG1x 1.0 0.0 6.0 2078 1209 1 62 ILE HG1y 1 64 ARG H 1.0 0.0 6.0 2079 1210 1 62 ILE HG2% 1 64 ARG H 1.0 0.0 5.0 2080 1211 1 62 ILE HG2% 1 64 ARG HA 1.0 0.0 6.0 2081 1212 1 62 ILE HG2% 1 64 ARG HBx 1.0 0.0 6.0 2082 1212 1 62 ILE HG2% 1 64 ARG HBy 1.0 0.0 6.0 2083 1213 1 62 ILE HG2% 1 64 ARG HD2 1.0 0.0 6.0 2084 1213 1 62 ILE HG2% 1 64 ARG HD3 1.0 0.0 6.0 2085 1214 1 62 ILE HD1% 1 64 ARG H 1.0 0.0 6.0 2086 1215 1 62 ILE HD1% 1 64 ARG HA 1.0 0.0 6.0 2087 1216 1 62 ILE HD1% 1 64 ARG HBx 1.0 0.0 6.0 2088 1216 1 62 ILE HD1% 1 64 ARG HBy 1.0 0.0 6.0 2089 1217 1 62 ILE HD1% 1 64 ARG HD2 1.0 0.0 6.0 2090 1217 1 62 ILE HD1% 1 64 ARG HD3 1.0 0.0 6.0 2091 1218 1 65 GLY H 1 62 ILE HG1x 1.0 0.0 6.0 2092 1218 1 62 ILE HG1y 1 65 GLY H 1.0 0.0 6.0 2093 1219 1 62 ILE HG2% 1 65 GLY H 1.0 0.0 6.0 2094 1220 1 62 ILE HD1% 1 65 GLY H 1.0 0.0 6.0 2095 1221 1 62 ILE HG2% 1 66 ASP H 1.0 0.0 6.0 2096 1222 1 62 ILE HG2% 1 66 ASP HA 1.0 0.0 6.0 2097 1223 1 62 ILE HG2% 1 66 ASP HBx 1.0 0.0 6.0 2098 1223 1 62 ILE HG2% 1 66 ASP HBy 1.0 0.0 6.0 2099 1224 1 62 ILE HA 1 67 TRP HD1 1.0 0.0 6.0 2100 1225 1 62 ILE HG2% 1 67 TRP H 1.0 0.0 6.0 2101 1226 1 62 ILE HG2% 1 67 TRP HD1 1.0 0.0 6.0 2102 1227 1 62 ILE HA 1 69 ASP HA 1.0 0.0 5.0 2103 1228 1 62 ILE HA 1 69 ASP HBx 1.0 0.0 5.0 2104 1228 1 62 ILE HA 1 69 ASP HBy 1.0 0.0 5.0 2105 1229 1 62 ILE HD1% 1 69 ASP HA 1.0 0.0 6.0 2106 1230 1 62 ILE HG2% 1 81 TRP HBx 1.0 0.0 6.0 2107 1230 1 62 ILE HG2% 1 81 TRP HBy 1.0 0.0 6.0 2108 1231 1 62 ILE HG2% 1 81 TRP HE3 1.0 0.0 6.0 2109 1232 1 62 ILE HD1% 1 81 TRP HA 1.0 0.0 6.0 2110 1233 1 62 ILE HD1% 1 81 TRP HBx 1.0 0.0 6.0 2111 1233 1 62 ILE HD1% 1 81 TRP HBy 1.0 0.0 6.0 2112 1234 1 62 ILE HD1% 1 81 TRP HE3 1.0 0.0 6.0 2113 1235 1 63 ALA H 1 63 ALA HA 1.0 0.0 5.0 2114 1236 1 63 ALA H 1 63 ALA HB% 1.0 0.0 5.0 2115 1237 1 63 ALA H 1 64 ARG H 1.0 0.0 4.0 2116 1238 1 63 ALA HA 1 64 ARG H 1.0 0.0 3.5 2117 1239 1 63 ALA HB% 1 64 ARG H 1.0 0.0 4.0 2118 1240 1 63 ALA HB% 1 64 ARG HD2 1.0 0.0 5.0 2119 1240 1 63 ALA HB% 1 64 ARG HD3 1.0 0.0 5.0 2120 1241 1 63 ALA HB% 1 65 GLY H 1.0 0.0 5.0 2121 1242 1 63 ALA HB% 1 65 GLY HAx 1.0 0.0 6.0 2122 1242 1 63 ALA HB% 1 65 GLY HAy 1.0 0.0 6.0 2123 1243 1 63 ALA HB% 1 66 ASP H 1.0 0.0 6.0 2124 1244 1 63 ALA HB% 1 66 ASP HA 1.0 0.0 6.0 2125 1245 1 63 ALA HB% 1 66 ASP HBx 1.0 0.0 6.0 2126 1245 1 63 ALA HB% 1 66 ASP HBy 1.0 0.0 6.0 2127 1246 1 63 ALA HA 1 67 TRP HD1 1.0 0.0 6.0 2128 1247 1 63 ALA HA 1 67 TRP HE1 1.0 0.0 5.0 2129 1248 1 63 ALA HB% 1 67 TRP H 1.0 0.0 5.0 2130 1249 1 63 ALA HB% 1 67 TRP HBx 1.0 0.0 5.0 2131 1249 1 63 ALA HB% 1 67 TRP HBy 1.0 0.0 5.0 2132 1250 1 63 ALA HB% 1 67 TRP HD1 1.0 0.0 5.0 2133 1251 1 63 ALA HB% 1 67 TRP HE1 1.0 0.0 5.5 2134 1252 1 63 ALA HB% 1 67 TRP HE3 1.0 0.0 6.0 2135 1253 1 63 ALA HB% 1 67 TRP HZ2 1.0 0.0 6.0 2136 1254 1 63 ALA H 1 68 ASN H 1.0 0.0 6.0 2137 1255 1 63 ALA H 1 68 ASN HBx 1.0 0.0 6.0 2138 1255 1 63 ALA H 1 68 ASN HBy 1.0 0.0 6.0 2139 1256 1 63 ALA H 1 68 ASN HD2y 1.0 0.0 6.0 2140 1256 1 63 ALA H 1 68 ASN HD2x 1.0 0.0 6.0 2141 1257 1 63 ALA HB% 1 68 ASN H 1.0 0.0 5.0 2142 1258 1 63 ALA HB% 1 68 ASN HBx 1.0 0.0 5.0 2143 1258 1 63 ALA HB% 1 68 ASN HBy 1.0 0.0 5.0 2144 1259 1 63 ALA HB% 1 68 ASN HD2y 1.0 0.0 5.0 2145 1259 1 63 ALA HB% 1 68 ASN HD2x 1.0 0.0 5.0 2146 1260 1 63 ALA H 1 69 ASP HA 1.0 0.0 4.0 2147 1261 1 63 ALA H 1 69 ASP HBx 1.0 0.0 6.0 2148 1261 1 63 ALA H 1 69 ASP HBy 1.0 0.0 6.0 2149 1262 1 69 ASP H 1 63 ALA HB% 1.0 0.0 5.0 2150 1263 1 69 ASP HA 1 63 ALA HB% 1.0 0.0 5.0 2151 1264 1 63 ALA HB% 1 69 ASP HBx 1.0 0.0 6.0 2152 1264 1 69 ASP HBy 1 63 ALA HB% 1.0 0.0 6.0 2153 1265 1 63 ALA HB% 1 81 TRP HE3 1.0 0.0 6.0 2154 1266 1 63 ALA HB% 1 81 TRP HZ3 1.0 0.0 6.0 2155 1267 1 63 ALA HB% 1 83 HIS HD2 1.0 0.0 6.0 2156 1268 1 64 ARG H 1 64 ARG HA 1.0 0.0 5.0 2157 1269 1 64 ARG H 1 64 ARG HBx 1.0 0.0 5.0 2158 1269 1 64 ARG H 1 64 ARG HBy 1.0 0.0 5.0 2159 1270 1 64 ARG H 1 64 ARG HGx 1.0 0.0 5.0 2160 1270 1 64 ARG H 1 64 ARG HGy 1.0 0.0 5.0 2161 1271 1 64 ARG H 1 64 ARG HD2 1.0 0.0 5.0 2162 1271 1 64 ARG H 1 64 ARG HD3 1.0 0.0 5.0 2163 1272 1 64 ARG H 1 65 GLY H 1.0 0.0 4.0 2164 1273 1 64 ARG H 1 65 GLY HAx 1.0 0.0 6.0 2165 1273 1 64 ARG H 1 65 GLY HAy 1.0 0.0 6.0 2166 1274 1 64 ARG HA 1 65 GLY H 1.0 0.0 3.5 2167 1275 1 64 ARG HA 1 65 GLY HAx 1.0 0.0 5.0 2168 1275 1 64 ARG HA 1 65 GLY HAy 1.0 0.0 5.0 2169 1276 1 65 GLY H 1 64 ARG HBx 1.0 0.0 4.0 2170 1276 1 64 ARG HBy 1 65 GLY H 1.0 0.0 4.0 2171 1277 1 65 GLY H 1 64 ARG HGx 1.0 0.0 5.0 2172 1277 1 65 GLY H 1 64 ARG HGy 1.0 0.0 5.0 2173 1278 1 65 GLY H 1 64 ARG HD2 1.0 0.0 5.0 2174 1278 1 64 ARG HD3 1 65 GLY H 1.0 0.0 5.0 2175 1279 1 64 ARG HA 1 66 ASP H 1.0 0.0 6.0 2176 1280 1 64 ARG H 1 67 TRP HBx 1.0 0.0 6.0 2177 1280 1 64 ARG H 1 67 TRP HBy 1.0 0.0 6.0 2178 1281 1 64 ARG H 1 67 TRP HD1 1.0 0.0 6.0 2179 1282 1 64 ARG H 1 67 TRP HE1 1.0 0.0 5.0 2180 1283 1 64 ARG H 1 67 TRP HZ2 1.0 0.0 6.0 2181 1284 1 64 ARG HA 1 67 TRP HZ2 1.0 0.0 6.0 2182 1285 1 67 TRP HD1 1 64 ARG HBx 1.0 0.0 6.0 2183 1285 1 64 ARG HBy 1 67 TRP HD1 1.0 0.0 6.0 2184 1286 1 67 TRP HE1 1 64 ARG HBx 1.0 0.0 6.0 2185 1286 1 64 ARG HBy 1 67 TRP HE1 1.0 0.0 6.0 2186 1287 1 67 TRP HZ2 1 64 ARG HBx 1.0 0.0 6.0 2187 1287 1 64 ARG HBy 1 67 TRP HZ2 1.0 0.0 6.0 2188 1288 1 67 TRP HE1 1 64 ARG HGx 1.0 0.0 6.0 2189 1288 1 67 TRP HE1 1 64 ARG HGy 1.0 0.0 6.0 2190 1289 1 67 TRP HZ2 1 64 ARG HGx 1.0 0.0 6.0 2191 1289 1 67 TRP HZ2 1 64 ARG HGy 1.0 0.0 6.0 2192 1290 1 67 TRP HZ2 1 64 ARG HD2 1.0 0.0 6.0 2193 1290 1 64 ARG HD3 1 67 TRP HZ2 1.0 0.0 6.0 2194 1291 1 64 ARG H 1 68 ASN HD2y 1.0 0.0 6.0 2195 1291 1 64 ARG H 1 68 ASN HD2x 1.0 0.0 6.0 2196 1292 1 65 GLY H 1 65 GLY HAx 1.0 0.0 5.0 2197 1292 1 65 GLY H 1 65 GLY HAy 1.0 0.0 5.0 2198 1293 1 65 GLY H 1 66 ASP H 1.0 0.0 4.0 2199 1294 1 66 ASP HA 1 65 GLY HAx 1.0 0.0 6.0 2200 1294 1 66 ASP HA 1 65 GLY HAy 1.0 0.0 6.0 2201 1295 1 65 GLY HAy 1 66 ASP HBx 1.0 0.0 6.0 2202 1295 1 65 GLY HAx 1 66 ASP HBx 1.0 0.0 6.0 2203 1295 1 66 ASP HBy 1 65 GLY HAx 1.0 0.0 6.0 2204 1295 1 66 ASP HBy 1 65 GLY HAy 1.0 0.0 6.0 2205 1296 1 66 ASP H 1 65 GLY HAx 1.0 0.0 3.0 2206 1296 1 66 ASP H 1 65 GLY HAy 1.0 0.0 3.0 2207 1297 1 65 GLY H 1 67 TRP HE1 1.0 0.0 6.0 2208 1298 1 67 TRP H 1 65 GLY HAx 1.0 0.0 5.0 2209 1298 1 67 TRP H 1 65 GLY HAy 1.0 0.0 5.0 2210 1299 1 67 TRP HD1 1 65 GLY HAx 1.0 0.0 6.0 2211 1299 1 67 TRP HD1 1 65 GLY HAy 1.0 0.0 6.0 2212 1300 1 67 TRP HE1 1 65 GLY HAx 1.0 0.0 6.0 2213 1300 1 65 GLY HAy 1 67 TRP HE1 1.0 0.0 6.0 2214 1301 1 67 TRP HE3 1 65 GLY HAx 1.0 0.0 6.0 2215 1301 1 65 GLY HAy 1 67 TRP HE3 1.0 0.0 6.0 2216 1302 1 67 TRP HZ2 1 65 GLY HAx 1.0 0.0 6.0 2217 1302 1 65 GLY HAy 1 67 TRP HZ2 1.0 0.0 6.0 2218 1303 1 67 TRP HZ3 1 65 GLY HAx 1.0 0.0 6.0 2219 1303 1 65 GLY HAy 1 67 TRP HZ3 1.0 0.0 6.0 2220 1304 1 67 TRP HH2 1 65 GLY HAx 1.0 0.0 6.0 2221 1304 1 65 GLY HAy 1 67 TRP HH2 1.0 0.0 6.0 2222 1305 1 65 GLY HAy 1 68 ASN HD2y 1.0 0.0 6.0 2223 1305 1 65 GLY HAx 1 68 ASN HD2y 1.0 0.0 6.0 2224 1305 1 68 ASN HD2x 1 65 GLY HAx 1.0 0.0 6.0 2225 1305 1 65 GLY HAy 1 68 ASN HD2x 1.0 0.0 6.0 2226 1306 1 66 ASP H 1 66 ASP HA 1.0 0.0 5.0 2227 1307 1 66 ASP H 1 66 ASP HBx 1.0 0.0 5.0 2228 1307 1 66 ASP H 1 66 ASP HBy 1.0 0.0 5.0 2229 1308 1 66 ASP H 1 67 TRP H 1.0 0.0 4.0 2230 1309 1 66 ASP H 1 67 TRP HBx 1.0 0.0 6.0 2231 1309 1 66 ASP H 1 67 TRP HBy 1.0 0.0 6.0 2232 1310 1 66 ASP H 1 67 TRP HD1 1.0 0.0 5.5 2233 1311 1 66 ASP H 1 67 TRP HE1 1.0 0.0 6.0 2234 1312 1 66 ASP H 1 67 TRP HE3 1.0 0.0 5.0 2235 1313 1 66 ASP HA 1 67 TRP H 1.0 0.0 3.5 2236 1314 1 66 ASP HA 1 67 TRP HD1 1.0 0.0 5.5 2237 1315 1 67 TRP H 1 66 ASP HBx 1.0 0.0 5.0 2238 1315 1 66 ASP HBy 1 67 TRP H 1.0 0.0 5.0 2239 1316 1 67 TRP HD1 1 66 ASP HBx 1.0 0.0 6.0 2240 1316 1 66 ASP HBy 1 67 TRP HD1 1.0 0.0 6.0 2241 1317 1 67 TRP HE3 1 66 ASP HBx 1.0 0.0 6.0 2242 1317 1 66 ASP HBy 1 67 TRP HE3 1.0 0.0 6.0 2243 1318 1 66 ASP HA 1 68 ASN H 1.0 0.0 6.0 2244 1319 1 68 ASN H 1 66 ASP HBx 1.0 0.0 6.0 2245 1319 1 66 ASP HBy 1 68 ASN H 1.0 0.0 6.0 2246 1320 1 67 TRP H 1 67 TRP HA 1.0 0.0 5.0 2247 1321 1 67 TRP H 1 67 TRP HBx 1.0 0.0 5.0 2248 1321 1 67 TRP H 1 67 TRP HBy 1.0 0.0 5.0 2249 1322 1 67 TRP HD1 1 67 TRP H 1.0 0.0 5.0 2250 1323 1 67 TRP H 1 67 TRP HE3 1.0 0.0 6.0 2251 1324 1 67 TRP H 1 67 TRP HE1 1.0 0.0 6.0 2252 1325 1 67 TRP H 1 68 ASN H 1.0 0.0 4.0 2253 1326 1 67 TRP H 1 68 ASN HBx 1.0 0.0 6.0 2254 1326 1 67 TRP H 1 68 ASN HBy 1.0 0.0 6.0 2255 1327 1 68 ASN H 1 67 TRP HA 1.0 0.0 3.5 2256 1328 1 68 ASN H 1 67 TRP HBx 1.0 0.0 4.0 2257 1328 1 67 TRP HBy 1 68 ASN H 1.0 0.0 4.0 2258 1329 1 67 TRP HD1 1 68 ASN H 1.0 0.0 5.0 2259 1330 1 67 TRP HD1 1 68 ASN HBx 1.0 0.0 5.5 2260 1330 1 67 TRP HD1 1 68 ASN HBy 1.0 0.0 5.5 2261 1331 1 67 TRP HE1 1 68 ASN HD2y 1.0 0.0 5.5 2262 1331 1 67 TRP HE1 1 68 ASN HD2x 1.0 0.0 5.5 2263 1332 1 67 TRP HE3 1 68 ASN H 1.0 0.0 5.5 2264 1333 1 67 TRP HD1 1 70 ASP HBx 1.0 0.0 6.0 2265 1333 1 70 ASP HBy 1 67 TRP HD1 1.0 0.0 6.0 2266 1334 1 67 TRP HE1 1 70 ASP HBx 1.0 0.0 6.0 2267 1334 1 70 ASP HBy 1 67 TRP HE1 1.0 0.0 6.0 2268 1335 1 83 HIS HD2 1 67 TRP HBx 1.0 0.0 6.0 2269 1335 1 67 TRP HBy 1 83 HIS HD2 1.0 0.0 6.0 2270 1336 1 67 TRP HD1 1 83 HIS HA 1.0 0.0 6.0 2271 1337 1 67 TRP HD1 1 83 HIS HBx 1.0 0.0 6.0 2272 1337 1 67 TRP HD1 1 83 HIS HBy 1.0 0.0 6.0 2273 1338 1 68 ASN H 1 68 ASN HA 1.0 0.0 5.0 2274 1339 1 68 ASN H 1 68 ASN HBx 1.0 0.0 5.0 2275 1339 1 68 ASN H 1 68 ASN HBy 1.0 0.0 5.0 2276 1340 1 68 ASN H 1 68 ASN HD2y 1.0 0.0 5.0 2277 1340 1 68 ASN H 1 68 ASN HD2x 1.0 0.0 5.0 2278 1341 1 69 ASP H 1 68 ASN H 1.0 0.0 4.0 2279 1342 1 69 ASP H 1 68 ASN HA 1.0 0.0 4.0 2280 1343 1 69 ASP H 1 68 ASN HBx 1.0 0.0 5.0 2281 1343 1 69 ASP H 1 68 ASN HBy 1.0 0.0 5.0 2282 1344 1 70 ASP H 1 68 ASN HA 1.0 0.0 6.0 2283 1345 1 71 TYR HD% 1 68 ASN HA 1.0 0.0 6.0 2284 1346 1 71 TYR HE% 1 68 ASN HA 1.0 0.0 6.0 2285 1347 1 71 TYR HE% 1 68 ASN HBx 1.0 0.0 6.0 2286 1347 1 71 TYR HE% 1 68 ASN HBy 1.0 0.0 6.0 2287 1348 1 68 ASN H 1 82 ASN HD2y 1.0 0.0 6.0 2288 1348 1 68 ASN H 1 82 ASN HD2x 1.0 0.0 6.0 2289 1349 1 68 ASN HBy 1 82 ASN HD2y 1.0 0.0 6.0 2290 1349 1 68 ASN HBx 1 82 ASN HD2y 1.0 0.0 6.0 2291 1349 1 82 ASN HD2x 1 68 ASN HBx 1.0 0.0 6.0 2292 1349 1 68 ASN HBy 1 82 ASN HD2x 1.0 0.0 6.0 2293 1350 1 83 HIS HD2 1 68 ASN HA 1.0 0.0 6.0 2294 1351 1 83 HIS HE1 1 68 ASN HBx 1.0 0.0 6.0 2295 1351 1 68 ASN HBy 1 83 HIS HE1 1.0 0.0 6.0 2296 1352 1 83 HIS H 1 68 ASN HD2y 1.0 0.0 6.0 2297 1352 1 68 ASN HD2x 1 83 HIS H 1.0 0.0 6.0 2298 1353 1 69 ASP H 1 69 ASP HA 1.0 0.0 5.0 2299 1354 1 69 ASP H 1 69 ASP HBx 1.0 0.0 5.0 2300 1354 1 69 ASP HBy 1 69 ASP H 1.0 0.0 5.0 2301 1355 1 69 ASP HA 1 70 ASP H 1.0 0.0 4.0 2302 1356 1 69 ASP HA 1 70 ASP HBx 1.0 0.0 5.0 2303 1356 1 69 ASP HA 1 70 ASP HBy 1.0 0.0 5.0 2304 1357 1 70 ASP H 1 69 ASP HBx 1.0 0.0 4.0 2305 1357 1 69 ASP HBy 1 70 ASP H 1.0 0.0 4.0 2306 1358 1 71 TYR HE% 1 69 ASP H 1.0 0.0 6.0 2307 1359 1 71 TYR HD% 1 69 ASP HA 1.0 0.0 5.0 2308 1360 1 71 TYR HE% 1 69 ASP HA 1.0 0.0 5.0 2309 1361 1 71 TYR HD% 1 69 ASP HBx 1.0 0.0 6.0 2310 1361 1 71 TYR HD% 1 69 ASP HBy 1.0 0.0 6.0 2311 1362 1 71 TYR HE% 1 69 ASP HBx 1.0 0.0 5.0 2312 1362 1 71 TYR HE% 1 69 ASP HBy 1.0 0.0 5.0 2313 1363 1 69 ASP H 1 81 TRP HBx 1.0 0.0 6.0 2314 1363 1 69 ASP H 1 81 TRP HBy 1.0 0.0 6.0 2315 1364 1 82 ASN H 1 69 ASP HBx 1.0 0.0 6.0 2316 1364 1 69 ASP HBy 1 82 ASN H 1.0 0.0 6.0 2317 1365 1 70 ASP H 1 70 ASP HA 1.0 0.0 5.0 2318 1366 1 70 ASP H 1 70 ASP HBx 1.0 0.0 5.0 2319 1366 1 70 ASP H 1 70 ASP HBy 1.0 0.0 5.0 2320 1367 1 70 ASP H 1 71 TYR H 1.0 0.0 5.0 2321 1368 1 70 ASP HA 1 71 TYR H 1.0 0.0 3.0 2322 1369 1 70 ASP HA 1 71 TYR HB2 1.0 0.0 5.0 2323 1369 1 71 TYR HB3 1 70 ASP HA 1.0 0.0 5.0 2324 1370 1 71 TYR HD% 1 70 ASP HA 1.0 0.0 5.0 2325 1371 1 71 TYR HE% 1 70 ASP HA 1.0 0.0 5.5 2326 1372 1 71 TYR H 1 70 ASP HBx 1.0 0.0 5.0 2327 1372 1 70 ASP HBy 1 71 TYR H 1.0 0.0 5.0 2328 1373 1 71 TYR HD% 1 70 ASP HBx 1.0 0.0 6.0 2329 1373 1 71 TYR HD% 1 70 ASP HBy 1.0 0.0 6.0 2330 1374 1 71 TYR HE% 1 70 ASP HBx 1.0 0.0 6.0 2331 1374 1 71 TYR HE% 1 70 ASP HBy 1.0 0.0 6.0 2332 1375 1 72 CYS H 1 70 ASP HBx 1.0 0.0 6.0 2333 1375 1 72 CYS H 1 70 ASP HBy 1.0 0.0 6.0 2334 1376 1 70 ASP HA 1 80 PRO HGx 1.0 0.0 6.0 2335 1376 1 70 ASP HA 1 80 PRO HGy 1.0 0.0 6.0 2336 1377 1 70 ASP HA 1 80 PRO HDx 1.0 0.0 6.0 2337 1377 1 70 ASP HA 1 80 PRO HDy 1.0 0.0 6.0 2338 1378 1 80 PRO HA 1 70 ASP HBx 1.0 0.0 6.0 2339 1378 1 70 ASP HBy 1 80 PRO HA 1.0 0.0 6.0 2340 1379 1 70 ASP HBx 1 80 PRO HGx 1.0 0.0 6.0 2341 1379 1 70 ASP HBy 1 80 PRO HGx 1.0 0.0 6.0 2342 1379 1 80 PRO HGy 1 70 ASP HBx 1.0 0.0 6.0 2343 1379 1 70 ASP HBy 1 80 PRO HGy 1.0 0.0 6.0 2344 1380 1 70 ASP HBy 1 80 PRO HDx 1.0 0.0 6.0 2345 1380 1 70 ASP HBx 1 80 PRO HDx 1.0 0.0 6.0 2346 1380 1 80 PRO HDy 1 70 ASP HBx 1.0 0.0 6.0 2347 1380 1 70 ASP HBy 1 80 PRO HDy 1.0 0.0 6.0 2348 1381 1 81 TRP HA 1 70 ASP HBx 1.0 0.0 5.0 2349 1381 1 70 ASP HBy 1 81 TRP HA 1.0 0.0 5.0 2350 1382 1 70 ASP HA 1 81 TRP HD1 1.0 0.0 6.0 2351 1383 1 70 ASP HA 1 82 ASN HD2y 1.0 0.0 6.0 2352 1383 1 70 ASP HA 1 82 ASN HD2x 1.0 0.0 6.0 2353 1384 1 70 ASP HA 1 82 ASN H 1.0 0.0 6.0 2354 1385 1 82 ASN H 1 70 ASP HBx 1.0 0.0 6.0 2355 1385 1 70 ASP HBy 1 82 ASN H 1.0 0.0 6.0 2356 1386 1 70 ASP HA 1 83 HIS HD2 1.0 0.0 6.0 2357 1387 1 71 TYR HA 1 71 TYR H 1.0 0.0 5.0 2358 1388 1 71 TYR H 1 71 TYR HB2 1.0 0.0 5.0 2359 1388 1 71 TYR HB3 1 71 TYR H 1.0 0.0 5.0 2360 1389 1 71 TYR HD% 1 71 TYR H 1.0 0.0 5.0 2361 1390 1 71 TYR HE% 1 71 TYR H 1.0 0.0 6.0 2362 1391 1 72 CYS H 1 71 TYR H 1.0 0.0 4.5 2363 1392 1 72 CYS H 1 71 TYR HA 1.0 0.0 3.0 2364 1393 1 71 TYR HA 1 72 CYS HBx 1.0 0.0 5.0 2365 1393 1 72 CYS HBy 1 71 TYR HA 1.0 0.0 5.0 2366 1394 1 72 CYS H 1 71 TYR HB2 1.0 0.0 4.0 2367 1394 1 72 CYS H 1 71 TYR HB3 1.0 0.0 4.0 2368 1395 1 72 CYS H 1 71 TYR HD% 1.0 0.0 5.0 2369 1396 1 72 CYS H 1 71 TYR HE% 1.0 0.0 6.0 2370 1397 1 73 THR HG2% 1 71 TYR H 1.0 0.0 6.0 2371 1398 1 73 THR HA 1 71 TYR HB2 1.0 0.0 5.0 2372 1398 1 71 TYR HB3 1 73 THR HA 1.0 0.0 5.0 2373 1399 1 73 THR HG2% 1 71 TYR HB2 1.0 0.0 6.0 2374 1399 1 71 TYR HB3 1 73 THR HG2% 1.0 0.0 6.0 2375 1400 1 71 TYR HD% 1 73 THR HG2% 1.0 0.0 6.0 2376 1401 1 71 TYR H 1 80 PRO HBx 1.0 0.0 5.0 2377 1401 1 71 TYR H 1 80 PRO HBy 1.0 0.0 5.0 2378 1402 1 71 TYR H 1 80 PRO HGx 1.0 0.0 5.0 2379 1402 1 71 TYR H 1 80 PRO HGy 1.0 0.0 5.0 2380 1403 1 71 TYR H 1 80 PRO HDx 1.0 0.0 5.0 2381 1403 1 71 TYR H 1 80 PRO HDy 1.0 0.0 5.0 2382 1404 1 71 TYR HD% 1 80 PRO HDx 1.0 0.0 6.0 2383 1404 1 71 TYR HD% 1 80 PRO HDy 1.0 0.0 6.0 2384 1405 1 71 TYR H 1 82 ASN HD2y 1.0 0.0 6.0 2385 1405 1 71 TYR H 1 82 ASN HD2x 1.0 0.0 6.0 2386 1406 1 72 CYS H 1 72 CYS HA 1.0 0.0 5.0 2387 1407 1 72 CYS H 1 72 CYS HBx 1.0 0.0 5.0 2388 1407 1 72 CYS HBy 1 72 CYS H 1.0 0.0 5.0 2389 1408 1 72 CYS H 1 73 THR H 1.0 0.0 5.0 2390 1409 1 72 CYS H 1 73 THR HA 1.0 0.0 6.0 2391 1410 1 72 CYS H 1 73 THR HG2% 1.0 0.0 6.0 2392 1411 1 73 THR H 1 72 CYS HA 1.0 0.0 4.0 2393 1412 1 73 THR HA 1 72 CYS HA 1.0 0.0 5.0 2394 1413 1 73 THR HG2% 1 72 CYS HA 1.0 0.0 5.0 2395 1414 1 73 THR H 1 72 CYS HBx 1.0 0.0 5.0 2396 1414 1 72 CYS HBy 1 73 THR H 1.0 0.0 5.0 2397 1415 1 72 CYS H 1 74 GLY H 1.0 0.0 6.0 2398 1416 1 74 GLY H 1 72 CYS HA 1.0 0.0 5.0 2399 1417 1 74 GLY H 1 72 CYS HBx 1.0 0.0 5.0 2400 1417 1 72 CYS HBy 1 74 GLY H 1.0 0.0 5.0 2401 1418 1 76 SER H 1 72 CYS HA 1.0 0.0 6.0 2402 1419 1 79 CYS HA 1 72 CYS HA 1.0 0.0 5.0 2403 1420 1 72 CYS H 1 80 PRO HGx 1.0 0.0 6.0 2404 1420 1 72 CYS H 1 80 PRO HGy 1.0 0.0 6.0 2405 1421 1 72 CYS H 1 80 PRO HDx 1.0 0.0 6.0 2406 1421 1 72 CYS H 1 80 PRO HDy 1.0 0.0 6.0 2407 1422 1 72 CYS HA 1 80 PRO HDx 1.0 0.0 5.0 2408 1422 1 72 CYS HA 1 80 PRO HDy 1.0 0.0 5.0 2409 1423 1 73 THR H 1 73 THR HA 1.0 0.0 5.0 2410 1424 1 73 THR H 1 73 THR HB 1.0 0.0 5.0 2411 1425 1 73 THR H 1 73 THR HG2% 1.0 0.0 5.0 2412 1426 1 73 THR H 1 74 GLY H 1.0 0.0 4.0 2413 1427 1 73 THR H 1 74 GLY HAx 1.0 0.0 5.0 2414 1427 1 73 THR H 1 74 GLY HAy 1.0 0.0 5.0 2415 1428 1 74 GLY H 1 73 THR HA 1.0 0.0 4.0 2416 1429 1 74 GLY H 1 73 THR HB 1.0 0.0 5.0 2417 1430 1 74 GLY H 1 73 THR HG2% 1.0 0.0 5.0 2418 1431 1 73 THR H 1 75 LYS H 1.0 0.0 5.0 2419 1432 1 73 THR H 1 75 LYS HBx 1.0 0.0 6.0 2420 1432 1 73 THR H 1 75 LYS HBy 1.0 0.0 6.0 2421 1433 1 73 THR H 1 75 LYS HG2 1.0 0.0 6.0 2422 1433 1 73 THR H 1 75 LYS HG3 1.0 0.0 6.0 2423 1434 1 75 LYS H 1 73 THR HA 1.0 0.0 5.0 2424 1435 1 73 THR HA 1 75 LYS HBx 1.0 0.0 6.0 2425 1435 1 75 LYS HBy 1 73 THR HA 1.0 0.0 6.0 2426 1436 1 73 THR HA 1 75 LYS HG2 1.0 0.0 5.0 2427 1436 1 75 LYS HG3 1 73 THR HA 1.0 0.0 5.0 2428 1437 1 75 LYS H 1 73 THR HB 1.0 0.0 6.0 2429 1438 1 73 THR HB 1 75 LYS HBx 1.0 0.0 6.0 2430 1438 1 75 LYS HBy 1 73 THR HB 1.0 0.0 6.0 2431 1439 1 73 THR HB 1 75 LYS HG2 1.0 0.0 5.0 2432 1439 1 75 LYS HG3 1 73 THR HB 1.0 0.0 5.0 2433 1440 1 73 THR HB 1 75 LYS HDx 1.0 0.0 5.0 2434 1440 1 75 LYS HDy 1 73 THR HB 1.0 0.0 5.0 2435 1441 1 73 THR HB 1 75 LYS HE2 1.0 0.0 5.0 2436 1441 1 75 LYS HE3 1 73 THR HB 1.0 0.0 5.0 2437 1442 1 75 LYS H 1 73 THR HG2% 1.0 0.0 5.0 2438 1443 1 73 THR HG2% 1 75 LYS HBx 1.0 0.0 5.0 2439 1443 1 75 LYS HBy 1 73 THR HG2% 1.0 0.0 5.0 2440 1444 1 73 THR HG2% 1 75 LYS HE2 1.0 0.0 6.0 2441 1444 1 73 THR HG2% 1 75 LYS HE3 1.0 0.0 6.0 2442 1445 1 73 THR HG2% 1 75 LYS HZ% 1.0 0.0 6.0 2443 1446 1 73 THR H 1 76 SER H 1.0 0.0 5.0 2444 1447 1 73 THR H 1 76 SER HBx 1.0 0.0 6.0 2445 1447 1 73 THR H 1 76 SER HBy 1.0 0.0 6.0 2446 1448 1 76 SER H 1 73 THR HG2% 1.0 0.0 5.0 2447 1449 1 73 THR HG2% 1 76 SER HBx 1.0 0.0 5.0 2448 1449 1 76 SER HBy 1 73 THR HG2% 1.0 0.0 5.0 2449 1450 1 79 CYS HA 1 73 THR H 1.0 0.0 6.0 2450 1451 1 79 CYS H 1 73 THR HG2% 1.0 0.0 6.0 2451 1452 1 79 CYS HA 1 73 THR HG2% 1.0 0.0 5.0 2452 1453 1 73 THR H 1 80 PRO HBx 1.0 0.0 6.0 2453 1453 1 73 THR H 1 80 PRO HBy 1.0 0.0 6.0 2454 1454 1 73 THR H 1 80 PRO HGx 1.0 0.0 6.0 2455 1454 1 73 THR H 1 80 PRO HGy 1.0 0.0 6.0 2456 1455 1 73 THR H 1 80 PRO HDx 1.0 0.0 6.0 2457 1455 1 73 THR H 1 80 PRO HDy 1.0 0.0 6.0 2458 1456 1 73 THR HG2% 1 80 PRO HBx 1.0 0.0 4.0 2459 1456 1 73 THR HG2% 1 80 PRO HBy 1.0 0.0 4.0 2460 1457 1 73 THR HG2% 1 80 PRO HGx 1.0 0.0 4.0 2461 1457 1 73 THR HG2% 1 80 PRO HGy 1.0 0.0 4.0 2462 1458 1 73 THR HG2% 1 80 PRO HDx 1.0 0.0 5.0 2463 1458 1 73 THR HG2% 1 80 PRO HDy 1.0 0.0 5.0 2464 1459 1 74 GLY H 1 74 GLY HAx 1.0 0.0 5.0 2465 1459 1 74 GLY H 1 74 GLY HAy 1.0 0.0 5.0 2466 1460 1 74 GLY H 1 75 LYS H 1.0 0.0 4.0 2467 1461 1 75 LYS H 1 74 GLY HAx 1.0 0.0 4.0 2468 1461 1 74 GLY HAy 1 75 LYS H 1.0 0.0 4.0 2469 1462 1 74 GLY H 1 75 LYS HBx 1.0 0.0 6.0 2470 1462 1 74 GLY H 1 75 LYS HBy 1.0 0.0 6.0 2471 1463 1 74 GLY H 1 75 LYS HG2 1.0 0.0 6.0 2472 1463 1 74 GLY H 1 75 LYS HG3 1.0 0.0 6.0 2473 1464 1 76 SER H 1 74 GLY H 1.0 0.0 4.0 2474 1465 1 76 SER H 1 74 GLY HAx 1.0 0.0 5.0 2475 1465 1 76 SER H 1 74 GLY HAy 1.0 0.0 5.0 2476 1466 1 75 LYS H 1 75 LYS HA 1.0 0.0 5.0 2477 1467 1 75 LYS H 1 75 LYS HBx 1.0 0.0 5.0 2478 1467 1 75 LYS H 1 75 LYS HBy 1.0 0.0 5.0 2479 1468 1 75 LYS H 1 75 LYS HG2 1.0 0.0 5.0 2480 1468 1 75 LYS H 1 75 LYS HG3 1.0 0.0 5.0 2481 1469 1 75 LYS H 1 75 LYS HDx 1.0 0.0 6.0 2482 1469 1 75 LYS H 1 75 LYS HDy 1.0 0.0 6.0 2483 1470 1 76 SER H 1 75 LYS H 1.0 0.0 3.0 2484 1471 1 75 LYS H 1 76 SER HA 1.0 0.0 5.0 2485 1472 1 75 LYS H 1 76 SER HBx 1.0 0.0 5.0 2486 1472 1 75 LYS H 1 76 SER HBy 1.0 0.0 5.0 2487 1473 1 76 SER H 1 75 LYS HA 1.0 0.0 4.0 2488 1474 1 76 SER H 1 75 LYS HBx 1.0 0.0 5.0 2489 1474 1 76 SER H 1 75 LYS HBy 1.0 0.0 5.0 2490 1475 1 75 LYS HBy 1 76 SER HBx 1.0 0.0 6.0 2491 1475 1 75 LYS HBx 1 76 SER HBx 1.0 0.0 6.0 2492 1475 1 76 SER HBy 1 75 LYS HBx 1.0 0.0 6.0 2493 1475 1 75 LYS HBy 1 76 SER HBy 1.0 0.0 6.0 2494 1476 1 76 SER H 1 75 LYS HG2 1.0 0.0 5.0 2495 1476 1 76 SER H 1 75 LYS HG3 1.0 0.0 5.0 2496 1477 1 75 LYS HG2 1 76 SER HBx 1.0 0.0 6.0 2497 1477 1 75 LYS HG3 1 76 SER HBx 1.0 0.0 6.0 2498 1477 1 76 SER HBy 1 75 LYS HG2 1.0 0.0 6.0 2499 1477 1 75 LYS HG3 1 76 SER HBy 1.0 0.0 6.0 2500 1478 1 76 SER H 1 75 LYS HZ% 1.0 0.0 6.0 2501 1479 1 77 SER H 1 75 LYS H 1.0 0.0 6.0 2502 1480 1 76 SER H 1 76 SER HA 1.0 0.0 5.0 2503 1481 1 76 SER H 1 76 SER HBx 1.0 0.0 5.0 2504 1481 1 76 SER H 1 76 SER HBy 1.0 0.0 5.0 2505 1482 1 77 SER H 1 76 SER H 1.0 0.0 5.0 2506 1483 1 77 SER H 1 76 SER HA 1.0 0.0 3.0 2507 1484 1 76 SER HA 1 77 SER HBx 1.0 0.0 6.0 2508 1484 1 77 SER HBy 1 76 SER HA 1.0 0.0 6.0 2509 1485 1 77 SER H 1 76 SER HBx 1.0 0.0 4.0 2510 1485 1 77 SER H 1 76 SER HBy 1.0 0.0 4.0 2511 1486 1 76 SER H 1 78 ASP H 1.0 0.0 6.0 2512 1487 1 78 ASP H 1 76 SER HA 1.0 0.0 4.0 2513 1488 1 78 ASP H 1 76 SER HBx 1.0 0.0 4.0 2514 1488 1 78 ASP H 1 76 SER HBy 1.0 0.0 4.0 2515 1489 1 76 SER HBy 1 78 ASP HBx 1.0 0.0 6.0 2516 1489 1 78 ASP HBy 1 76 SER HBx 1.0 0.0 6.0 2517 1489 1 78 ASP HBy 1 76 SER HBy 1.0 0.0 6.0 2518 1489 1 76 SER HBx 1 78 ASP HBx 1.0 0.0 6.0 2519 1490 1 77 SER H 1 77 SER HA 1.0 0.0 5.0 2520 1491 1 77 SER H 1 77 SER HBx 1.0 0.0 5.0 2521 1491 1 77 SER H 1 77 SER HBy 1.0 0.0 5.0 2522 1492 1 77 SER H 1 78 ASP H 1.0 0.0 3.0 2523 1493 1 77 SER H 1 78 ASP HBx 1.0 0.0 5.0 2524 1493 1 77 SER H 1 78 ASP HBy 1.0 0.0 5.0 2525 1494 1 77 SER HA 1 78 ASP H 1.0 0.0 4.0 2526 1495 1 78 ASP H 1 77 SER HBx 1.0 0.0 5.0 2527 1495 1 77 SER HBy 1 78 ASP H 1.0 0.0 5.0 2528 1496 1 78 ASP HA 1 78 ASP H 1.0 0.0 5.0 2529 1497 1 78 ASP H 1 78 ASP HBx 1.0 0.0 5.0 2530 1497 1 78 ASP HBy 1 78 ASP H 1.0 0.0 5.0 2531 1498 1 79 CYS H 1 78 ASP H 1.0 0.0 5.0 2532 1499 1 79 CYS HA 1 78 ASP H 1.0 0.0 6.0 2533 1500 1 78 ASP HA 1 79 CYS H 1.0 0.0 3.0 2534 1501 1 78 ASP HA 1 79 CYS HA 1.0 0.0 5.0 2535 1502 1 78 ASP HA 1 79 CYS HBx 1.0 0.0 5.0 2536 1502 1 78 ASP HA 1 79 CYS HBy 1.0 0.0 5.0 2537 1503 1 79 CYS H 1 78 ASP HBx 1.0 0.0 4.0 2538 1503 1 79 CYS H 1 78 ASP HBy 1.0 0.0 4.0 2539 1504 1 79 CYS HA 1 78 ASP HBx 1.0 0.0 6.0 2540 1504 1 79 CYS HA 1 78 ASP HBy 1.0 0.0 6.0 2541 1505 1 80 PRO HA 1 78 ASP HBx 1.0 0.0 5.0 2542 1505 1 78 ASP HBy 1 80 PRO HA 1.0 0.0 5.0 2543 1506 1 78 ASP HBy 1 80 PRO HDx 1.0 0.0 6.0 2544 1506 1 78 ASP HBx 1 80 PRO HDx 1.0 0.0 6.0 2545 1506 1 80 PRO HDy 1 78 ASP HBx 1.0 0.0 6.0 2546 1506 1 78 ASP HBy 1 80 PRO HDy 1.0 0.0 6.0 2547 1507 1 79 CYS H 1 79 CYS HA 1.0 0.0 5.0 2548 1508 1 79 CYS H 1 79 CYS HBx 1.0 0.0 5.0 2549 1508 1 79 CYS H 1 79 CYS HBy 1.0 0.0 5.0 2550 1509 1 79 CYS H 1 80 PRO HDx 1.0 0.0 5.0 2551 1509 1 79 CYS H 1 80 PRO HDy 1.0 0.0 5.0 2552 1510 1 79 CYS HA 1 80 PRO HA 1.0 0.0 5.0 2553 1511 1 79 CYS HA 1 80 PRO HBx 1.0 0.0 5.0 2554 1511 1 79 CYS HA 1 80 PRO HBy 1.0 0.0 5.0 2555 1512 1 79 CYS HA 1 80 PRO HGx 1.0 0.0 5.0 2556 1512 1 79 CYS HA 1 80 PRO HGy 1.0 0.0 5.0 2557 1513 1 79 CYS HA 1 80 PRO HDx 1.0 0.0 4.0 2558 1513 1 79 CYS HA 1 80 PRO HDy 1.0 0.0 4.0 2559 1514 1 79 CYS HBy 1 80 PRO HDx 1.0 0.0 5.0 2560 1514 1 79 CYS HBx 1 80 PRO HDx 1.0 0.0 5.0 2561 1514 1 80 PRO HDy 1 79 CYS HBx 1.0 0.0 5.0 2562 1514 1 79 CYS HBy 1 80 PRO HDy 1.0 0.0 5.0 2563 1515 1 80 PRO HA 1 81 TRP H 1.0 0.0 3.5 2564 1516 1 80 PRO HA 1 81 TRP HBx 1.0 0.0 5.0 2565 1516 1 80 PRO HA 1 81 TRP HBy 1.0 0.0 5.0 2566 1517 1 80 PRO HA 1 81 TRP HD1 1.0 0.0 4.5 2567 1518 1 80 PRO HA 1 81 TRP HE1 1.0 0.0 6.0 2568 1519 1 81 TRP H 1 80 PRO HBx 1.0 0.0 4.0 2569 1519 1 80 PRO HBy 1 81 TRP H 1.0 0.0 4.0 2570 1520 1 80 PRO HBx 1 81 TRP HBx 1.0 0.0 6.0 2571 1520 1 80 PRO HBy 1 81 TRP HBx 1.0 0.0 6.0 2572 1520 1 81 TRP HBy 1 80 PRO HBx 1.0 0.0 6.0 2573 1520 1 80 PRO HBy 1 81 TRP HBy 1.0 0.0 6.0 2574 1521 1 80 PRO HGy 1 81 TRP HBx 1.0 0.0 6.0 2575 1521 1 80 PRO HGx 1 81 TRP HBx 1.0 0.0 6.0 2576 1521 1 81 TRP HBy 1 80 PRO HGx 1.0 0.0 6.0 2577 1521 1 81 TRP HBy 1 80 PRO HGy 1.0 0.0 6.0 2578 1522 1 81 TRP HD1 1 80 PRO HBx 1.0 0.0 6.0 2579 1522 1 80 PRO HBy 1 81 TRP HD1 1.0 0.0 6.0 2580 1523 1 81 TRP HE1 1 80 PRO HBx 1.0 0.0 6.0 2581 1523 1 80 PRO HBy 1 81 TRP HE1 1.0 0.0 6.0 2582 1524 1 81 TRP H 1 80 PRO HGx 1.0 0.0 5.0 2583 1524 1 81 TRP H 1 80 PRO HGy 1.0 0.0 5.0 2584 1525 1 81 TRP HD1 1 80 PRO HGx 1.0 0.0 6.0 2585 1525 1 81 TRP HD1 1 80 PRO HGy 1.0 0.0 6.0 2586 1526 1 81 TRP H 1 80 PRO HDx 1.0 0.0 6.0 2587 1526 1 81 TRP H 1 80 PRO HDy 1.0 0.0 6.0 2588 1527 1 80 PRO HA 1 82 ASN H 1.0 0.0 5.0 2589 1528 1 82 ASN H 1 80 PRO HBx 1.0 0.0 5.0 2590 1528 1 80 PRO HBy 1 82 ASN H 1.0 0.0 5.0 2591 1529 1 80 PRO HBx 1 82 ASN HD2y 1.0 0.0 6.0 2592 1529 1 80 PRO HBy 1 82 ASN HD2y 1.0 0.0 6.0 2593 1529 1 82 ASN HD2x 1 80 PRO HBx 1.0 0.0 6.0 2594 1529 1 80 PRO HBy 1 82 ASN HD2x 1.0 0.0 6.0 2595 1530 1 82 ASN H 1 80 PRO HGx 1.0 0.0 5.0 2596 1530 1 82 ASN H 1 80 PRO HGy 1.0 0.0 5.0 2597 1531 1 82 ASN H 1 80 PRO HDx 1.0 0.0 6.0 2598 1531 1 82 ASN H 1 80 PRO HDy 1.0 0.0 6.0 2599 1532 1 80 PRO HGy 1 82 ASN HD2y 1.0 0.0 5.0 2600 1532 1 80 PRO HGx 1 82 ASN HD2y 1.0 0.0 5.0 2601 1532 1 82 ASN HD2x 1 80 PRO HGx 1.0 0.0 5.0 2602 1532 1 82 ASN HD2x 1 80 PRO HGy 1.0 0.0 5.0 2603 1533 1 81 TRP H 1 81 TRP HA 1.0 0.0 5.0 2604 1534 1 81 TRP H 1 81 TRP HBx 1.0 0.0 5.0 2605 1534 1 81 TRP H 1 81 TRP HBy 1.0 0.0 5.0 2606 1535 1 81 TRP H 1 81 TRP HD1 1.0 0.0 5.0 2607 1536 1 81 TRP H 1 81 TRP HE1 1.0 0.0 5.0 2608 1537 1 81 TRP H 1 82 ASN H 1.0 0.0 4.0 2609 1538 1 81 TRP HA 1 82 ASN H 1.0 0.0 3.5 2610 1539 1 81 TRP HA 1 82 ASN HB2 1.0 0.0 6.0 2611 1539 1 81 TRP HA 1 82 ASN HB3 1.0 0.0 6.0 2612 1540 1 82 ASN H 1 81 TRP HBx 1.0 0.0 5.0 2613 1540 1 81 TRP HBy 1 82 ASN H 1.0 0.0 5.0 2614 1541 1 81 TRP HD1 1 82 ASN H 1.0 0.0 5.0 2615 1542 1 81 TRP HD1 1 82 ASN HA 1.0 0.0 6.0 2616 1543 1 81 TRP HE1 1 82 ASN H 1.0 0.0 6.0 2617 1544 1 81 TRP HE3 1 82 ASN H 1.0 0.0 6.0 2618 1545 1 83 HIS H 1 81 TRP HBx 1.0 0.0 6.0 2619 1545 1 81 TRP HBy 1 83 HIS H 1.0 0.0 6.0 2620 1546 1 81 TRP HD1 1 83 HIS H 1.0 0.0 6.0 2621 1547 1 81 TRP HE3 1 83 HIS HE1 1.0 0.0 6.0 2622 1548 1 81 TRP HZ2 1 83 HIS HBx 1.0 0.0 6.0 2623 1548 1 81 TRP HZ2 1 83 HIS HBy 1.0 0.0 6.0 2624 1549 1 82 ASN H 1 82 ASN HA 1.0 0.0 5.0 2625 1550 1 82 ASN H 1 82 ASN HB2 1.0 0.0 5.0 2626 1550 1 82 ASN H 1 82 ASN HB3 1.0 0.0 5.0 2627 1551 1 82 ASN H 1 82 ASN HD2y 1.0 0.0 5.0 2628 1551 1 82 ASN H 1 82 ASN HD2x 1.0 0.0 5.0 2629 1552 1 82 ASN H 1 83 HIS H 1.0 0.0 4.0 2630 1553 1 82 ASN H 1 83 HIS HD2 1.0 0.0 6.0 2631 1554 1 83 HIS H 1 82 ASN HA 1.0 0.0 4.0 2632 1555 1 83 HIS HD2 1 82 ASN HA 1.0 0.0 6.0 2633 1556 1 83 HIS H 1 82 ASN HB2 1.0 0.0 5.0 2634 1556 1 83 HIS H 1 82 ASN HB3 1.0 0.0 5.0 2635 1557 1 83 HIS HD2 1 82 ASN HB2 1.0 0.0 5.0 2636 1557 1 83 HIS HD2 1 82 ASN HB3 1.0 0.0 5.0 2637 1558 1 83 HIS HE1 1 82 ASN HB2 1.0 0.0 6.0 2638 1558 1 83 HIS HE1 1 82 ASN HB3 1.0 0.0 6.0 2639 1559 1 83 HIS HA 1 83 HIS H 1.0 0.0 5.0 2640 1560 1 83 HIS H 1 83 HIS HBx 1.0 0.0 5.0 2641 1560 1 83 HIS HBy 1 83 HIS H 1.0 0.0 5.0 2642 1561 1 83 HIS HD2 1 83 HIS H 1.0 0.0 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 5 CYS H 1 3 PRO HBx 1.0 0.0 6.0 2 1 1 5 CYS H 1 14 GLU HBx 1.0 0.0 6.0 3 1 1 5 CYS H 1 14 GLU HBy 1.0 0.0 6.0 4 1 1 3 PRO HBy 1 5 CYS H 1.0 0.0 6.0 5 2 1 5 CYS H 1 8 LYS HBx 1.0 0.0 6.0 6 2 1 3 PRO HBy 1 5 CYS H 1.0 0.0 6.0 7 2 1 5 CYS H 1 8 LYS HBy 1.0 0.0 6.0 8 2 1 11 GLU HBy 1 5 CYS H 1.0 0.0 6.0 9 2 1 5 CYS H 1 11 GLU HBx 1.0 0.0 6.0 10 2 1 5 CYS H 1 3 PRO HBx 1.0 0.0 6.0 11 3 1 8 LYS H 1 4 VAL HGx% 1.0 0.0 6.0 12 3 1 9 ILE HG2% 1 8 LYS H 1.0 0.0 6.0 13 3 1 4 VAL HGy% 1 8 LYS H 1.0 0.0 6.0 14 4 1 8 LYS HA 1 4 VAL HGx% 1.0 0.0 6.0 15 4 1 9 ILE HD1% 1 8 LYS HA 1.0 0.0 6.0 16 4 1 4 VAL HGy% 1 8 LYS HA 1.0 0.0 6.0 17 5 1 16 CYS H 1 35 LYS HG2 1.0 0.0 6.0 18 5 1 16 CYS H 1 35 LYS HG3 1.0 0.0 6.0 19 5 1 9 ILE HB 1 16 CYS H 1.0 0.0 6.0 20 6 1 25 GLN H 1 26 ASP HA 1.0 0.0 5.0 21 6 1 25 GLN H 1 23 ASN HA 1.0 0.0 5.0 22 7 1 25 GLN H 1 26 ASP HBx 1.0 0.0 6.0 23 7 1 25 GLN H 1 23 ASN HBx 1.0 0.0 6.0 24 7 1 25 GLN H 1 26 ASP HBy 1.0 0.0 6.0 25 7 1 25 GLN H 1 23 ASN HBy 1.0 0.0 6.0 26 8 1 23 ASN HA 1 25 GLN HE2y 1.0 0.0 6.0 27 8 1 26 ASP HA 1 25 GLN HE2y 1.0 0.0 6.0 28 8 1 26 ASP HA 1 25 GLN HE2x 1.0 0.0 6.0 29 8 1 23 ASN HA 1 25 GLN HE2x 1.0 0.0 6.0 30 9 1 30 ASN HBx 1 35 LYS HBx 1.0 0.0 6.0 31 9 1 36 LEU HBy 1 30 ASN HBy 1.0 0.0 6.0 32 9 1 30 ASN HBy 1 36 LEU HBx 1.0 0.0 6.0 33 9 1 35 LYS HBy 1 30 ASN HBx 1.0 0.0 6.0 34 9 1 30 ASN HBy 1 35 LYS HBy 1.0 0.0 6.0 35 9 1 30 ASN HBx 1 36 LEU HBx 1.0 0.0 6.0 36 9 1 36 LEU HBy 1 30 ASN HBx 1.0 0.0 6.0 37 9 1 30 ASN HBy 1 35 LYS HBx 1.0 0.0 6.0 38 10 1 29 CYS H 1 31 ALA HB% 1.0 0.0 6.0 39 10 1 26 ASP H 1 31 ALA HB% 1.0 0.0 6.0 40 11 1 49 ASP HA 1 54 LYS HE2 1.0 0.0 6.0 41 11 1 72 CYS HA 1 54 LYS HE2 1.0 0.0 6.0 42 11 1 54 LYS HE3 1 72 CYS HA 1.0 0.0 6.0 43 11 1 54 LYS HE3 1 49 ASP HA 1.0 0.0 6.0 44 12 1 60 CYS HA 1 54 LYS HZ% 1.0 0.0 6.0 45 12 1 53 PHE HA 1 54 LYS HZ% 1.0 0.0 6.0 46 13 1 56 ALA HB% 1 55 LYS HBx 1.0 0.0 6.0 47 13 1 56 ALA HB% 1 55 LYS HD2 1.0 0.0 6.0 48 13 1 55 LYS HD3 1 56 ALA HB% 1.0 0.0 6.0 49 13 1 55 LYS HBy 1 56 ALA HB% 1.0 0.0 6.0 50 14 1 56 ALA HB% 1 75 LYS HZ% 1.0 0.0 6.0 51 14 1 56 ALA HB% 1 55 LYS HZ% 1.0 0.0 6.0 52 15 1 56 ALA HA 1 55 LYS HD2 1.0 0.0 6.0 53 15 1 56 ALA HA 1 55 LYS HD3 1.0 0.0 6.0 54 15 1 56 ALA HA 1 55 LYS HBy 1.0 0.0 6.0 55 15 1 56 ALA HA 1 55 LYS HBx 1.0 0.0 6.0 56 16 1 57 GLY H 1 74 GLY HAx 1.0 0.0 6.0 57 16 1 74 GLY HAy 1 57 GLY H 1.0 0.0 6.0 58 16 1 57 GLY H 1 73 THR HA 1.0 0.0 6.0 59 17 1 58 THR H 1 74 GLY HAx 1.0 0.0 6.0 60 17 1 74 GLY HAy 1 58 THR H 1.0 0.0 6.0 61 17 1 58 THR H 1 73 THR HA 1.0 0.0 6.0 62 18 1 59 VAL H 1 71 TYR H 1.0 0.0 6.0 63 18 1 57 GLY H 1 59 VAL H 1.0 0.0 6.0 64 19 1 69 ASP HA 1 67 TRP HD1 1.0 0.0 6.0 65 19 1 66 ASP HA 1 67 TRP HD1 1.0 0.0 6.0 66 20 1 69 ASP HA 1 67 TRP HE1 1.0 0.0 6.0 67 20 1 66 ASP HA 1 67 TRP HE1 1.0 0.0 6.0 68 21 1 69 ASP HA 1 67 TRP HZ2 1.0 0.0 6.0 69 21 1 66 ASP HA 1 67 TRP HZ2 1.0 0.0 6.0 70 22 1 69 ASP HA 1 67 TRP HE3 1.0 0.0 6.0 71 22 1 66 ASP HA 1 67 TRP HE3 1.0 0.0 6.0 72 23 1 70 ASP HA 1 82 ASN HB2 1.0 0.0 6.0 73 23 1 70 ASP HA 1 69 ASP HBx 1.0 0.0 6.0 74 23 1 70 ASP HA 1 82 ASN HB3 1.0 0.0 6.0 75 23 1 69 ASP HBy 1 70 ASP HA 1.0 0.0 6.0 76 24 1 73 THR H 1 71 TYR HB2 1.0 0.0 6.0 77 24 1 73 THR H 1 71 TYR HB3 1.0 0.0 6.0 78 24 1 53 PHE HBy 1 73 THR H 1.0 0.0 6.0 79 24 1 73 THR H 1 53 PHE HBx 1.0 0.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 37 THR H 1 28 CYS O 1.0 0.0 2.3 2 2 1 28 CYS O 1 37 THR N 1.0 2.5 3.3 3 3 1 35 LYS H 1 30 ASN O 1.0 0.0 2.3 4 4 1 30 ASN O 1 35 LYS N 1.0 2.5 3.3 5 5 1 30 ASN H 1 35 LYS O 1.0 0.0 2.3 6 6 1 35 LYS O 1 30 ASN N 1.0 2.5 3.3 7 7 1 40 SER H 1 37 THR O 1.0 0.0 2.3 8 8 1 37 THR O 1 40 SER N 1.0 2.5 3.3 9 9 1 48 CYS H 1 45 GLY O 1.0 0.0 2.3 10 10 1 45 GLY O 1 48 CYS N 1.0 2.5 3.3 11 11 1 54 LYS H 1 47 CYS O 1.0 0.0 2.3 12 12 1 47 CYS O 1 54 LYS N 1.0 2.5 3.3 13 13 1 52 ARG H 1 49 ASP O 1.0 0.0 2.3 14 14 1 49 ASP O 1 52 ARG N 1.0 2.5 3.3 15 15 1 41 GLN H 1 51 CYS O 1.0 0.0 2.3 16 16 1 51 CYS O 1 41 GLN N 1.0 2.5 3.3 17 17 1 49 ASP H 1 52 ARG O 1.0 0.0 2.3 18 18 1 52 ARG O 1 49 ASP N 1.0 2.5 3.3 19 19 1 58 THR H 1 55 LYS O 1.0 0.0 2.3 20 20 1 55 LYS O 1 58 THR N 1.0 2.5 3.3 21 21 1 72 CYS H 1 58 THR O 1.0 0.0 2.3 22 22 1 58 THR O 1 72 CYS N 1.0 2.5 3.3 23 23 1 60 CYS H 1 70 ASP O 1.0 0.0 2.3 24 24 1 70 ASP O 1 60 CYS N 1.0 2.5 3.3 25 25 1 57 GLY H 1 72 CYS O 1.0 0.0 2.3 26 26 1 72 CYS O 1 57 GLY N 1.0 2.5 3.3 27 27 1 47 CYS H 1 77 SER O 1.0 0.0 2.3 28 28 1 77 SER O 1 47 CYS N 1.0 2.5 3.3 29 29 1 71 TYR H 1 80 PRO O 1.0 0.0 2.3 30 30 1 80 PRO O 1 71 TYR N 1.0 2.5 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 1 3 PRO C 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1.0 -119.6 -54.8 PHI 2 2 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 CYS N 1.0 110.4 150.4 PSI 3 3 1 4 VAL C 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1.0 -121.9 -81.3 PHI 4 4 1 5 CYS N 1 5 CYS CA 1 5 CYS C 1 6 GLY N 1.0 85.4 150.0 PSI 5 5 1 8 LYS C 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1.0 -130.1 -63.5 PHI 6 6 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 LEU N 1.0 99.9 151.1 PSI 7 7 1 9 ILE C 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1.0 -128.9 -48.3 PHI 8 8 1 13 GLY C 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1.0 -96.8 -40.8 PHI 9 9 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ASP N 1.0 -60.5 4.9 PSI 10 10 1 14 GLU C 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1.0 32.4 91.6 PHI 11 11 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 CYS N 1.0 11.1 63.7 PSI 12 12 1 16 CYS C 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1.0 -162.4 -47.8 PHI 13 13 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 CYS N 1.0 106.6 161.4 PSI 14 14 1 17 ASP C 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1.0 -172.6 -79.2 PHI 15 15 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 GLY N 1.0 127.4 183.2 PSI 16 16 1 19 GLY C 1 20 SER N 1 20 SER CA 1 20 SER C 1.0 -138.4 -18.0 PHI 17 17 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 PRO N 1.0 65.0 199.4 PSI 18 18 1 20 SER C 1 21 PRO N 1 21 PRO CA 1 21 PRO C 1.0 -74.7 -33.5 PHI 19 19 1 21 PRO N 1 21 PRO CA 1 21 PRO C 1 22 ALA N 1.0 -53.8 -13.8 PSI 20 20 1 21 PRO C 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1.0 -86.3 -46.3 PHI 21 21 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 ASN N 1.0 -49.8 -9.8 PSI 22 22 1 22 ALA C 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1.0 -107.3 -60.3 PHI 23 23 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 CYS N 1.0 -47.3 22.1 PSI 24 24 1 25 GLN C 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1.0 -173.7 -47.1 PHI 25 25 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 ARG N 1.0 96.1 164.5 PSI 26 26 1 27 ARG C 1 28 CYS N 1 28 CYS CA 1 28 CYS C 1.0 -134.8 -52.4 PHI 27 27 1 28 CYS N 1 28 CYS CA 1 28 CYS C 1 29 CYS N 1.0 -49.0 35.4 PSI 28 28 1 29 CYS C 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1.0 -112.3 -57.9 PHI 29 29 1 30 ASN N 1 30 ASN CA 1 30 ASN C 1 31 ALA N 1.0 71.4 155.8 PSI 30 30 1 30 ASN C 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1.0 -77.1 -37.1 PHI 31 31 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ALA N 1.0 -53.0 -6.6 PSI 32 32 1 31 ALA C 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1.0 -107.9 -40.3 PHI 33 33 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 THR N 1.0 -61.7 -0.9 PSI 34 34 1 32 ALA C 1 33 THR N 1 33 THR CA 1 33 THR C 1.0 -140.1 -80.7 PHI 35 35 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 CYS N 1.0 -63.3 42.9 PSI 36 36 1 37 THR C 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1.0 -78.2 -38.2 PHI 37 37 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 GLY N 1.0 116.2 160.2 PSI 38 38 1 40 SER C 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1.0 -113.5 -62.7 PHI 39 39 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 CYS N 1.0 -68.8 16.2 PSI 40 40 1 45 GLY C 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1.0 -81.6 -41.6 PHI 41 41 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 CYS N 1.0 -45.7 -5.7 PSI 42 42 1 46 GLU C 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1.0 -125.6 -54.2 PHI 43 43 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 CYS N 1.0 -33.4 37.6 PSI 44 44 1 47 CYS C 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1.0 -157.9 -68.7 PHI 45 45 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1 49 ASP N 1.0 106.2 158.2 PSI 46 46 1 48 CYS C 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1.0 -182.6 -60.0 PHI 47 47 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 GLN N 1.0 103.9 143.9 PSI 48 48 1 50 GLN C 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1.0 45.9 90.9 PHI 49 49 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1 52 ARG N 1.0 -20.0 46.4 PSI 50 50 1 51 CYS C 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1.0 -162.8 -72.0 PHI 51 51 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 PHE N 1.0 107.7 176.7 PSI 52 52 1 52 ARG C 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1.0 -124.8 -51.6 PHI 53 53 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 LYS N 1.0 81.6 168.4 PSI 54 54 1 56 ALA C 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1.0 66.4 116.2 PHI 55 55 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 THR N 1.0 -30.4 17.8 PSI 56 56 1 57 GLY C 1 58 THR N 1 58 THR CA 1 58 THR C 1.0 -109.1 -45.9 PHI 57 57 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 VAL N 1.0 105.8 145.8 PSI 58 58 1 58 THR C 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1.0 -111.0 -45.4 PHI 59 59 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 CYS N 1.0 93.9 162.7 PSI 60 60 1 60 CYS C 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1.0 -152.7 -46.7 PHI 61 61 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ILE N 1.0 96.8 181.6 PSI 62 62 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 ALA N 1.0 100.4 158.8 PSI 63 63 1 66 ASP C 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1.0 -120.1 -44.9 PHI 64 64 1 67 TRP N 1 67 TRP CA 1 67 TRP C 1 68 ASN N 1.0 -68.6 37.8 PSI 65 65 1 67 TRP C 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1.0 -118.1 -50.5 PHI 66 66 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 ASP N 1.0 -58.4 40.4 PSI 67 67 1 69 ASP C 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1.0 -143.2 -70.8 PHI 68 68 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 TYR N 1.0 106.9 190.1 PSI 69 69 1 70 ASP C 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1.0 -151.6 -92.0 PHI 70 70 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 CYS N 1.0 108.2 183.4 PSI 71 71 1 72 CYS C 1 73 THR N 1 73 THR CA 1 73 THR C 1.0 -155.5 -70.1 PHI 72 72 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 GLY N 1.0 -25.1 36.9 PSI 73 73 1 73 THR C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1.0 42.9 95.3 PHI 74 74 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 LYS N 1.0 -6.7 58.1 PSI 75 75 1 74 GLY C 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1.0 -141.4 -58.8 PHI 76 76 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 SER N 1.0 -58.5 34.5 PSI 77 77 1 76 SER C 1 77 SER N 1 77 SER CA 1 77 SER C 1.0 -97.2 -52.8 PHI 78 78 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 ASP N 1.0 -64.9 11.7 PSI 79 79 1 78 ASP C 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1.0 -130.8 -42.2 PHI 80 80 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 PRO N 1.0 89.2 183.2 PSI 81 81 1 79 CYS C 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1.0 -86.8 -46.8 PHI 82 82 1 80 PRO N 1 80 PRO CA 1 80 PRO C 1 81 TRP N 1.0 129.1 169.1 PSI stop_ save_