data_SASDAN2_MAIN # _sas_result.id 21 _sas_result.SASBDB_code SASDAN2 _sas_result.experimental_MW 14.500 _sas_result.experimental_MW_error . _sas_result.MW_standard 14.500 _sas_result.MW_standard_error . _sas_result.MW_Porod . _sas_result.MW_Porod_error . _sas_result.I0_from_PR 13.4000000000 _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 13.5000000000 _sas_result.I0_from_Guinier_error . _sas_result.Rg_from_PR 1.590 _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 1.580 _sas_result.Rg_from_Guinier_error . _sas_result.D_max 5.00 _sas_result.Porod_volume 14.70 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 136 _sas_result.Guinier_point_max 271 _sas_result.type_of_curve merged _sas_result.standard BSA _sas_result.Dmax_error . _sas_result.comments merged # _sas_scan.title "RNase in PBS" _sas_scan.detc_id 1 _sas_scan.id 21 _sas_scan.measurement_date 2012-09-18 _sas_scan.storage_temperature 10.0 _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time 15.000 _sas_scan.number_of_frames 8 _sas_scan.unit 1/nm _sas_scan.qmin 0.0871 _sas_scan.qmax 17.6809 _sas_scan.sample_id 12 _sas_scan.result_id 21 _sas_scan.beam_id 1 # _sas_beam.id 1 _sas_beam.instrument_name "DORIS III EMBL X33" _sas_beam.instrument_city Hamburg _sas_beam.instrument_country Germany _sas_beam.shape 0.60 _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.150000 _sas_beam.dist_spec_to_detc 2.70000 # _sas_detc.id 1 _sas_detc.name "Pilatus 1M-W" _sas_detc.type . _sas_detc.pixsize_x 0.172 # _sas_sample.id 12 _sas_sample.name "RNase in PBS" _sas_sample.ext_coefficient 6.900 _sas_sample.contrast 3.163 _sas_sample.specific_vol 0.7279 _sas_sample.purity_method "gel filtration" _sas_sample.dry_vol 19917 _sas_sample.sample_MW 16.46 _sas_sample.specimen_concentration 22.60 _sas_sample.concentration_method nanodrop _sas_sample.entity_id 17 # _sas_buffer.id 2 _sas_buffer.name PBS _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK 7.000 _sas_buffer.pH 7.400 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 12 # _entity.id 17 _entity.type protein _entity.pdbx_description "Ribonuclease pancreatic" _entity.formula_weight 16.460 _entity.pdbx_number_of_molecules 1 # _entity_name_com.entity_id 17 _entity_name_com.name RNase # _entity_poly.entity_id 17 _entity_poly.pdbx_seq_one_letter_code ;MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRN LTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPN CAYKTTQANKHIIVACEGNPYVPVHFDASV ; # _entity_src_gen.entity_id 17 _entity_src_gen.gene_src_common_name "Bos taurus" # _struct_ref.id 1 _struct_ref.entity_id 17 _struct_ref.db_name UniProt _struct_ref.db_code P61823 _struct_ref.details http://www.uniprot.org/uniprot/P61823 # _pdbx_contact_author.id 5 _pdbx_contact_author.name_first Darja _pdbx_contact_author.name_last Ruskule _pdbx_contact_author.role . _pdbx_contact_author.address_1 EMBL-Hamburg _pdbx_contact_author.address_2 "European Molecular Biology Laboratory (EMBL) - Hamburg outstation" _pdbx_contact_author.address_3 "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany" # loop_ _sas_scan_intensity.id _sas_scan_intensity.momentum_transfer _sas_scan_intensity.intensity _sas_scan_intensity.intensity_su_counting _sas_scan_intensity.scan_id 1 8.712520E-02 1.622150E+01 4.174520E+00 21 2 8.985920E-02 1.406910E+01 1.989200E+00 21 3 9.259320E-02 1.396160E+01 1.218530E+00 21 4 9.532730E-02 1.515980E+01 1.084110E+00 21 5 9.806130E-02 1.472010E+01 9.586270E-01 21 6 1.007950E-01 1.445660E+01 8.683490E-01 21 7 1.035290E-01 1.432380E+01 7.852080E-01 21 8 1.062630E-01 1.410360E+01 7.230730E-01 21 9 1.089980E-01 1.437250E+01 6.509320E-01 21 10 1.117320E-01 1.411650E+01 6.021210E-01 21 11 1.144660E-01 1.387480E+01 5.626530E-01 21 12 1.172000E-01 1.384910E+01 5.187020E-01 21 13 1.199340E-01 1.416420E+01 4.808620E-01 21 14 1.226680E-01 1.385820E+01 4.447510E-01 21 15 1.254020E-01 1.426440E+01 4.179170E-01 21 16 1.281360E-01 1.397420E+01 3.960520E-01 21 17 1.308700E-01 1.415900E+01 3.696520E-01 21 18 1.336040E-01 1.416290E+01 3.506920E-01 21 19 1.363380E-01 1.399650E+01 3.270290E-01 21 20 1.390720E-01 1.412840E+01 3.093480E-01 21 21 1.418060E-01 1.412590E+01 2.915730E-01 21 22 1.445400E-01 1.395510E+01 2.787010E-01 21 23 1.472740E-01 1.385890E+01 2.681140E-01 21 24 1.500080E-01 1.395430E+01 2.523220E-01 21 25 1.527420E-01 1.395670E+01 2.418600E-01 21 26 1.554760E-01 1.399100E+01 2.287940E-01 21 27 1.582100E-01 1.396890E+01 2.212400E-01 21 28 1.609440E-01 1.404570E+01 2.107140E-01 21 29 1.636780E-01 1.395110E+01 2.028320E-01 21 30 1.664120E-01 1.389030E+01 1.944620E-01 21 31 1.691460E-01 1.369310E+01 1.866380E-01 21 32 1.718810E-01 1.384230E+01 1.804780E-01 21 33 1.746150E-01 1.372320E+01 1.732630E-01 21 34 1.773490E-01 1.368760E+01 1.672120E-01 21 35 1.800830E-01 1.372100E+01 1.602710E-01 21 36 1.828170E-01 1.369210E+01 1.567960E-01 21 37 1.855510E-01 1.382710E+01 1.525460E-01 21 38 1.882850E-01 1.376360E+01 1.462050E-01 21 39 1.910190E-01 1.364440E+01 1.415050E-01 21 40 1.937530E-01 1.368690E+01 1.386710E-01 21 41 1.964870E-01 1.354230E+01 1.349670E-01 21 42 1.992210E-01 1.363180E+01 1.320600E-01 21 43 2.019550E-01 1.368960E+01 1.261570E-01 21 44 2.046890E-01 1.355760E+01 1.240690E-01 21 45 2.074230E-01 1.361090E+01 1.214120E-01 21 46 2.101570E-01 1.355620E+01 1.204530E-01 21 47 2.128910E-01 1.352020E+01 1.176080E-01 21 48 2.156250E-01 1.347250E+01 1.148550E-01 21 49 2.183590E-01 1.348290E+01 1.143050E-01 21 50 2.210930E-01 1.340840E+01 1.110060E-01 21 51 2.238270E-01 1.338160E+01 1.095200E-01 21 52 2.265610E-01 1.340400E+01 1.083150E-01 21 53 2.292950E-01 1.343590E+01 1.061380E-01 21 54 2.320290E-01 1.350260E+01 1.059450E-01 21 55 2.347640E-01 1.336840E+01 1.026820E-01 21 56 2.374980E-01 1.339800E+01 1.030330E-01 21 57 2.402320E-01 1.340180E+01 1.009030E-01 21 58 2.429660E-01 1.334510E+01 9.972340E-02 21 59 2.457000E-01 1.326350E+01 9.859950E-02 21 60 2.484340E-01 1.334900E+01 9.589060E-02 21 61 2.511680E-01 1.332460E+01 9.621160E-02 21 62 2.539020E-01 1.335320E+01 9.470420E-02 21 63 2.566360E-01 1.326470E+01 9.328250E-02 21 64 2.593700E-01 1.325170E+01 9.178450E-02 21 65 2.621040E-01 1.320550E+01 9.011450E-02 21 66 2.648380E-01 1.312890E+01 8.993510E-02 21 67 2.675720E-01 1.317600E+01 8.851170E-02 21 68 2.703060E-01 1.322740E+01 8.716440E-02 21 69 2.730400E-01 1.311780E+01 8.656360E-02 21 70 2.757740E-01 1.312360E+01 8.489340E-02 21 71 2.785080E-01 1.305070E+01 8.485780E-02 21 72 2.812420E-01 1.306130E+01 8.323560E-02 21 73 2.839760E-01 1.302960E+01 8.292680E-02 21 74 2.867100E-01 1.305480E+01 8.266350E-02 21 75 2.894440E-01 1.299850E+01 8.128040E-02 21 76 2.921780E-01 1.297070E+01 8.061170E-02 21 77 2.949120E-01 1.287680E+01 7.941080E-02 21 78 2.976470E-01 1.287760E+01 7.922050E-02 21 79 3.003810E-01 1.286790E+01 7.895710E-02 21 80 3.031150E-01 1.279580E+01 7.795710E-02 21 81 3.058490E-01 1.285760E+01 7.729290E-02 21 82 3.085830E-01 1.277590E+01 7.665010E-02 21 83 3.113170E-01 1.276520E+01 7.603620E-02 21 84 3.140510E-01 1.277190E+01 7.597640E-02 21 85 3.167850E-01 1.273330E+01 7.457430E-02 21 86 3.195190E-01 1.265750E+01 7.438560E-02 21 87 3.222530E-01 1.265230E+01 7.444700E-02 21 88 3.249870E-01 1.260990E+01 7.356210E-02 21 89 3.277210E-01 1.256320E+01 7.267640E-02 21 90 3.304550E-01 1.253360E+01 7.233410E-02 21 91 3.331890E-01 1.254630E+01 7.232920E-02 21 92 3.359230E-01 1.252730E+01 7.224700E-02 21 93 3.386570E-01 1.250420E+01 7.130870E-02 21 94 3.413910E-01 1.246210E+01 7.035290E-02 21 95 3.441250E-01 1.242960E+01 7.048600E-02 21 96 3.468590E-01 1.242030E+01 7.032560E-02 21 97 3.495930E-01 1.244310E+01 7.057170E-02 21 98 3.523270E-01 1.240640E+01 6.930060E-02 21 99 3.550610E-01 1.238150E+01 6.881460E-02 21 100 3.577950E-01 1.233670E+01 6.895710E-02 21 101 3.605300E-01 1.226650E+01 6.885470E-02 21 102 3.632640E-01 1.224510E+01 6.873570E-02 21 103 3.659980E-01 1.228940E+01 6.819350E-02 21 104 3.687320E-01 1.226600E+01 6.829040E-02 21 105 3.714660E-01 1.219440E+01 6.842240E-02 21 106 3.742000E-01 1.219570E+01 6.732340E-02 21 107 3.769340E-01 1.218140E+01 6.760490E-02 21 108 3.796680E-01 1.204480E+01 6.697700E-02 21 109 3.824020E-01 1.205110E+01 6.702760E-02 21 110 3.851360E-01 1.206850E+01 6.701400E-02 21 111 3.878700E-01 1.208400E+01 6.639920E-02 21 112 3.906040E-01 1.200800E+01 6.652110E-02 21 113 3.933380E-01 1.198080E+01 6.607150E-02 21 114 3.960720E-01 1.192730E+01 6.595420E-02 21 115 3.988060E-01 1.196880E+01 6.554380E-02 21 116 4.015400E-01 1.197710E+01 6.596480E-02 21 117 4.042740E-01 1.196590E+01 6.608220E-02 21 118 4.070080E-01 1.187170E+01 6.531030E-02 21 119 4.097420E-01 1.180340E+01 6.476480E-02 21 120 4.124760E-01 1.175940E+01 6.457310E-02 21 121 4.152100E-01 1.177080E+01 6.485910E-02 21 122 4.179440E-01 1.175960E+01 6.492960E-02 21 123 4.206780E-01 1.168390E+01 6.397660E-02 21 124 4.234130E-01 1.167200E+01 6.414390E-02 21 125 4.261470E-01 1.170670E+01 6.358370E-02 21 126 4.288810E-01 1.167350E+01 6.402580E-02 21 127 4.316150E-01 1.158360E+01 6.355990E-02 21 128 4.343490E-01 1.156460E+01 6.319500E-02 21 129 4.370830E-01 1.151100E+01 6.345100E-02 21 130 4.398170E-01 1.147030E+01 6.280240E-02 21 131 4.425510E-01 1.150080E+01 6.287090E-02 21 132 4.452850E-01 1.144950E+01 6.218630E-02 21 133 4.480190E-01 1.140110E+01 6.226180E-02 21 134 4.507530E-01 1.138140E+01 6.237220E-02 21 135 4.534870E-01 1.130800E+01 6.178540E-02 21 136 4.562210E-01 1.136960E+01 6.201630E-02 21 137 4.589550E-01 1.127400E+01 6.125470E-02 21 138 4.616890E-01 1.126870E+01 6.159210E-02 21 139 4.644230E-01 1.126640E+01 6.145930E-02 21 140 4.671570E-01 1.124980E+01 6.093790E-02 21 141 4.698910E-01 1.124370E+01 6.140320E-02 21 142 4.726250E-01 1.122280E+01 6.092790E-02 21 143 4.753590E-01 1.107230E+01 6.044020E-02 21 144 4.780930E-01 1.108600E+01 6.019970E-02 21 145 4.808270E-01 1.103550E+01 6.005330E-02 21 146 4.835610E-01 1.105380E+01 6.045330E-02 21 147 4.862960E-01 1.101080E+01 5.997960E-02 21 148 4.890300E-01 1.100480E+01 6.000560E-02 21 149 4.917640E-01 1.098760E+01 5.953030E-02 21 150 4.944980E-01 1.092290E+01 5.928270E-02 21 151 4.972320E-01 1.089540E+01 5.948300E-02 21 152 4.999660E-01 1.088140E+01 5.917820E-02 21 153 5.027000E-01 1.086100E+01 5.882090E-02 21 154 5.054340E-01 1.084970E+01 5.885220E-02 21 155 5.081680E-01 1.084910E+01 5.906610E-02 21 156 5.109020E-01 1.077020E+01 5.883260E-02 21 157 5.136360E-01 1.080800E+01 5.852500E-02 21 158 5.163700E-01 1.080290E+01 5.875040E-02 21 159 5.191040E-01 1.072920E+01 5.853490E-02 21 160 5.218380E-01 1.078400E+01 5.875180E-02 21 161 5.245720E-01 1.074770E+01 5.842490E-02 21 162 5.273060E-01 1.071960E+01 5.811140E-02 21 163 5.300400E-01 1.067710E+01 5.812750E-02 21 164 5.327740E-01 1.062380E+01 5.762940E-02 21 165 5.355080E-01 1.072500E+01 5.823740E-02 21 166 5.382420E-01 1.064940E+01 5.807890E-02 21 167 5.409760E-01 1.062490E+01 5.769610E-02 21 168 5.437100E-01 1.059650E+01 5.768140E-02 21 169 5.464450E-01 1.059260E+01 5.744940E-02 21 170 5.491790E-01 1.056990E+01 5.727770E-02 21 171 5.519130E-01 1.038480E+01 5.648950E-02 21 172 5.546470E-01 1.042530E+01 5.681530E-02 21 173 5.573810E-01 1.046560E+01 5.700990E-02 21 174 5.601150E-01 1.046430E+01 5.643400E-02 21 175 5.628490E-01 1.033620E+01 5.608100E-02 21 176 5.655830E-01 1.036350E+01 5.624050E-02 21 177 5.683170E-01 1.037150E+01 5.644660E-02 21 178 5.710510E-01 1.029930E+01 5.595470E-02 21 179 5.737850E-01 1.026350E+01 5.574430E-02 21 180 5.765190E-01 1.024020E+01 5.569640E-02 21 181 5.792530E-01 1.024370E+01 5.572800E-02 21 182 5.819870E-01 1.020020E+01 5.532110E-02 21 183 5.847210E-01 1.020550E+01 5.555510E-02 21 184 5.874550E-01 1.024110E+01 5.557660E-02 21 185 5.901890E-01 1.013260E+01 5.515100E-02 21 186 5.929230E-01 1.009910E+01 5.522260E-02 21 187 5.956570E-01 1.009440E+01 5.476030E-02 21 188 5.983910E-01 1.008160E+01 5.472290E-02 21 189 6.011250E-01 1.004680E+01 5.477850E-02 21 190 6.038590E-01 1.000780E+01 5.452950E-02 21 191 6.065930E-01 9.958200E+00 5.411830E-02 21 192 6.093280E-01 9.952060E+00 5.427490E-02 21 193 6.120620E-01 9.943280E+00 5.412510E-02 21 194 6.147960E-01 9.917260E+00 5.417190E-02 21 195 6.175300E-01 9.887800E+00 5.386220E-02 21 196 6.202640E-01 9.857230E+00 5.395060E-02 21 197 6.229980E-01 9.849520E+00 5.375040E-02 21 198 6.257320E-01 9.748500E+00 5.334460E-02 21 199 6.284660E-01 9.727010E+00 5.298180E-02 21 200 6.312000E-01 9.754930E+00 5.299560E-02 21 201 6.339340E-01 9.674870E+00 5.320000E-02 21 202 6.366680E-01 9.621980E+00 5.279640E-02 21 203 6.394020E-01 9.634800E+00 5.260670E-02 21 204 6.421360E-01 9.595230E+00 5.227870E-02 21 205 6.448700E-01 9.570570E+00 5.228390E-02 21 206 6.476040E-01 9.544280E+00 5.244220E-02 21 207 6.503380E-01 9.495050E+00 5.206470E-02 21 208 6.530720E-01 9.425310E+00 5.161450E-02 21 209 6.558060E-01 9.455200E+00 5.197570E-02 21 210 6.585400E-01 9.406470E+00 5.145120E-02 21 211 6.612740E-01 9.442560E+00 5.198580E-02 21 212 6.640080E-01 9.412350E+00 5.135180E-02 21 213 6.667420E-01 9.424100E+00 5.139310E-02 21 214 6.694760E-01 9.324960E+00 5.116600E-02 21 215 6.722110E-01 9.329050E+00 5.113240E-02 21 216 6.749450E-01 9.314380E+00 5.124520E-02 21 217 6.776790E-01 9.239720E+00 5.058290E-02 21 218 6.804130E-01 9.221030E+00 5.086880E-02 21 219 6.831470E-01 9.177090E+00 5.075290E-02 21 220 6.858810E-01 9.212260E+00 5.060890E-02 21 221 6.886150E-01 9.160230E+00 5.055750E-02 21 222 6.913490E-01 9.083400E+00 5.002750E-02 21 223 6.940830E-01 9.070620E+00 5.010660E-02 21 224 6.968170E-01 9.017100E+00 4.974410E-02 21 225 6.995510E-01 8.997650E+00 4.933790E-02 21 226 7.022850E-01 8.960770E+00 4.955560E-02 21 227 7.050190E-01 8.941920E+00 4.956740E-02 21 228 7.077530E-01 8.920170E+00 4.940640E-02 21 229 7.104870E-01 8.918390E+00 4.899910E-02 21 230 7.132210E-01 8.921810E+00 4.917120E-02 21 231 7.159550E-01 8.859240E+00 4.905150E-02 21 232 7.186890E-01 8.817380E+00 4.891660E-02 21 233 7.214230E-01 8.819190E+00 4.879510E-02 21 234 7.241570E-01 8.722280E+00 4.833080E-02 21 235 7.268910E-01 8.676950E+00 4.807450E-02 21 236 7.296250E-01 8.681780E+00 4.810930E-02 21 237 7.323590E-01 8.624770E+00 4.786990E-02 21 238 7.350940E-01 8.559610E+00 4.763810E-02 21 239 7.378280E-01 8.517390E+00 4.722930E-02 21 240 7.405620E-01 8.523890E+00 4.744980E-02 21 241 7.432960E-01 8.499840E+00 4.738220E-02 21 242 7.460300E-01 8.458750E+00 4.692870E-02 21 243 7.487640E-01 8.460960E+00 4.688410E-02 21 244 7.514980E-01 8.360770E+00 4.676600E-02 21 245 7.542320E-01 8.349570E+00 4.675040E-02 21 246 7.569660E-01 8.327550E+00 4.648150E-02 21 247 7.597000E-01 8.318180E+00 4.644920E-02 21 248 7.624340E-01 8.321020E+00 4.646670E-02 21 249 7.651680E-01 8.276900E+00 4.641540E-02 21 250 7.679020E-01 8.262310E+00 4.630540E-02 21 251 7.706360E-01 8.249530E+00 4.625240E-02 21 252 7.733700E-01 8.229610E+00 4.624810E-02 21 253 7.761040E-01 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1.091940E-02 21 1798 5.002940E+00 1.056390E-01 1.101800E-02 21 1799 5.005670E+00 1.076300E-01 1.100110E-02 21 1800 5.008400E+00 1.073360E-01 1.094420E-02 21 1801 5.011140E+00 1.086650E-01 1.097860E-02 21 1802 5.013870E+00 1.148070E-01 1.097350E-02 21 1803 5.016610E+00 1.201010E-01 1.097810E-02 21 1804 5.019340E+00 1.101010E-01 1.098500E-02 21 1805 5.022070E+00 1.092610E-01 1.097150E-02 21 1806 5.024810E+00 1.124470E-01 1.102150E-02 21 1807 5.027540E+00 1.154660E-01 1.098460E-02 21 1808 5.030280E+00 1.195610E-01 1.098190E-02 21 1809 5.033010E+00 1.067840E-01 1.099060E-02 21 1810 5.035740E+00 1.086440E-01 1.094540E-02 21 1811 5.038480E+00 1.108490E-01 1.097610E-02 21 1812 5.041210E+00 1.048950E-01 1.096400E-02 21 1813 5.043950E+00 1.147950E-01 1.099280E-02 21 1814 5.046680E+00 1.168520E-01 1.097370E-02 21 1815 5.049410E+00 1.133710E-01 1.097660E-02 21 1816 5.052150E+00 1.149770E-01 1.103020E-02 21 1817 5.054880E+00 1.230850E-01 1.097820E-02 21 1818 5.057620E+00 1.158790E-01 1.099590E-02 21 1819 5.060350E+00 1.125390E-01 1.098210E-02 21 1820 5.063080E+00 1.091770E-01 1.092480E-02 21 1821 5.065820E+00 1.189270E-01 1.102170E-02 21 1822 5.068550E+00 1.090640E-01 1.093780E-02 21 1823 5.071290E+00 1.121330E-01 1.102090E-02 21 1824 5.074020E+00 1.066570E-01 1.101440E-02 21 1825 5.076760E+00 1.105670E-01 1.104110E-02 21 1826 5.079490E+00 1.127680E-01 1.104910E-02 21 1827 5.082220E+00 1.047020E-01 1.100390E-02 21 1828 5.084960E+00 1.038700E-01 1.103920E-02 21 1829 5.087690E+00 1.111880E-01 1.096300E-02 21 1830 5.090430E+00 1.115690E-01 1.098780E-02 21 1831 5.093160E+00 1.149450E-01 1.094960E-02 21 1832 5.095890E+00 1.154140E-01 1.096310E-02 21 1833 5.098630E+00 1.042760E-01 1.098190E-02 21 1834 5.101360E+00 1.078130E-01 1.098550E-02 21 1835 5.104100E+00 1.166670E-01 1.099670E-02 21 1836 5.106830E+00 1.218630E-01 1.102810E-02 21 1837 5.109560E+00 1.103590E-01 1.101700E-02 21 1838 5.112300E+00 1.214560E-01 1.105110E-02 21 1839 5.115030E+00 1.253780E-01 1.097530E-02 21 1840 5.117770E+00 1.097380E-01 1.102040E-02 21 1841 5.120500E+00 1.158550E-01 1.099370E-02 21 1842 5.123230E+00 1.175880E-01 1.095150E-02 21 1843 5.125970E+00 1.107170E-01 1.099400E-02 21 1844 5.128700E+00 1.107190E-01 1.096340E-02 21 1845 5.131440E+00 1.103730E-01 1.099690E-02 21 1846 5.134170E+00 9.879940E-02 1.099450E-02 21 1847 5.136900E+00 1.094620E-01 1.099680E-02 21 1848 5.139640E+00 1.044450E-01 1.100600E-02 21 1849 5.142370E+00 1.101260E-01 1.089300E-02 21 1850 5.145110E+00 1.117490E-01 1.098830E-02 21 1851 5.147840E+00 1.125690E-01 1.099490E-02 21 1852 5.150570E+00 1.190790E-01 1.094500E-02 21 1853 5.153310E+00 1.187420E-01 1.101690E-02 21 1854 5.156040E+00 1.118330E-01 1.099780E-02 21 1855 5.158780E+00 1.076950E-01 1.102260E-02 21 1856 5.161510E+00 1.064650E-01 1.104810E-02 21 1857 5.164240E+00 1.055120E-01 1.099050E-02 21 1858 5.166980E+00 1.012040E-01 1.103570E-02 21 1859 5.169710E+00 1.049770E-01 1.098540E-02 21 1860 5.172450E+00 1.166230E-01 1.104050E-02 21 1861 5.175180E+00 1.101750E-01 1.103940E-02 21 1862 5.177910E+00 1.021190E-01 1.097430E-02 21 1863 5.180650E+00 1.103170E-01 1.101480E-02 21 1864 5.183380E+00 1.174640E-01 1.099320E-02 21 1865 5.186120E+00 1.143540E-01 1.103160E-02 21 1866 5.188850E+00 1.134370E-01 1.106220E-02 21 1867 5.191580E+00 1.047550E-01 1.099560E-02 21 1868 5.194320E+00 1.036030E-01 1.108880E-02 21 1869 5.197050E+00 9.696470E-02 1.111230E-02 21 1870 5.199790E+00 1.043080E-01 1.111970E-02 21 1871 5.202520E+00 1.043320E-01 1.104820E-02 21 1872 5.205260E+00 1.026570E-01 1.104640E-02 21 1873 5.207990E+00 1.097460E-01 1.104050E-02 21 1874 5.210720E+00 1.005080E-01 1.102010E-02 21 1875 5.213460E+00 1.055880E-01 1.109530E-02 21 1876 5.216190E+00 1.240350E-01 1.103630E-02 21 1877 5.218930E+00 1.191660E-01 1.108000E-02 21 1878 5.221660E+00 1.120640E-01 1.110260E-02 21 1879 5.224390E+00 1.061780E-01 1.104390E-02 21 1880 5.227130E+00 1.176500E-01 1.108940E-02 21 1881 5.229860E+00 1.121210E-01 1.104010E-02 21 1882 5.232600E+00 1.155670E-01 1.105960E-02 21 1883 5.235330E+00 1.043920E-01 1.105690E-02 21 1884 5.238060E+00 1.090520E-01 1.105030E-02 21 1885 5.240800E+00 1.140010E-01 1.114540E-02 21 1886 5.243530E+00 1.132230E-01 1.109970E-02 21 1887 5.246270E+00 1.143520E-01 1.113780E-02 21 1888 5.249000E+00 1.165100E-01 1.114840E-02 21 1889 5.251730E+00 1.080260E-01 1.106970E-02 21 1890 5.254470E+00 1.000860E-01 1.112500E-02 21 1891 5.257200E+00 1.164520E-01 1.109110E-02 21 1892 5.259940E+00 1.161760E-01 1.106680E-02 21 1893 5.262670E+00 1.121470E-01 1.109860E-02 21 1894 5.265400E+00 1.040930E-01 1.108400E-02 21 1895 5.268140E+00 1.049480E-01 1.108900E-02 21 1896 5.270870E+00 1.027750E-01 1.106010E-02 21 1897 5.273610E+00 1.044260E-01 1.108580E-02 21 1898 5.276340E+00 1.116240E-01 1.108610E-02 21 1899 5.279070E+00 1.082220E-01 1.104780E-02 21 1900 5.281810E+00 1.030510E-01 1.112590E-02 21 1901 5.284540E+00 1.045690E-01 1.117260E-02 21 1902 5.287280E+00 1.136640E-01 1.208780E-02 21 1903 5.290010E+00 1.205180E-01 1.271370E-02 21 1904 5.292740E+00 1.149050E-01 1.337960E-02 21 1905 5.295480E+00 1.105860E-01 1.416990E-02 21 1906 5.298210E+00 1.054970E-01 1.465130E-02 21 1907 5.300950E+00 1.050280E-01 1.518880E-02 21 1908 5.303680E+00 1.030040E-01 1.582920E-02 21 1909 5.306410E+00 1.040790E-01 1.634760E-02 21 1910 5.309150E+00 9.324910E-02 1.666900E-02 21 1911 5.311880E+00 1.034880E-01 1.352530E-02 21 1912 5.314620E+00 1.212510E-01 1.267800E-02 21 1913 5.317350E+00 1.092050E-01 1.217400E-02 21 1914 5.320080E+00 1.054570E-01 1.191920E-02 21 1915 5.322820E+00 1.130950E-01 1.185070E-02 21 1916 5.325550E+00 1.068540E-01 1.175030E-02 21 1917 5.328290E+00 1.135000E-01 1.179240E-02 21 1918 5.331020E+00 9.439340E-02 1.164570E-02 21 1919 5.333760E+00 1.057010E-01 1.169560E-02 21 1920 5.336490E+00 1.086590E-01 1.162690E-02 21 1921 5.339220E+00 1.027890E-01 1.157840E-02 21 1922 5.341960E+00 1.101500E-01 1.160790E-02 21 1923 5.344690E+00 1.173240E-01 1.145660E-02 21 1924 5.347430E+00 1.065000E-01 1.137420E-02 21 1925 5.350160E+00 1.128470E-01 1.131100E-02 21 1926 5.352890E+00 9.593470E-02 1.122210E-02 21 1927 5.355630E+00 9.735410E-02 1.123560E-02 21 1928 5.358360E+00 1.067710E-01 1.110830E-02 21 1929 5.361100E+00 1.146580E-01 1.115740E-02 21 1930 5.363830E+00 1.231110E-01 1.112490E-02 21 1931 5.366560E+00 1.215970E-01 1.101920E-02 21 1932 5.369300E+00 1.179010E-01 1.107890E-02 21 1933 5.372030E+00 1.116010E-01 1.106120E-02 21 1934 5.374770E+00 9.426910E-02 1.107860E-02 21 1935 5.377500E+00 1.040460E-01 1.106700E-02 21 1936 5.380230E+00 1.136000E-01 1.104100E-02 21 1937 5.382970E+00 1.148770E-01 1.113170E-02 21 1938 5.385700E+00 1.185430E-01 1.105510E-02 21 1939 5.388440E+00 1.067950E-01 1.104850E-02 21 1940 5.391170E+00 1.239410E-01 1.104970E-02 21 1941 5.393900E+00 1.187060E-01 1.103760E-02 21 1942 5.396640E+00 1.192650E-01 1.107960E-02 21 1943 5.399370E+00 1.170280E-01 1.103260E-02 21 1944 5.402110E+00 1.115860E-01 1.106800E-02 21 1945 5.404840E+00 1.123670E-01 1.109110E-02 21 1946 5.407570E+00 1.133610E-01 1.106190E-02 21 1947 5.410310E+00 1.153730E-01 1.108780E-02 21 1948 5.413040E+00 1.107570E-01 1.106110E-02 21 1949 5.415780E+00 1.155110E-01 1.109180E-02 21 1950 5.418510E+00 1.107560E-01 1.102830E-02 21 1951 5.421240E+00 1.129080E-01 1.096700E-02 21 1952 5.423980E+00 1.064400E-01 1.105760E-02 21 1953 5.426710E+00 1.151380E-01 1.108160E-02 21 1954 5.429450E+00 1.152880E-01 1.108830E-02 21 1955 5.432180E+00 1.062880E-01 1.111200E-02 21 1956 5.434910E+00 1.063490E-01 1.107120E-02 21 1957 5.437650E+00 1.153730E-01 1.105540E-02 21 1958 5.440380E+00 1.044040E-01 1.099770E-02 21 1959 5.443120E+00 1.025430E-01 1.106250E-02 21 1960 5.445850E+00 9.344240E-02 1.106900E-02 21 1961 5.448580E+00 9.968310E-02 1.106150E-02 21 1962 5.451320E+00 1.011220E-01 1.108890E-02 21 1963 5.454050E+00 1.059730E-01 1.104330E-02 21 1964 5.456790E+00 1.047740E-01 1.106890E-02 21 1965 5.459520E+00 9.101170E-02 1.099900E-02 21 1966 5.462260E+00 1.027610E-01 1.104740E-02 21 1967 5.464990E+00 1.017370E-01 1.103450E-02 21 1968 5.467720E+00 1.052240E-01 1.102950E-02 21 1969 5.470460E+00 1.043530E-01 1.101240E-02 21 1970 5.473190E+00 1.003080E-01 1.094230E-02 21 1971 5.475930E+00 1.038830E-01 1.101120E-02 21 1972 5.478660E+00 9.932010E-02 1.105120E-02 21 1973 5.481390E+00 9.645160E-02 1.104220E-02 21 1974 5.484130E+00 1.016930E-01 1.109300E-02 21 1975 5.486860E+00 1.069340E-01 1.100950E-02 21 1976 5.489600E+00 9.519920E-02 1.102830E-02 21 1977 5.492330E+00 1.051580E-01 1.104100E-02 21 1978 5.495060E+00 1.009910E-01 1.102800E-02 21 1979 5.497800E+00 1.124290E-01 1.105010E-02 21 1980 5.500530E+00 1.151820E-01 1.098470E-02 21 1981 5.503270E+00 1.083190E-01 1.105020E-02 21 1982 5.506000E+00 1.076540E-01 1.105740E-02 21 1983 5.508730E+00 1.061140E-01 1.101750E-02 21 1984 5.511470E+00 1.129490E-01 1.105200E-02 21 1985 5.514200E+00 1.009180E-01 1.099500E-02 21 1986 5.516940E+00 1.029430E-01 1.109470E-02 21 1987 5.519670E+00 1.055250E-01 1.108300E-02 21 1988 5.522400E+00 1.045160E-01 1.103930E-02 21 1989 5.525140E+00 1.101050E-01 1.119390E-02 21 1990 5.527870E+00 1.116790E-01 1.209020E-02 21 1991 5.530610E+00 1.072460E-01 1.280980E-02 21 1992 5.533340E+00 1.092820E-01 1.336120E-02 21 1993 5.536070E+00 1.061090E-01 1.211040E-02 21 1994 5.538810E+00 1.135000E-01 1.168750E-02 21 1995 5.541540E+00 1.111750E-01 1.143630E-02 21 1996 5.544280E+00 1.102290E-01 1.128480E-02 21 1997 5.547010E+00 1.050310E-01 1.128070E-02 21 1998 5.549740E+00 9.751180E-02 1.129190E-02 21 1999 5.552480E+00 9.240590E-02 1.124690E-02 21 2000 5.555210E+00 9.993740E-02 1.120370E-02 21 2001 5.557950E+00 1.067500E-01 1.119390E-02 21 2002 5.560680E+00 1.041730E-01 1.117920E-02 21 2003 5.563410E+00 1.110720E-01 1.119810E-02 21 2004 5.566150E+00 1.081450E-01 1.118720E-02 21 2005 5.568880E+00 1.134900E-01 1.117080E-02 21 2006 5.571620E+00 9.155310E-02 1.121360E-02 21 2007 5.574350E+00 9.495880E-02 1.122630E-02 21 2008 5.577090E+00 1.056320E-01 1.123860E-02 21 2009 5.579820E+00 1.082150E-01 1.118370E-02 21 2010 5.582550E+00 1.053340E-01 1.107810E-02 21 2011 5.585290E+00 9.851250E-02 1.102560E-02 21 2012 5.588020E+00 1.073410E-01 1.095660E-02 21 2013 5.590760E+00 1.156420E-01 1.101590E-02 21 2014 5.593490E+00 1.150490E-01 1.104520E-02 21 2015 5.596220E+00 1.109960E-01 1.100940E-02 21 2016 5.598960E+00 1.130320E-01 1.109460E-02 21 2017 5.601690E+00 1.098750E-01 1.102430E-02 21 2018 5.604430E+00 1.029870E-01 1.103360E-02 21 2019 5.607160E+00 1.064460E-01 1.104950E-02 21 2020 5.609890E+00 1.108880E-01 1.104810E-02 21 2021 5.612630E+00 1.042240E-01 1.109350E-02 21 2022 5.615360E+00 1.027920E-01 1.101140E-02 21 2023 5.618100E+00 1.012300E-01 1.106270E-02 21 2024 5.620830E+00 9.055960E-02 1.103490E-02 21 2025 5.623560E+00 9.609290E-02 1.095050E-02 21 2026 5.626300E+00 8.934200E-02 1.104790E-02 21 2027 5.629030E+00 1.004070E-01 1.098320E-02 21 2028 5.631770E+00 9.968920E-02 1.098680E-02 21 2029 5.634500E+00 1.048910E-01 1.103180E-02 21 2030 5.637230E+00 9.991510E-02 1.101150E-02 21 2031 5.639970E+00 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21 3349 1.705170E+01 2.053750E-02 3.142610E-02 21 3350 1.706090E+01 1.136040E-02 3.111840E-02 21 3351 1.707020E+01 2.285100E-03 3.159520E-02 21 3352 1.707940E+01 1.429860E-02 3.124750E-02 21 3353 1.708870E+01 1.415070E-02 3.159940E-02 21 3354 1.709790E+01 9.288010E-03 3.142130E-02 21 3355 1.710720E+01 2.063150E-03 3.194790E-02 21 3356 1.711640E+01 -9.259470E-03 3.110770E-02 21 3357 1.712570E+01 8.169220E-03 3.117520E-02 21 3358 1.713490E+01 1.106480E-02 3.130300E-02 21 3359 1.714420E+01 9.607380E-03 3.221520E-02 21 3360 1.715340E+01 1.332710E-02 3.198030E-02 21 3361 1.716270E+01 5.757600E-03 3.181180E-02 21 3362 1.717200E+01 8.649170E-03 3.231370E-02 21 3363 1.718120E+01 -6.780780E-03 3.208400E-02 21 3364 1.719050E+01 -1.926390E-03 3.238110E-02 21 3365 1.719970E+01 1.272890E-02 3.211270E-02 21 3366 1.720900E+01 5.167700E-03 3.254900E-02 21 3367 1.721820E+01 2.979090E-02 3.229610E-02 21 3368 1.722750E+01 3.085790E-02 3.275650E-02 21 3369 1.723670E+01 1.219800E-02 3.237930E-02 21 3370 1.724600E+01 -6.229660E-03 3.277930E-02 21 3371 1.725520E+01 6.401620E-04 3.265350E-02 21 3372 1.726450E+01 1.013590E-02 3.268100E-02 21 3373 1.727380E+01 1.769420E-02 3.308420E-02 21 3374 1.728300E+01 1.681960E-02 3.272300E-02 21 3375 1.729230E+01 7.234420E-03 3.317670E-02 21 3376 1.730150E+01 3.560850E-03 3.287130E-02 21 3377 1.731080E+01 -3.006100E-03 3.328890E-02 21 3378 1.732000E+01 1.588000E-02 3.317050E-02 21 3379 1.732930E+01 1.341400E-02 3.353030E-02 21 3380 1.733850E+01 -6.313130E-03 3.314220E-02 21 3381 1.734780E+01 4.833760E-03 3.365800E-02 21 3382 1.735700E+01 4.026770E-03 3.344690E-02 21 3383 1.736630E+01 6.696860E-03 3.383220E-02 21 3384 1.737550E+01 1.217470E-02 3.341690E-02 21 3385 1.738480E+01 1.736390E-02 3.341490E-02 21 3386 1.739410E+01 1.166150E-02 3.383740E-02 21 3387 1.740330E+01 5.861250E-03 3.351620E-02 21 3388 1.741260E+01 -1.418950E-02 3.400880E-02 21 3389 1.742180E+01 5.385820E-03 3.350160E-02 21 3390 1.743110E+01 1.253100E-02 3.408860E-02 21 3391 1.744030E+01 3.489150E-03 3.377020E-02 21 3392 1.744960E+01 -1.325550E-02 3.423340E-02 21 3393 1.745880E+01 -1.726050E-02 3.378660E-02 21 3394 1.746810E+01 1.311600E-04 3.428200E-02 21 3395 1.747730E+01 1.565450E-03 3.394120E-02 21 3396 1.748660E+01 1.570520E-02 3.434370E-02 21 3397 1.749580E+01 2.515160E-02 3.420390E-02 21 3398 1.750510E+01 -1.499580E-03 3.423640E-02 21 3399 1.751440E+01 6.319250E-03 3.458320E-02 21 3400 1.752360E+01 3.291640E-03 3.430000E-02 21 3401 1.753290E+01 -2.288660E-03 3.467720E-02 21 3402 1.754210E+01 6.968000E-03 3.433730E-02 21 3403 1.755140E+01 1.127540E-02 3.474610E-02 21 3404 1.756060E+01 -7.242960E-03 3.452070E-02 21 3405 1.756990E+01 -1.654180E-02 3.488960E-02 21 3406 1.757910E+01 -3.002370E-03 3.459240E-02 21 3407 1.758840E+01 -1.047180E-02 3.521780E-02 21 3408 1.759760E+01 2.171640E-02 3.497860E-02 21 3409 1.760690E+01 -1.133750E-02 3.500310E-02 21 3410 1.761620E+01 -1.147550E-03 3.535120E-02 21 3411 1.762540E+01 -1.934630E-02 3.505330E-02 21 3412 1.763470E+01 -3.182010E-03 3.559720E-02 21 3413 1.764390E+01 -2.806690E-03 3.513910E-02 21 3414 1.765320E+01 -4.836270E-04 3.617560E-02 21 3415 1.766240E+01 1.124530E-02 3.926500E-02 21 3416 1.767170E+01 3.142820E-03 4.196730E-02 21 3417 1.768090E+01 2.758850E-02 4.127830E-02 21 # _sas_p_of_R_details.id 21 _sas_p_of_R_details.intensity_id 21 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 801 _sas_p_of_R_details.qmin 0.6312 _sas_p_of_R_details.qmax 2.82117 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 801 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 5.0 # loop_ _sas_p_of_R.id _sas_p_of_R.ordinal _sas_p_of_R.r _sas_p_of_R.P _sas_p_of_R.P_error 21 1 0.000000E+00 0.000000E+00 0.000000E+00 21 2 1.961000E-02 3.156000E-03 2.715000E-05 21 3 3.922000E-02 6.464000E-03 5.245000E-05 21 4 5.882000E-02 9.922000E-03 7.590000E-05 21 5 7.843000E-02 1.353000E-02 9.751000E-05 21 6 9.804000E-02 1.729000E-02 1.173000E-04 21 7 1.176000E-01 2.119000E-02 1.353000E-04 21 8 1.373000E-01 2.525000E-02 1.515000E-04 21 9 1.569000E-01 2.945000E-02 1.659000E-04 21 10 1.765000E-01 3.379000E-02 1.786000E-04 21 11 1.961000E-01 3.827000E-02 1.896000E-04 21 12 2.157000E-01 4.290000E-02 1.990000E-04 21 13 2.353000E-01 4.766000E-02 2.067000E-04 21 14 2.549000E-01 5.256000E-02 2.128000E-04 21 15 2.745000E-01 5.759000E-02 2.174000E-04 21 16 2.941000E-01 6.274000E-02 2.205000E-04 21 17 3.137000E-01 6.803000E-02 2.222000E-04 21 18 3.333000E-01 7.344000E-02 2.225000E-04 21 19 3.529000E-01 7.896000E-02 2.215000E-04 21 20 3.725000E-01 8.461000E-02 2.193000E-04 21 21 3.922000E-01 9.036000E-02 2.158000E-04 21 22 4.118000E-01 9.622000E-02 2.113000E-04 21 23 4.314000E-01 1.022000E-01 2.058000E-04 21 24 4.510000E-01 1.083000E-01 1.993000E-04 21 25 4.706000E-01 1.144000E-01 1.920000E-04 21 26 4.902000E-01 1.207000E-01 1.841000E-04 21 27 5.098000E-01 1.270000E-01 1.756000E-04 21 28 5.294000E-01 1.334000E-01 1.666000E-04 21 29 5.490000E-01 1.399000E-01 1.575000E-04 21 30 5.686000E-01 1.464000E-01 1.483000E-04 21 31 5.882000E-01 1.531000E-01 1.394000E-04 21 32 6.078000E-01 1.597000E-01 1.310000E-04 21 33 6.275000E-01 1.665000E-01 1.235000E-04 21 34 6.471000E-01 1.733000E-01 1.174000E-04 21 35 6.667000E-01 1.801000E-01 1.130000E-04 21 36 6.863000E-01 1.869000E-01 1.108000E-04 21 37 7.059000E-01 1.938000E-01 1.111000E-04 21 38 7.255000E-01 2.007000E-01 1.138000E-04 21 39 7.451000E-01 2.077000E-01 1.190000E-04 21 40 7.647000E-01 2.146000E-01 1.262000E-04 21 41 7.843000E-01 2.216000E-01 1.353000E-04 21 42 8.039000E-01 2.285000E-01 1.458000E-04 21 43 8.235000E-01 2.355000E-01 1.574000E-04 21 44 8.431000E-01 2.424000E-01 1.697000E-04 21 45 8.627000E-01 2.493000E-01 1.826000E-04 21 46 8.824000E-01 2.562000E-01 1.958000E-04 21 47 9.020000E-01 2.630000E-01 2.091000E-04 21 48 9.216000E-01 2.699000E-01 2.224000E-04 21 49 9.412000E-01 2.766000E-01 2.355000E-04 21 50 9.608000E-01 2.834000E-01 2.485000E-04 21 51 9.804000E-01 2.900000E-01 2.611000E-04 21 52 1.000000E+00 2.966000E-01 2.733000E-04 21 53 1.020000E+00 3.032000E-01 2.850000E-04 21 54 1.039000E+00 3.096000E-01 2.962000E-04 21 55 1.059000E+00 3.160000E-01 3.069000E-04 21 56 1.078000E+00 3.223000E-01 3.169000E-04 21 57 1.098000E+00 3.286000E-01 3.262000E-04 21 58 1.118000E+00 3.347000E-01 3.348000E-04 21 59 1.137000E+00 3.407000E-01 3.427000E-04 21 60 1.157000E+00 3.466000E-01 3.498000E-04 21 61 1.176000E+00 3.524000E-01 3.562000E-04 21 62 1.196000E+00 3.581000E-01 3.617000E-04 21 63 1.216000E+00 3.637000E-01 3.664000E-04 21 64 1.235000E+00 3.691000E-01 3.704000E-04 21 65 1.255000E+00 3.744000E-01 3.735000E-04 21 66 1.275000E+00 3.796000E-01 3.758000E-04 21 67 1.294000E+00 3.846000E-01 3.773000E-04 21 68 1.314000E+00 3.895000E-01 3.780000E-04 21 69 1.333000E+00 3.943000E-01 3.779000E-04 21 70 1.353000E+00 3.989000E-01 3.771000E-04 21 71 1.373000E+00 4.033000E-01 3.755000E-04 21 72 1.392000E+00 4.076000E-01 3.732000E-04 21 73 1.412000E+00 4.117000E-01 3.703000E-04 21 74 1.431000E+00 4.157000E-01 3.668000E-04 21 75 1.451000E+00 4.194000E-01 3.627000E-04 21 76 1.471000E+00 4.231000E-01 3.580000E-04 21 77 1.490000E+00 4.265000E-01 3.530000E-04 21 78 1.510000E+00 4.298000E-01 3.475000E-04 21 79 1.529000E+00 4.328000E-01 3.417000E-04 21 80 1.549000E+00 4.357000E-01 3.357000E-04 21 81 1.569000E+00 4.385000E-01 3.296000E-04 21 82 1.588000E+00 4.410000E-01 3.234000E-04 21 83 1.608000E+00 4.434000E-01 3.173000E-04 21 84 1.627000E+00 4.455000E-01 3.114000E-04 21 85 1.647000E+00 4.475000E-01 3.057000E-04 21 86 1.667000E+00 4.493000E-01 3.004000E-04 21 87 1.686000E+00 4.509000E-01 2.957000E-04 21 88 1.706000E+00 4.523000E-01 2.915000E-04 21 89 1.725000E+00 4.535000E-01 2.881000E-04 21 90 1.745000E+00 4.546000E-01 2.856000E-04 21 91 1.765000E+00 4.554000E-01 2.840000E-04 21 92 1.784000E+00 4.560000E-01 2.834000E-04 21 93 1.804000E+00 4.565000E-01 2.839000E-04 21 94 1.824000E+00 4.568000E-01 2.854000E-04 21 95 1.843000E+00 4.569000E-01 2.880000E-04 21 96 1.863000E+00 4.568000E-01 2.917000E-04 21 97 1.882000E+00 4.565000E-01 2.964000E-04 21 98 1.902000E+00 4.560000E-01 3.020000E-04 21 99 1.922000E+00 4.554000E-01 3.085000E-04 21 100 1.941000E+00 4.545000E-01 3.158000E-04 21 101 1.961000E+00 4.535000E-01 3.238000E-04 21 102 1.980000E+00 4.523000E-01 3.323000E-04 21 103 2.000000E+00 4.510000E-01 3.413000E-04 21 104 2.020000E+00 4.494000E-01 3.507000E-04 21 105 2.039000E+00 4.477000E-01 3.604000E-04 21 106 2.059000E+00 4.459000E-01 3.702000E-04 21 107 2.078000E+00 4.438000E-01 3.801000E-04 21 108 2.098000E+00 4.416000E-01 3.901000E-04 21 109 2.118000E+00 4.393000E-01 3.999000E-04 21 110 2.137000E+00 4.368000E-01 4.096000E-04 21 111 2.157000E+00 4.341000E-01 4.191000E-04 21 112 2.176000E+00 4.313000E-01 4.283000E-04 21 113 2.196000E+00 4.284000E-01 4.372000E-04 21 114 2.216000E+00 4.253000E-01 4.458000E-04 21 115 2.235000E+00 4.221000E-01 4.539000E-04 21 116 2.255000E+00 4.187000E-01 4.616000E-04 21 117 2.275000E+00 4.153000E-01 4.687000E-04 21 118 2.294000E+00 4.117000E-01 4.754000E-04 21 119 2.314000E+00 4.079000E-01 4.816000E-04 21 120 2.333000E+00 4.041000E-01 4.872000E-04 21 121 2.353000E+00 4.002000E-01 4.923000E-04 21 122 2.373000E+00 3.961000E-01 4.968000E-04 21 123 2.392000E+00 3.920000E-01 5.007000E-04 21 124 2.412000E+00 3.877000E-01 5.041000E-04 21 125 2.431000E+00 3.834000E-01 5.069000E-04 21 126 2.451000E+00 3.789000E-01 5.092000E-04 21 127 2.471000E+00 3.744000E-01 5.110000E-04 21 128 2.490000E+00 3.698000E-01 5.123000E-04 21 129 2.510000E+00 3.651000E-01 5.131000E-04 21 130 2.529000E+00 3.604000E-01 5.135000E-04 21 131 2.549000E+00 3.556000E-01 5.134000E-04 21 132 2.569000E+00 3.507000E-01 5.130000E-04 21 133 2.588000E+00 3.458000E-01 5.123000E-04 21 134 2.608000E+00 3.408000E-01 5.112000E-04 21 135 2.627000E+00 3.358000E-01 5.100000E-04 21 136 2.647000E+00 3.307000E-01 5.085000E-04 21 137 2.667000E+00 3.256000E-01 5.069000E-04 21 138 2.686000E+00 3.205000E-01 5.052000E-04 21 139 2.706000E+00 3.153000E-01 5.035000E-04 21 140 2.725000E+00 3.101000E-01 5.019000E-04 21 141 2.745000E+00 3.049000E-01 5.003000E-04 21 142 2.765000E+00 2.997000E-01 4.989000E-04 21 143 2.784000E+00 2.945000E-01 4.977000E-04 21 144 2.804000E+00 2.892000E-01 4.967000E-04 21 145 2.824000E+00 2.840000E-01 4.961000E-04 21 146 2.843000E+00 2.788000E-01 4.958000E-04 21 147 2.863000E+00 2.735000E-01 4.959000E-04 21 148 2.882000E+00 2.683000E-01 4.964000E-04 21 149 2.902000E+00 2.631000E-01 4.974000E-04 21 150 2.922000E+00 2.579000E-01 4.989000E-04 21 151 2.941000E+00 2.527000E-01 5.008000E-04 21 152 2.961000E+00 2.476000E-01 5.033000E-04 21 153 2.980000E+00 2.425000E-01 5.062000E-04 21 154 3.000000E+00 2.374000E-01 5.096000E-04 21 155 3.020000E+00 2.323000E-01 5.135000E-04 21 156 3.039000E+00 2.273000E-01 5.178000E-04 21 157 3.059000E+00 2.224000E-01 5.225000E-04 21 158 3.078000E+00 2.174000E-01 5.276000E-04 21 159 3.098000E+00 2.126000E-01 5.331000E-04 21 160 3.118000E+00 2.077000E-01 5.388000E-04 21 161 3.137000E+00 2.030000E-01 5.448000E-04 21 162 3.157000E+00 1.982000E-01 5.509000E-04 21 163 3.176000E+00 1.936000E-01 5.573000E-04 21 164 3.196000E+00 1.890000E-01 5.637000E-04 21 165 3.216000E+00 1.844000E-01 5.702000E-04 21 166 3.235000E+00 1.800000E-01 5.766000E-04 21 167 3.255000E+00 1.755000E-01 5.830000E-04 21 168 3.275000E+00 1.712000E-01 5.894000E-04 21 169 3.294000E+00 1.669000E-01 5.955000E-04 21 170 3.314000E+00 1.627000E-01 6.016000E-04 21 171 3.333000E+00 1.586000E-01 6.074000E-04 21 172 3.353000E+00 1.545000E-01 6.129000E-04 21 173 3.373000E+00 1.505000E-01 6.182000E-04 21 174 3.392000E+00 1.466000E-01 6.232000E-04 21 175 3.412000E+00 1.428000E-01 6.278000E-04 21 176 3.431000E+00 1.391000E-01 6.322000E-04 21 177 3.451000E+00 1.354000E-01 6.361000E-04 21 178 3.471000E+00 1.318000E-01 6.397000E-04 21 179 3.490000E+00 1.283000E-01 6.430000E-04 21 180 3.510000E+00 1.248000E-01 6.459000E-04 21 181 3.529000E+00 1.215000E-01 6.484000E-04 21 182 3.549000E+00 1.182000E-01 6.506000E-04 21 183 3.569000E+00 1.150000E-01 6.525000E-04 21 184 3.588000E+00 1.119000E-01 6.540000E-04 21 185 3.608000E+00 1.089000E-01 6.553000E-04 21 186 3.627000E+00 1.059000E-01 6.563000E-04 21 187 3.647000E+00 1.030000E-01 6.571000E-04 21 188 3.667000E+00 1.002000E-01 6.576000E-04 21 189 3.686000E+00 9.749000E-02 6.581000E-04 21 190 3.706000E+00 9.484000E-02 6.583000E-04 21 191 3.725000E+00 9.226000E-02 6.586000E-04 21 192 3.745000E+00 8.976000E-02 6.587000E-04 21 193 3.765000E+00 8.734000E-02 6.589000E-04 21 194 3.784000E+00 8.498000E-02 6.592000E-04 21 195 3.804000E+00 8.270000E-02 6.595000E-04 21 196 3.824000E+00 8.049000E-02 6.600000E-04 21 197 3.843000E+00 7.835000E-02 6.607000E-04 21 198 3.863000E+00 7.627000E-02 6.616000E-04 21 199 3.882000E+00 7.426000E-02 6.627000E-04 21 200 3.902000E+00 7.231000E-02 6.642000E-04 21 201 3.922000E+00 7.042000E-02 6.659000E-04 21 202 3.941000E+00 6.860000E-02 6.680000E-04 21 203 3.961000E+00 6.683000E-02 6.705000E-04 21 204 3.980000E+00 6.512000E-02 6.733000E-04 21 205 4.000000E+00 6.347000E-02 6.765000E-04 21 206 4.020000E+00 6.186000E-02 6.800000E-04 21 207 4.039000E+00 6.031000E-02 6.839000E-04 21 208 4.059000E+00 5.881000E-02 6.881000E-04 21 209 4.078000E+00 5.735000E-02 6.925000E-04 21 210 4.098000E+00 5.594000E-02 6.972000E-04 21 211 4.118000E+00 5.457000E-02 7.022000E-04 21 212 4.137000E+00 5.324000E-02 7.072000E-04 21 213 4.157000E+00 5.194000E-02 7.124000E-04 21 214 4.176000E+00 5.068000E-02 7.176000E-04 21 215 4.196000E+00 4.946000E-02 7.228000E-04 21 216 4.216000E+00 4.827000E-02 7.278000E-04 21 217 4.235000E+00 4.710000E-02 7.327000E-04 21 218 4.255000E+00 4.596000E-02 7.373000E-04 21 219 4.275000E+00 4.484000E-02 7.416000E-04 21 220 4.294000E+00 4.375000E-02 7.455000E-04 21 221 4.314000E+00 4.267000E-02 7.489000E-04 21 222 4.333000E+00 4.162000E-02 7.517000E-04 21 223 4.353000E+00 4.057000E-02 7.538000E-04 21 224 4.373000E+00 3.954000E-02 7.552000E-04 21 225 4.392000E+00 3.852000E-02 7.557000E-04 21 226 4.412000E+00 3.750000E-02 7.553000E-04 21 227 4.431000E+00 3.649000E-02 7.540000E-04 21 228 4.451000E+00 3.548000E-02 7.515000E-04 21 229 4.471000E+00 3.447000E-02 7.479000E-04 21 230 4.490000E+00 3.346000E-02 7.431000E-04 21 231 4.510000E+00 3.245000E-02 7.370000E-04 21 232 4.529000E+00 3.143000E-02 7.295000E-04 21 233 4.549000E+00 3.040000E-02 7.206000E-04 21 234 4.569000E+00 2.936000E-02 7.101000E-04 21 235 4.588000E+00 2.831000E-02 6.981000E-04 21 236 4.608000E+00 2.724000E-02 6.844000E-04 21 237 4.627000E+00 2.616000E-02 6.691000E-04 21 238 4.647000E+00 2.505000E-02 6.520000E-04 21 239 4.667000E+00 2.393000E-02 6.331000E-04 21 240 4.686000E+00 2.278000E-02 6.124000E-04 21 241 4.706000E+00 2.161000E-02 5.897000E-04 21 242 4.725000E+00 2.041000E-02 5.652000E-04 21 243 4.745000E+00 1.919000E-02 5.386000E-04 21 244 4.765000E+00 1.793000E-02 5.100000E-04 21 245 4.784000E+00 1.665000E-02 4.794000E-04 21 246 4.804000E+00 1.533000E-02 4.467000E-04 21 247 4.824000E+00 1.397000E-02 4.118000E-04 21 248 4.843000E+00 1.258000E-02 3.749000E-04 21 249 4.863000E+00 1.115000E-02 3.357000E-04 21 250 4.882000E+00 9.687000E-03 2.944000E-04 21 251 4.902000E+00 8.180000E-03 2.509000E-04 21 252 4.922000E+00 6.631000E-03 2.052000E-04 21 253 4.941000E+00 5.040000E-03 1.572000E-04 21 254 4.961000E+00 3.405000E-03 1.071000E-04 21 255 4.980000E+00 1.725000E-03 5.464000E-05 21 256 5.000000E+00 0.000000E+00 0.000000E+00 # loop_ _sas_p_of_R_extrapolated_intensity.id _sas_p_of_R_extrapolated_intensity.ordinal _sas_p_of_R_extrapolated_intensity.momentum_transfer _sas_p_of_R_extrapolated_intensity.intensity_reg 21 1 0.000000E+00 1.343110E+01 21 2 2.254290E-02 1.342530E+01 21 3 4.508570E-02 1.340800E+01 21 4 6.762860E-02 1.337920E+01 21 5 9.017140E-02 1.333900E+01 21 6 1.127140E-01 1.328750E+01 21 7 1.352570E-01 1.322480E+01 21 8 1.578000E-01 1.315110E+01 21 9 1.803430E-01 1.306660E+01 21 10 2.028860E-01 1.297150E+01 21 11 2.254290E-01 1.286610E+01 21 12 2.479710E-01 1.275060E+01 21 13 2.705140E-01 1.262530E+01 21 14 2.930570E-01 1.249060E+01 21 15 3.156000E-01 1.234670E+01 21 16 3.381430E-01 1.219410E+01 21 17 3.606860E-01 1.203310E+01 21 18 3.832290E-01 1.186420E+01 21 19 4.057710E-01 1.168770E+01 21 20 4.283140E-01 1.150400E+01 21 21 4.508570E-01 1.131370E+01 21 22 4.734000E-01 1.111710E+01 21 23 4.959430E-01 1.091470E+01 21 24 5.184860E-01 1.070700E+01 21 25 5.410290E-01 1.049450E+01 21 26 5.635710E-01 1.027750E+01 21 27 5.861140E-01 1.005670E+01 21 28 6.086570E-01 9.832490E+00 21 29 6.312000E-01 9.605310E+00 21 30 6.339340E-01 9.577580E+00 21 31 6.366680E-01 9.549820E+00 21 32 6.394020E-01 9.522020E+00 21 33 6.421360E-01 9.494180E+00 21 34 6.448700E-01 9.466310E+00 21 35 6.476040E-01 9.438410E+00 21 36 6.503380E-01 9.410480E+00 21 37 6.530720E-01 9.382520E+00 21 38 6.558060E-01 9.354530E+00 21 39 6.585400E-01 9.326510E+00 21 40 6.612740E-01 9.298460E+00 21 41 6.640080E-01 9.270390E+00 21 42 6.667420E-01 9.242290E+00 21 43 6.694760E-01 9.214160E+00 21 44 6.722110E-01 9.186000E+00 21 45 6.749450E-01 9.157820E+00 21 46 6.776790E-01 9.129620E+00 21 47 6.804130E-01 9.101400E+00 21 48 6.831470E-01 9.073160E+00 21 49 6.858810E-01 9.044890E+00 21 50 6.886150E-01 9.016610E+00 21 51 6.913490E-01 8.988310E+00 21 52 6.940830E-01 8.959990E+00 21 53 6.968170E-01 8.931650E+00 21 54 6.995510E-01 8.903290E+00 21 55 7.022850E-01 8.874920E+00 21 56 7.050190E-01 8.846530E+00 21 57 7.077530E-01 8.818130E+00 21 58 7.104870E-01 8.789720E+00 21 59 7.132210E-01 8.761290E+00 21 60 7.159550E-01 8.732860E+00 21 61 7.186890E-01 8.704410E+00 21 62 7.214230E-01 8.675950E+00 21 63 7.241570E-01 8.647480E+00 21 64 7.268910E-01 8.619000E+00 21 65 7.296250E-01 8.590510E+00 21 66 7.323590E-01 8.562020E+00 21 67 7.350940E-01 8.533510E+00 21 68 7.378280E-01 8.505010E+00 21 69 7.405620E-01 8.476500E+00 21 70 7.432960E-01 8.447980E+00 21 71 7.460300E-01 8.419460E+00 21 72 7.487640E-01 8.390940E+00 21 73 7.514980E-01 8.362420E+00 21 74 7.542320E-01 8.333900E+00 21 75 7.569660E-01 8.305380E+00 21 76 7.597000E-01 8.276850E+00 21 77 7.624340E-01 8.248330E+00 21 78 7.651680E-01 8.219810E+00 21 79 7.679020E-01 8.191300E+00 21 80 7.706360E-01 8.162780E+00 21 81 7.733700E-01 8.134270E+00 21 82 7.761040E-01 8.105770E+00 21 83 7.788380E-01 8.077270E+00 21 84 7.815720E-01 8.048780E+00 21 85 7.843060E-01 8.020290E+00 21 86 7.870400E-01 7.991810E+00 21 87 7.897740E-01 7.963340E+00 21 88 7.925080E-01 7.934880E+00 21 89 7.952420E-01 7.906430E+00 21 90 7.979770E-01 7.877980E+00 21 91 8.007110E-01 7.849550E+00 21 92 8.034450E-01 7.821140E+00 21 93 8.061790E-01 7.792730E+00 21 94 8.089130E-01 7.764340E+00 21 95 8.116470E-01 7.735970E+00 21 96 8.143810E-01 7.707610E+00 21 97 8.171150E-01 7.679260E+00 21 98 8.198490E-01 7.650930E+00 21 99 8.225830E-01 7.622620E+00 21 100 8.253170E-01 7.594320E+00 21 101 8.280510E-01 7.566050E+00 21 102 8.307850E-01 7.537790E+00 21 103 8.335190E-01 7.509550E+00 21 104 8.362530E-01 7.481330E+00 21 105 8.389870E-01 7.453140E+00 21 106 8.417210E-01 7.424960E+00 21 107 8.444550E-01 7.396810E+00 21 108 8.471890E-01 7.368680E+00 21 109 8.499230E-01 7.340570E+00 21 110 8.526570E-01 7.312490E+00 21 111 8.553910E-01 7.284430E+00 21 112 8.581250E-01 7.256400E+00 21 113 8.608600E-01 7.228380E+00 21 114 8.635940E-01 7.200400E+00 21 115 8.663280E-01 7.172450E+00 21 116 8.690620E-01 7.144520E+00 21 117 8.717960E-01 7.116620E+00 21 118 8.745300E-01 7.088760E+00 21 119 8.772640E-01 7.060920E+00 21 120 8.799980E-01 7.033110E+00 21 121 8.827320E-01 7.005340E+00 21 122 8.854660E-01 6.977590E+00 21 123 8.882000E-01 6.949880E+00 21 124 8.909340E-01 6.922200E+00 21 125 8.936680E-01 6.894550E+00 21 126 8.964020E-01 6.866940E+00 21 127 8.991360E-01 6.839360E+00 21 128 9.018700E-01 6.811820E+00 21 129 9.046040E-01 6.784310E+00 21 130 9.073380E-01 6.756840E+00 21 131 9.100720E-01 6.729410E+00 21 132 9.128060E-01 6.702010E+00 21 133 9.155400E-01 6.674650E+00 21 134 9.182740E-01 6.647330E+00 21 135 9.210090E-01 6.620040E+00 21 136 9.237430E-01 6.592800E+00 21 137 9.264770E-01 6.565590E+00 21 138 9.292110E-01 6.538430E+00 21 139 9.319450E-01 6.511310E+00 21 140 9.346790E-01 6.484230E+00 21 141 9.374130E-01 6.457200E+00 21 142 9.401470E-01 6.430200E+00 21 143 9.428810E-01 6.403250E+00 21 144 9.456150E-01 6.376340E+00 21 145 9.483490E-01 6.349480E+00 21 146 9.510830E-01 6.322660E+00 21 147 9.538170E-01 6.295890E+00 21 148 9.565510E-01 6.269160E+00 21 149 9.592850E-01 6.242480E+00 21 150 9.620190E-01 6.215850E+00 21 151 9.647530E-01 6.189260E+00 21 152 9.674870E-01 6.162720E+00 21 153 9.702210E-01 6.136230E+00 21 154 9.729550E-01 6.109790E+00 21 155 9.756890E-01 6.083390E+00 21 156 9.784230E-01 6.057050E+00 21 157 9.811570E-01 6.030750E+00 21 158 9.838920E-01 6.004500E+00 21 159 9.866260E-01 5.978310E+00 21 160 9.893600E-01 5.952160E+00 21 161 9.920940E-01 5.926070E+00 21 162 9.948280E-01 5.900040E+00 21 163 9.975620E-01 5.874050E+00 21 164 1.000300E+00 5.848080E+00 21 165 1.003030E+00 5.822240E+00 21 166 1.005760E+00 5.796450E+00 21 167 1.008500E+00 5.770630E+00 21 168 1.011230E+00 5.744950E+00 21 169 1.013970E+00 5.719230E+00 21 170 1.016700E+00 5.693660E+00 21 171 1.019430E+00 5.668150E+00 21 172 1.022170E+00 5.642600E+00 21 173 1.024900E+00 5.617200E+00 21 174 1.027640E+00 5.591760E+00 21 175 1.030370E+00 5.566480E+00 21 176 1.033100E+00 5.541250E+00 21 177 1.035840E+00 5.515990E+00 21 178 1.038570E+00 5.490880E+00 21 179 1.041310E+00 5.465740E+00 21 180 1.044040E+00 5.440740E+00 21 181 1.046770E+00 5.415810E+00 21 182 1.049510E+00 5.390850E+00 21 183 1.052240E+00 5.366030E+00 21 184 1.054980E+00 5.341190E+00 21 185 1.057710E+00 5.316500E+00 21 186 1.060440E+00 5.291870E+00 21 187 1.063180E+00 5.267210E+00 21 188 1.065910E+00 5.242700E+00 21 189 1.068650E+00 5.218170E+00 21 190 1.071380E+00 5.193780E+00 21 191 1.074110E+00 5.169460E+00 21 192 1.076850E+00 5.145120E+00 21 193 1.079580E+00 5.120920E+00 21 194 1.082320E+00 5.096710E+00 21 195 1.085050E+00 5.072640E+00 21 196 1.087790E+00 5.048550E+00 21 197 1.090520E+00 5.024620E+00 21 198 1.093250E+00 5.000750E+00 21 199 1.095990E+00 4.976850E+00 21 200 1.098720E+00 4.953110E+00 21 201 1.101460E+00 4.929350E+00 21 202 1.104190E+00 4.905740E+00 21 203 1.106920E+00 4.882200E+00 21 204 1.109660E+00 4.858630E+00 21 205 1.112390E+00 4.835220E+00 21 206 1.115130E+00 4.811800E+00 21 207 1.117860E+00 4.788520E+00 21 208 1.120590E+00 4.765310E+00 21 209 1.123330E+00 4.742090E+00 21 210 1.126060E+00 4.719010E+00 21 211 1.128800E+00 4.695930E+00 21 212 1.131530E+00 4.672990E+00 21 213 1.134260E+00 4.650120E+00 21 214 1.137000E+00 4.627240E+00 21 215 1.139730E+00 4.604510E+00 21 216 1.142470E+00 4.581770E+00 21 217 1.145200E+00 4.559180E+00 21 218 1.147930E+00 4.536660E+00 21 219 1.150670E+00 4.514120E+00 21 220 1.153400E+00 4.491740E+00 21 221 1.156140E+00 4.469350E+00 21 222 1.158870E+00 4.447110E+00 21 223 1.161600E+00 4.424940E+00 21 224 1.164340E+00 4.402750E+00 21 225 1.167070E+00 4.380730E+00 21 226 1.169810E+00 4.358690E+00 21 227 1.172540E+00 4.336800E+00 21 228 1.175270E+00 4.314990E+00 21 229 1.178010E+00 4.293160E+00 21 230 1.180740E+00 4.271490E+00 21 231 1.183480E+00 4.249810E+00 21 232 1.186210E+00 4.228280E+00 21 233 1.188940E+00 4.206830E+00 21 234 1.191680E+00 4.185370E+00 21 235 1.194410E+00 4.164060E+00 21 236 1.197150E+00 4.142740E+00 21 237 1.199880E+00 4.121570E+00 21 238 1.202620E+00 4.100400E+00 21 239 1.205350E+00 4.079380E+00 21 240 1.208080E+00 4.058430E+00 21 241 1.210820E+00 4.037480E+00 21 242 1.213550E+00 4.016680E+00 21 243 1.216290E+00 3.995880E+00 21 244 1.219020E+00 3.975230E+00 21 245 1.221750E+00 3.954640E+00 21 246 1.224490E+00 3.934060E+00 21 247 1.227220E+00 3.913630E+00 21 248 1.229960E+00 3.893190E+00 21 249 1.232690E+00 3.872910E+00 21 250 1.238160E+00 3.832490E+00 21 251 1.240890E+00 3.812420E+00 21 252 1.243630E+00 3.792360E+00 21 253 1.246360E+00 3.772440E+00 21 254 1.249090E+00 3.752600E+00 21 255 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2.482150E+00 3.240550E-01 21 706 2.484880E+00 3.229310E-01 21 707 2.487620E+00 3.218120E-01 21 708 2.490350E+00 3.207070E-01 21 709 2.493080E+00 3.196110E-01 21 710 2.495820E+00 3.185200E-01 21 711 2.498550E+00 3.174430E-01 21 712 2.501290E+00 3.163720E-01 21 713 2.504020E+00 3.153130E-01 21 714 2.506750E+00 3.142630E-01 21 715 2.509490E+00 3.132190E-01 21 716 2.512220E+00 3.121870E-01 21 717 2.514960E+00 3.111610E-01 21 718 2.517690E+00 3.101470E-01 21 719 2.520420E+00 3.091420E-01 21 720 2.523160E+00 3.081420E-01 21 721 2.525890E+00 3.071540E-01 21 722 2.528630E+00 3.061710E-01 21 723 2.531360E+00 3.052010E-01 21 724 2.534090E+00 3.042380E-01 21 725 2.536830E+00 3.032810E-01 21 726 2.539560E+00 3.023360E-01 21 727 2.542300E+00 3.013950E-01 21 728 2.545030E+00 3.004640E-01 21 729 2.547760E+00 2.995480E-01 21 730 2.550500E+00 2.986250E-01 21 731 2.553230E+00 2.977300E-01 21 732 2.555970E+00 2.968200E-01 21 733 2.558700E+00 2.959340E-01 21 734 2.561430E+00 2.950530E-01 21 735 2.564170E+00 2.941760E-01 21 736 2.566900E+00 2.933100E-01 21 737 2.569640E+00 2.924490E-01 21 738 2.572370E+00 2.915980E-01 21 739 2.575100E+00 2.907550E-01 21 740 2.577840E+00 2.899160E-01 21 741 2.580570E+00 2.890880E-01 21 742 2.583310E+00 2.882640E-01 21 743 2.586040E+00 2.874500E-01 21 744 2.588780E+00 2.866410E-01 21 745 2.591510E+00 2.858410E-01 21 746 2.594240E+00 2.850490E-01 21 747 2.596980E+00 2.842610E-01 21 748 2.599710E+00 2.834820E-01 21 749 2.602450E+00 2.827080E-01 21 750 2.605180E+00 2.819430E-01 21 751 2.607910E+00 2.811860E-01 21 752 2.610650E+00 2.804320E-01 21 753 2.613380E+00 2.796870E-01 21 754 2.616120E+00 2.789470E-01 21 755 2.618850E+00 2.782160E-01 21 756 2.621580E+00 2.774910E-01 21 757 2.624320E+00 2.767700E-01 21 758 2.627050E+00 2.760580E-01 21 759 2.629790E+00 2.753500E-01 21 760 2.632520E+00 2.746510E-01 21 761 2.635250E+00 2.739580E-01 21 762 2.637990E+00 2.732680E-01 21 763 2.640720E+00 2.725870E-01 21 764 2.643460E+00 2.719100E-01 21 765 2.646190E+00 2.712410E-01 21 766 2.648920E+00 2.705790E-01 21 767 2.651660E+00 2.699190E-01 21 768 2.654390E+00 2.692680E-01 21 769 2.657130E+00 2.686200E-01 21 770 2.659860E+00 2.679810E-01 21 771 2.662590E+00 2.673470E-01 21 772 2.665330E+00 2.667160E-01 21 773 2.668060E+00 2.660940E-01 21 774 2.670800E+00 2.654740E-01 21 775 2.673530E+00 2.648620E-01 21 776 2.676260E+00 2.642560E-01 21 777 2.679000E+00 2.636530E-01 21 778 2.681730E+00 2.630570E-01 21 779 2.684470E+00 2.624650E-01 21 780 2.687200E+00 2.618790E-01 21 781 2.689930E+00 2.612990E-01 21 782 2.692670E+00 2.607220E-01 21 783 2.695400E+00 2.601520E-01 21 784 2.698140E+00 2.595850E-01 21 785 2.700870E+00 2.590250E-01 21 786 2.703610E+00 2.584680E-01 21 787 2.706340E+00 2.579180E-01 21 788 2.709070E+00 2.573720E-01 21 789 2.711810E+00 2.568300E-01 21 790 2.714540E+00 2.562930E-01 21 791 2.717280E+00 2.557600E-01 21 792 2.720010E+00 2.552330E-01 21 793 2.722740E+00 2.547110E-01 21 794 2.725480E+00 2.541910E-01 21 795 2.728210E+00 2.536780E-01 21 796 2.730950E+00 2.531670E-01 21 797 2.733680E+00 2.526630E-01 21 798 2.736410E+00 2.521620E-01 21 799 2.739150E+00 2.516640E-01 21 800 2.741880E+00 2.511720E-01 21 801 2.744620E+00 2.506830E-01 21 802 2.747350E+00 2.501990E-01 21 803 2.750080E+00 2.497200E-01 21 804 2.752820E+00 2.492430E-01 21 805 2.755550E+00 2.487710E-01 21 806 2.758290E+00 2.483020E-01 21 807 2.761020E+00 2.478380E-01 21 808 2.763750E+00 2.473780E-01 21 809 2.766490E+00 2.469200E-01 21 810 2.769220E+00 2.464680E-01 21 811 2.771960E+00 2.460180E-01 21 812 2.774690E+00 2.455730E-01 21 813 2.777420E+00 2.451310E-01 21 814 2.780160E+00 2.446920E-01 21 815 2.782890E+00 2.442580E-01 21 816 2.785630E+00 2.438250E-01 21 817 2.788360E+00 2.433980E-01 21 818 2.791090E+00 2.429740E-01 21 819 2.793830E+00 2.425510E-01 21 820 2.796560E+00 2.421340E-01 21 821 2.799300E+00 2.417180E-01 21 822 2.802030E+00 2.413070E-01 21 823 2.804760E+00 2.408990E-01 21 824 2.807500E+00 2.404930E-01 21 825 2.810230E+00 2.400920E-01 21 826 2.812970E+00 2.396920E-01 21 827 2.815700E+00 2.392960E-01 21 828 2.818430E+00 2.389040E-01 21 829 2.821170E+00 2.385130E-01 # data_SASDAN2_FIT_1 # _sas_model_fitting_details.id 1 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 2.4025 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 21 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1 1 6.312000E-02 9.754930E+00 9.847260E+00 1 2 6.339000E-02 9.674870E+00 9.817860E+00 1 3 6.367000E-02 9.621980E+00 9.788430E+00 1 4 6.394000E-02 9.634800E+00 9.758960E+00 1 5 6.421000E-02 9.595230E+00 9.729460E+00 1 6 6.449000E-02 9.570570E+00 9.699920E+00 1 7 6.476000E-02 9.544280E+00 9.670350E+00 1 8 6.503000E-02 9.495050E+00 9.640750E+00 1 9 6.531000E-02 9.425310E+00 9.611110E+00 1 10 6.558000E-02 9.455200E+00 9.581450E+00 1 11 6.585000E-02 9.406470E+00 9.551750E+00 1 12 6.613000E-02 9.442560E+00 9.522030E+00 1 13 6.640000E-02 9.412350E+00 9.492280E+00 1 14 6.667000E-02 9.424100E+00 9.462500E+00 1 15 6.695000E-02 9.324960E+00 9.432700E+00 1 16 6.722000E-02 9.329050E+00 9.402860E+00 1 17 6.749000E-02 9.314380E+00 9.373000E+00 1 18 6.777000E-02 9.239720E+00 9.343130E+00 1 19 6.804000E-02 9.221030E+00 9.313230E+00 1 20 6.831000E-02 9.177090E+00 9.283310E+00 1 21 6.859000E-02 9.212260E+00 9.253370E+00 1 22 6.886000E-02 9.160230E+00 9.223410E+00 1 23 6.913000E-02 9.083400E+00 9.193440E+00 1 24 6.941000E-02 9.070620E+00 9.163440E+00 1 25 6.968000E-02 9.017100E+00 9.133430E+00 1 26 6.996000E-02 8.997650E+00 9.103400E+00 1 27 7.023000E-02 8.960770E+00 9.073360E+00 1 28 7.050000E-02 8.941920E+00 9.043310E+00 1 29 7.078000E-02 8.920170E+00 9.013240E+00 1 30 7.105000E-02 8.918390E+00 8.983170E+00 1 31 7.132000E-02 8.921810E+00 8.953080E+00 1 32 7.160000E-02 8.859240E+00 8.922980E+00 1 33 7.187000E-02 8.817380E+00 8.892870E+00 1 34 7.214000E-02 8.819190E+00 8.862750E+00 1 35 7.242000E-02 8.722280E+00 8.832630E+00 1 36 7.269000E-02 8.676950E+00 8.802500E+00 1 37 7.296000E-02 8.681780E+00 8.772370E+00 1 38 7.324000E-02 8.624770E+00 8.742230E+00 1 39 7.351000E-02 8.559610E+00 8.712080E+00 1 40 7.378000E-02 8.517390E+00 8.681930E+00 1 41 7.406000E-02 8.523890E+00 8.651780E+00 1 42 7.433000E-02 8.499840E+00 8.621630E+00 1 43 7.460000E-02 8.458750E+00 8.591490E+00 1 44 7.488000E-02 8.460960E+00 8.561340E+00 1 45 7.515000E-02 8.360770E+00 8.531190E+00 1 46 7.542000E-02 8.349570E+00 8.501050E+00 1 47 7.570000E-02 8.327550E+00 8.470910E+00 1 48 7.597000E-02 8.318180E+00 8.440770E+00 1 49 7.624000E-02 8.321020E+00 8.410640E+00 1 50 7.652000E-02 8.276900E+00 8.380520E+00 1 51 7.679000E-02 8.262310E+00 8.350400E+00 1 52 7.706000E-02 8.249530E+00 8.320290E+00 1 53 7.734000E-02 8.229610E+00 8.290190E+00 1 54 7.761000E-02 8.183590E+00 8.260090E+00 1 55 7.788000E-02 8.137270E+00 8.230010E+00 1 56 7.816000E-02 8.068280E+00 8.199940E+00 1 57 7.843000E-02 8.093790E+00 8.169880E+00 1 58 7.870000E-02 8.074070E+00 8.139830E+00 1 59 7.898000E-02 7.989350E+00 8.109790E+00 1 60 7.925000E-02 7.981670E+00 8.079770E+00 1 61 7.952000E-02 7.952090E+00 8.049760E+00 1 62 7.980000E-02 7.910470E+00 8.019760E+00 1 63 8.007000E-02 7.887510E+00 7.989790E+00 1 64 8.034000E-02 7.901070E+00 7.959830E+00 1 65 8.062000E-02 7.851470E+00 7.929890E+00 1 66 8.089000E-02 7.765660E+00 7.899970E+00 1 67 8.116000E-02 7.743380E+00 7.870060E+00 1 68 8.144000E-02 7.727660E+00 7.840180E+00 1 69 8.171000E-02 7.744030E+00 7.810320E+00 1 70 8.198000E-02 7.668580E+00 7.780480E+00 1 71 8.226000E-02 7.669170E+00 7.750660E+00 1 72 8.253000E-02 7.660800E+00 7.720870E+00 1 73 8.281000E-02 7.580980E+00 7.691100E+00 1 74 8.308000E-02 7.504160E+00 7.661350E+00 1 75 8.335000E-02 7.514020E+00 7.631630E+00 1 76 8.363000E-02 7.507930E+00 7.601940E+00 1 77 8.390000E-02 7.498600E+00 7.572270E+00 1 78 8.417000E-02 7.473410E+00 7.542630E+00 1 79 8.445000E-02 7.387950E+00 7.513020E+00 1 80 8.472000E-02 7.362700E+00 7.483430E+00 1 81 8.499000E-02 7.340060E+00 7.453880E+00 1 82 8.527000E-02 7.293080E+00 7.424360E+00 1 83 8.554000E-02 7.294780E+00 7.394860E+00 1 84 8.581000E-02 7.266930E+00 7.365400E+00 1 85 8.609000E-02 7.225490E+00 7.335960E+00 1 86 8.636000E-02 7.187460E+00 7.306560E+00 1 87 8.663000E-02 7.161870E+00 7.277200E+00 1 88 8.691000E-02 7.083010E+00 7.247870E+00 1 89 8.718000E-02 7.082280E+00 7.218570E+00 1 90 8.745000E-02 7.056750E+00 7.189310E+00 1 91 8.773000E-02 6.979200E+00 7.160090E+00 1 92 8.800000E-02 6.971560E+00 7.130900E+00 1 93 8.827000E-02 6.993780E+00 7.101750E+00 1 94 8.855000E-02 6.961070E+00 7.072640E+00 1 95 8.882000E-02 6.882750E+00 7.043570E+00 1 96 8.909000E-02 6.867250E+00 7.014540E+00 1 97 8.937000E-02 6.877230E+00 6.985540E+00 1 98 8.964000E-02 6.871460E+00 6.956590E+00 1 99 8.991000E-02 6.785420E+00 6.927670E+00 1 100 9.019000E-02 6.771920E+00 6.898800E+00 1 101 9.046000E-02 6.738050E+00 6.869970E+00 1 102 9.073000E-02 6.677310E+00 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1.239410E-01 1.044350E-01 1 1742 5.393900E-01 1.187060E-01 1.044050E-01 1 1743 5.396600E-01 1.192650E-01 1.043750E-01 1 1744 5.399400E-01 1.170280E-01 1.043450E-01 1 1745 5.402100E-01 1.115860E-01 1.043140E-01 1 1746 5.404800E-01 1.123670E-01 1.042840E-01 1 1747 5.407600E-01 1.133610E-01 1.042530E-01 1 1748 5.410300E-01 1.153730E-01 1.042230E-01 1 1749 5.413000E-01 1.107570E-01 1.041930E-01 1 1750 5.415800E-01 1.155110E-01 1.041620E-01 1 1751 5.418500E-01 1.107560E-01 1.041320E-01 1 1752 5.421200E-01 1.129080E-01 1.041010E-01 1 1753 5.424000E-01 1.064400E-01 1.040710E-01 1 1754 5.426700E-01 1.151380E-01 1.040400E-01 1 1755 5.429500E-01 1.152880E-01 1.040090E-01 1 1756 5.432200E-01 1.062880E-01 1.039790E-01 1 1757 5.434900E-01 1.063490E-01 1.039480E-01 1 1758 5.437700E-01 1.153730E-01 1.039170E-01 1 1759 5.440400E-01 1.044040E-01 1.038870E-01 1 1760 5.443100E-01 1.025430E-01 1.038560E-01 1 1761 5.445900E-01 9.344240E-02 1.038250E-01 1 1762 5.448600E-01 9.968310E-02 1.037940E-01 1 1763 5.451300E-01 1.011220E-01 1.037630E-01 1 1764 5.454100E-01 1.059730E-01 1.037320E-01 1 1765 5.456800E-01 1.047740E-01 1.037010E-01 1 1766 5.459500E-01 9.101170E-02 1.036700E-01 1 1767 5.462300E-01 1.027610E-01 1.036390E-01 1 1768 5.465000E-01 1.017370E-01 1.036080E-01 1 1769 5.467700E-01 1.052240E-01 1.035770E-01 1 1770 5.470500E-01 1.043530E-01 1.035460E-01 1 1771 5.473200E-01 1.003080E-01 1.035140E-01 1 1772 5.475900E-01 1.038830E-01 1.034830E-01 1 1773 5.478700E-01 9.932010E-02 1.034520E-01 1 1774 5.481400E-01 9.645160E-02 1.034200E-01 1 1775 5.484100E-01 1.016930E-01 1.033890E-01 1 1776 5.486900E-01 1.069340E-01 1.033570E-01 1 1777 5.489600E-01 9.519920E-02 1.033260E-01 1 1778 5.492300E-01 1.051580E-01 1.032940E-01 1 1779 5.495100E-01 1.009910E-01 1.032620E-01 1 1780 5.497800E-01 1.124290E-01 1.032310E-01 1 1781 5.500500E-01 1.151820E-01 1.031990E-01 1 1782 5.503300E-01 1.083190E-01 1.031670E-01 1 1783 5.506000E-01 1.076540E-01 1.031350E-01 1 1784 5.508700E-01 1.061140E-01 1.031030E-01 1 1785 5.511500E-01 1.129490E-01 1.030710E-01 1 1786 5.514200E-01 1.009180E-01 1.030390E-01 1 1787 5.516900E-01 1.029430E-01 1.030070E-01 1 1788 5.519700E-01 1.055250E-01 1.029750E-01 1 1789 5.522400E-01 1.045160E-01 1.029420E-01 1 1790 5.525100E-01 1.101050E-01 1.029100E-01 1 1791 5.527900E-01 1.116790E-01 1.028770E-01 1 1792 5.530600E-01 1.072460E-01 1.028450E-01 1 1793 5.533300E-01 1.092820E-01 1.028120E-01 1 1794 5.536100E-01 1.061090E-01 1.027800E-01 1 1795 5.538800E-01 1.135000E-01 1.027470E-01 1 1796 5.541500E-01 1.111750E-01 1.027140E-01 1 1797 5.544300E-01 1.102290E-01 1.026810E-01 1 1798 5.547000E-01 1.050310E-01 1.026490E-01 1 1799 5.549700E-01 9.751180E-02 1.026160E-01 1 1800 5.552500E-01 9.240590E-02 1.025820E-01 1 1801 5.555200E-01 9.993740E-02 1.025490E-01 1 1802 5.558000E-01 1.067500E-01 1.025160E-01 1 1803 5.560700E-01 1.041730E-01 1.024830E-01 1 1804 5.563400E-01 1.110720E-01 1.024490E-01 1 1805 5.566200E-01 1.081450E-01 1.024160E-01 1 1806 5.568900E-01 1.134900E-01 1.023820E-01 1 1807 5.571600E-01 9.155310E-02 1.023490E-01 1 1808 5.574400E-01 9.495880E-02 1.023150E-01 1 1809 5.577100E-01 1.056320E-01 1.022810E-01 1 1810 5.579800E-01 1.082150E-01 1.022470E-01 1 1811 5.582600E-01 1.053340E-01 1.022130E-01 1 1812 5.585300E-01 9.851250E-02 1.021790E-01 1 1813 5.588000E-01 1.073410E-01 1.021450E-01 1 1814 5.590800E-01 1.156420E-01 1.021110E-01 1 1815 5.593500E-01 1.150490E-01 1.020770E-01 1 1816 5.596200E-01 1.109960E-01 1.020420E-01 1 1817 5.599000E-01 1.130320E-01 1.020080E-01 1 1818 5.601700E-01 1.098750E-01 1.019730E-01 1 1819 5.604400E-01 1.029870E-01 1.019380E-01 1 1820 5.607200E-01 1.064460E-01 1.019040E-01 1 1821 5.609900E-01 1.108880E-01 1.018690E-01 1 1822 5.612600E-01 1.042240E-01 1.018340E-01 1 1823 5.615400E-01 1.027920E-01 1.017990E-01 1 1824 5.618100E-01 1.012300E-01 1.017630E-01 1 1825 5.620800E-01 9.055960E-02 1.017280E-01 1 1826 5.623600E-01 9.609290E-02 1.016930E-01 1 1827 5.626300E-01 8.934200E-02 1.016570E-01 1 1828 5.629000E-01 1.004070E-01 1.016210E-01 1 1829 5.631800E-01 9.968920E-02 1.015860E-01 1 1830 5.634500E-01 1.048910E-01 1.015500E-01 1 1831 5.637200E-01 9.991510E-02 1.015140E-01 1 1832 5.640000E-01 9.402790E-02 1.014780E-01 1 1833 5.642700E-01 9.835710E-02 1.014420E-01 1 1834 5.645400E-01 1.111980E-01 1.014050E-01 1 1835 5.648200E-01 1.085100E-01 1.013690E-01 1 1836 5.650900E-01 1.010240E-01 1.013320E-01 1 1837 5.653600E-01 9.866010E-02 1.012950E-01 1 1838 5.656400E-01 1.045890E-01 1.012590E-01 1 1839 5.659100E-01 1.103830E-01 1.012220E-01 1 1840 5.661800E-01 8.851330E-02 1.011850E-01 1 1841 5.664600E-01 9.856520E-02 1.011470E-01 1 1842 5.667300E-01 9.276990E-02 1.011100E-01 1 1843 5.670000E-01 9.836500E-02 1.010720E-01 1 1844 5.672800E-01 9.682230E-02 1.010350E-01 1 1845 5.675500E-01 9.861070E-02 1.009970E-01 1 1846 5.678200E-01 9.992280E-02 1.009590E-01 1 1847 5.681000E-01 9.790490E-02 1.009210E-01 1 1848 5.683700E-01 9.123280E-02 1.008830E-01 1 1849 5.686500E-01 1.071040E-01 1.008450E-01 1 1850 5.689200E-01 1.125800E-01 1.008060E-01 1 1851 5.691900E-01 1.053390E-01 1.007680E-01 1 1852 5.694700E-01 1.092080E-01 1.007290E-01 1 1853 5.697400E-01 8.884020E-02 1.006900E-01 1 1854 5.700100E-01 8.707980E-02 1.006510E-01 1 1855 5.702900E-01 9.421730E-02 1.006120E-01 1 1856 5.705600E-01 1.050950E-01 1.005720E-01 1 1857 5.708300E-01 9.707360E-02 1.005330E-01 1 1858 5.711100E-01 1.068790E-01 1.004930E-01 1 1859 5.713800E-01 9.688230E-02 1.004530E-01 1 1860 5.716500E-01 9.011610E-02 1.004140E-01 1 1861 5.719300E-01 1.003330E-01 1.003730E-01 1 1862 5.722000E-01 1.023460E-01 1.003330E-01 1 1863 5.724700E-01 1.047430E-01 1.002930E-01 1 1864 5.727500E-01 1.034080E-01 1.002520E-01 1 1865 5.730200E-01 1.051020E-01 1.002110E-01 1 1866 5.732900E-01 1.039070E-01 1.001700E-01 1 1867 5.735700E-01 1.156460E-01 1.001290E-01 1 1868 5.738400E-01 9.998900E-02 1.000880E-01 1 1869 5.741100E-01 9.512000E-02 1.000470E-01 1 1870 5.743900E-01 9.557330E-02 1.000050E-01 1 1871 5.746600E-01 9.832280E-02 9.996310E-02 1 1872 5.749300E-01 9.628150E-02 9.992120E-02 1 1873 5.752100E-01 9.813450E-02 9.987920E-02 1 1874 5.754800E-01 9.456290E-02 9.983680E-02 1 1875 5.757500E-01 1.056310E-01 9.979440E-02 1 1876 5.760300E-01 1.022380E-01 9.975160E-02 1 1877 5.763000E-01 1.006170E-01 9.970880E-02 1 1878 5.765700E-01 1.104580E-01 9.966590E-02 1 1879 5.768500E-01 1.044590E-01 9.962260E-02 1 1880 5.771200E-01 1.034670E-01 9.957930E-02 1 1881 5.773900E-01 9.901560E-02 9.953560E-02 1 1882 5.776700E-01 1.004650E-01 9.949190E-02 1 1883 5.779400E-01 1.019490E-01 9.944800E-02 1 1884 5.782100E-01 1.037350E-01 9.940380E-02 1 1885 5.784900E-01 9.307280E-02 9.935960E-02 1 1886 5.787600E-01 9.153630E-02 9.931490E-02 1 1887 5.790300E-01 9.453690E-02 9.927030E-02 1 1888 5.793100E-01 9.274680E-02 9.922550E-02 1 1889 5.795800E-01 8.835980E-02 9.918030E-02 1 1890 5.798500E-01 9.377590E-02 9.913500E-02 1 1891 5.801300E-01 9.896950E-02 9.908950E-02 1 1892 5.804000E-01 9.799000E-02 9.904380E-02 1 1893 5.806700E-01 1.056180E-01 9.899800E-02 1 1894 5.809500E-01 1.018520E-01 9.895180E-02 1 1895 5.812200E-01 1.085710E-01 9.890560E-02 1 1896 5.815000E-01 1.015270E-01 9.885900E-02 1 1897 5.817700E-01 9.489350E-02 9.881230E-02 1 1898 5.820400E-01 9.522570E-02 9.876550E-02 1 1899 5.823200E-01 9.313280E-02 9.871830E-02 1 1900 5.825900E-01 1.017610E-01 9.867100E-02 1 1901 5.828600E-01 9.820290E-02 9.862340E-02 1 1902 5.831400E-01 1.077140E-01 9.857570E-02 1 1903 5.834100E-01 1.051380E-01 9.852760E-02 1 1904 5.836800E-01 9.971660E-02 9.847950E-02 1 1905 5.839600E-01 1.000120E-01 9.843120E-02 1 1906 5.842300E-01 1.035910E-01 9.838250E-02 1 1907 5.845000E-01 9.933450E-02 9.833370E-02 1 1908 5.847800E-01 9.222530E-02 9.828450E-02 1 1909 5.850500E-01 9.383400E-02 9.823530E-02 1 1910 5.853200E-01 9.787550E-02 9.818590E-02 1 1911 5.856000E-01 9.781840E-02 9.813610E-02 1 1912 5.858700E-01 1.027530E-01 9.808620E-02 1 1913 5.861400E-01 9.521600E-02 9.803600E-02 1 1914 5.864200E-01 1.079060E-01 9.798570E-02 1 1915 5.866900E-01 9.758570E-02 9.793510E-02 1 1916 5.869600E-01 9.728430E-02 9.788420E-02 1 1917 5.872400E-01 1.037200E-01 9.783310E-02 1 1918 5.875100E-01 1.058040E-01 9.778170E-02 1 1919 5.877800E-01 9.668410E-02 9.773030E-02 1 1920 5.880600E-01 9.727980E-02 9.767860E-02 1 1921 5.883300E-01 1.000340E-01 9.762650E-02 1 1922 5.886000E-01 1.060340E-01 9.757430E-02 1 1923 5.888800E-01 9.290420E-02 9.752170E-02 1 1924 5.891500E-01 1.036130E-01 9.746910E-02 1 1925 5.894200E-01 1.162880E-01 9.741620E-02 1 1926 5.897000E-01 1.000370E-01 9.736290E-02 1 1927 5.899700E-01 9.282430E-02 9.730950E-02 1 1928 5.902400E-01 1.020210E-01 9.725570E-02 1 1929 5.905200E-01 1.029340E-01 9.720190E-02 1 1930 5.907900E-01 9.235750E-02 9.714780E-02 1 1931 5.910600E-01 9.966650E-02 9.709330E-02 1 1932 5.913400E-01 9.588910E-02 9.703870E-02 1 1933 5.916100E-01 9.769720E-02 9.698370E-02 1 1934 5.918800E-01 1.035610E-01 9.692860E-02 1 1935 5.921600E-01 9.808600E-02 9.687330E-02 1 1936 5.924300E-01 9.501500E-02 9.681760E-02 1 1937 5.927000E-01 9.477090E-02 9.676180E-02 1 1938 5.929800E-01 8.345790E-02 9.670560E-02 1 1939 5.932500E-01 9.366130E-02 9.664940E-02 1 1940 5.935200E-01 1.026110E-01 9.659300E-02 1 1941 5.938000E-01 9.234770E-02 9.653610E-02 1 1942 5.940700E-01 9.318480E-02 9.647930E-02 1 1943 5.943500E-01 9.630030E-02 9.642200E-02 1 1944 5.946200E-01 9.499900E-02 9.636470E-02 1 1945 5.948900E-01 1.036710E-01 9.630700E-02 1 1946 5.951700E-01 1.044010E-01 9.624940E-02 1 1947 5.954400E-01 9.476880E-02 9.619150E-02 1 1948 5.957100E-01 8.939240E-02 9.613320E-02 1 1949 5.959900E-01 9.379010E-02 9.607490E-02 1 1950 5.962600E-01 9.577850E-02 9.601620E-02 1 1951 5.965300E-01 1.027050E-01 9.595760E-02 1 1952 5.968100E-01 9.671420E-02 9.589880E-02 1 1953 5.970800E-01 9.606670E-02 9.583960E-02 1 1954 5.973500E-01 9.181470E-02 9.578040E-02 1 1955 5.976300E-01 9.950010E-02 9.572080E-02 1 1956 5.983700E-01 9.471930E-02 9.555750E-02 1 1957 5.993000E-01 9.059620E-02 9.535360E-02 1 1958 6.002200E-01 8.555370E-02 9.514800E-02 1 1959 6.011500E-01 8.980970E-02 9.494060E-02 1 1960 6.020700E-01 9.954560E-02 9.473180E-02 1 1961 6.030000E-01 9.502520E-02 9.452140E-02 1 1962 6.039300E-01 1.063950E-01 9.431000E-02 1 1963 6.048500E-01 1.040370E-01 9.409740E-02 1 1964 6.057800E-01 9.286000E-02 9.388340E-02 1 1965 6.067000E-01 9.390430E-02 9.366880E-02 1 1966 6.076300E-01 1.037860E-01 9.345310E-02 1 1967 6.085500E-01 9.870210E-02 9.323690E-02 1 1968 6.094800E-01 9.393350E-02 9.301990E-02 1 1969 6.104000E-01 9.208670E-02 9.280250E-02 1 1970 6.113300E-01 9.462850E-02 9.258480E-02 1 1971 6.122500E-01 9.304050E-02 9.236650E-02 1 1972 6.131800E-01 9.645540E-02 9.214830E-02 1 1973 6.141100E-01 9.280530E-02 9.192970E-02 1 1974 6.150300E-01 9.425340E-02 9.171140E-02 1 1975 6.159600E-01 9.044620E-02 9.149310E-02 1 1976 6.168800E-01 9.040700E-02 9.127490E-02 1 1977 6.178100E-01 8.410440E-02 9.105720E-02 1 1978 6.187300E-01 9.042110E-02 9.083970E-02 1 1979 6.196600E-01 9.586230E-02 9.062290E-02 1 1980 6.205800E-01 9.567400E-02 9.040680E-02 1 1981 6.215100E-01 9.356220E-02 9.019110E-02 1 1982 6.224300E-01 9.087000E-02 8.997640E-02 1 1983 6.233600E-01 8.846330E-02 8.976240E-02 1 1984 6.242800E-01 9.254530E-02 8.954960E-02 1 1985 6.252100E-01 9.451280E-02 8.933760E-02 1 1986 6.261400E-01 8.642460E-02 8.912680E-02 1 1987 6.270600E-01 8.392330E-02 8.891690E-02 1 1988 6.279900E-01 9.269470E-02 8.870770E-02 1 1989 6.289100E-01 8.901090E-02 8.849970E-02 1 1990 6.298400E-01 8.701960E-02 8.829220E-02 1 1991 6.307600E-01 8.734900E-02 8.808570E-02 1 1992 6.316900E-01 9.296210E-02 8.788000E-02 1 1993 6.326100E-01 8.940220E-02 8.767490E-02 1 1994 6.335400E-01 8.771770E-02 8.747060E-02 1 1995 6.344600E-01 8.979390E-02 8.726680E-02 1 1996 6.353900E-01 8.764700E-02 8.706380E-02 1 1997 6.363100E-01 9.192460E-02 8.686140E-02 1 1998 6.372400E-01 8.991640E-02 8.665930E-02 1 1999 6.381700E-01 9.381160E-02 8.645800E-02 1 2000 6.390900E-01 9.028110E-02 8.625700E-02 1 2001 6.400200E-01 8.583920E-02 8.605660E-02 1 2002 6.409400E-01 8.406780E-02 8.585650E-02 1 2003 6.418700E-01 8.314650E-02 8.565700E-02 1 2004 6.427900E-01 8.273000E-02 8.545780E-02 1 2005 6.437200E-01 7.990730E-02 8.525880E-02 1 2006 6.446400E-01 8.386510E-02 8.506020E-02 1 2007 6.455700E-01 8.098200E-02 8.486180E-02 1 2008 6.464900E-01 9.077410E-02 8.466380E-02 1 2009 6.474200E-01 8.433770E-02 8.446600E-02 1 2010 6.483500E-01 8.828610E-02 8.426810E-02 1 2011 6.492700E-01 8.503160E-02 8.407060E-02 1 2012 6.502000E-01 8.346310E-02 8.387310E-02 1 2013 6.511200E-01 7.866750E-02 8.367580E-02 1 2014 6.520500E-01 8.600260E-02 8.347860E-02 1 2015 6.529700E-01 7.851200E-02 8.328130E-02 1 2016 6.539000E-01 8.719940E-02 8.308410E-02 1 2017 6.548200E-01 8.250890E-02 8.288680E-02 1 2018 6.557500E-01 7.409590E-02 8.268950E-02 1 2019 6.566700E-01 7.464460E-02 8.249210E-02 # data_SASDAN2_FIT_2 # _sas_model_fitting_details.id 2 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 1.493284 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 21 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 2 1 4.562210E-02 1.136960E+01 1.111300E+01 2 2 4.589550E-02 1.127400E+01 1.109080E+01 2 3 4.616890E-02 1.126870E+01 1.106860E+01 2 4 4.644230E-02 1.126640E+01 1.104630E+01 2 5 4.671570E-02 1.124980E+01 1.102410E+01 2 6 4.698910E-02 1.124370E+01 1.100180E+01 2 7 4.726250E-02 1.122280E+01 1.097960E+01 2 8 4.753590E-02 1.107230E+01 1.095730E+01 2 9 4.780930E-02 1.108600E+01 1.093510E+01 2 10 4.808270E-02 1.103550E+01 1.091290E+01 2 11 4.835610E-02 1.105380E+01 1.089060E+01 2 12 4.862960E-02 1.101080E+01 1.086840E+01 2 13 4.890300E-02 1.100480E+01 1.084610E+01 2 14 4.917640E-02 1.098760E+01 1.082390E+01 2 15 4.944980E-02 1.092290E+01 1.080160E+01 2 16 4.972320E-02 1.089540E+01 1.077940E+01 2 17 4.999660E-02 1.088140E+01 1.075720E+01 2 18 5.027000E-02 1.086100E+01 1.073350E+01 2 19 5.054340E-02 1.084970E+01 1.070980E+01 2 20 5.081680E-02 1.084910E+01 1.068620E+01 2 21 5.109020E-02 1.077020E+01 1.066250E+01 2 22 5.136360E-02 1.080800E+01 1.063880E+01 2 23 5.163700E-02 1.080290E+01 1.061520E+01 2 24 5.191040E-02 1.072920E+01 1.059150E+01 2 25 5.218380E-02 1.078400E+01 1.056780E+01 2 26 5.245720E-02 1.074770E+01 1.054410E+01 2 27 5.273060E-02 1.071960E+01 1.052050E+01 2 28 5.300400E-02 1.067710E+01 1.049680E+01 2 29 5.327740E-02 1.062380E+01 1.047310E+01 2 30 5.355080E-02 1.072500E+01 1.044950E+01 2 31 5.382420E-02 1.064940E+01 1.042580E+01 2 32 5.409760E-02 1.062490E+01 1.040210E+01 2 33 5.437100E-02 1.059650E+01 1.037850E+01 2 34 5.464450E-02 1.059260E+01 1.035480E+01 2 35 5.491790E-02 1.056990E+01 1.033110E+01 2 36 5.519130E-02 1.038480E+01 1.030660E+01 2 37 5.546470E-02 1.042530E+01 1.028180E+01 2 38 5.573810E-02 1.046560E+01 1.025690E+01 2 39 5.601150E-02 1.046430E+01 1.023200E+01 2 40 5.628490E-02 1.033620E+01 1.020720E+01 2 41 5.655830E-02 1.036350E+01 1.018230E+01 2 42 5.683170E-02 1.037150E+01 1.015750E+01 2 43 5.710510E-02 1.029930E+01 1.013260E+01 2 44 5.737850E-02 1.026350E+01 1.010770E+01 2 45 5.765190E-02 1.024020E+01 1.008290E+01 2 46 5.792530E-02 1.024370E+01 1.005800E+01 2 47 5.819870E-02 1.020020E+01 1.003310E+01 2 48 5.847210E-02 1.020550E+01 1.000830E+01 2 49 5.874550E-02 1.024110E+01 9.983420E+00 2 50 5.901890E-02 1.013260E+01 9.958560E+00 2 51 5.929230E-02 1.009910E+01 9.933700E+00 2 52 5.956570E-02 1.009440E+01 9.908840E+00 2 53 5.983910E-02 1.008160E+01 9.883980E+00 2 54 6.011250E-02 1.004680E+01 9.858720E+00 2 55 6.038590E-02 1.000780E+01 9.832910E+00 2 56 6.065930E-02 9.958200E+00 9.807100E+00 2 57 6.093280E-02 9.952060E+00 9.781270E+00 2 58 6.120620E-02 9.943280E+00 9.755460E+00 2 59 6.147960E-02 9.917260E+00 9.729640E+00 2 60 6.175300E-02 9.887800E+00 9.703830E+00 2 61 6.202640E-02 9.857230E+00 9.678020E+00 2 62 6.229980E-02 9.849520E+00 9.652200E+00 2 63 6.257320E-02 9.748500E+00 9.626390E+00 2 64 6.284660E-02 9.727010E+00 9.600570E+00 2 65 6.312000E-02 9.754930E+00 9.574760E+00 2 66 6.339340E-02 9.674870E+00 9.548950E+00 2 67 6.366680E-02 9.621980E+00 9.523130E+00 2 68 6.394020E-02 9.634800E+00 9.497320E+00 2 69 6.421360E-02 9.595230E+00 9.471500E+00 2 70 6.448700E-02 9.570570E+00 9.445690E+00 2 71 6.476040E-02 9.544280E+00 9.419870E+00 2 72 6.503380E-02 9.495050E+00 9.393970E+00 2 73 6.530720E-02 9.425310E+00 9.367450E+00 2 74 6.558060E-02 9.455200E+00 9.340920E+00 2 75 6.585400E-02 9.406470E+00 9.314390E+00 2 76 6.612740E-02 9.442560E+00 9.287870E+00 2 77 6.640080E-02 9.412350E+00 9.261340E+00 2 78 6.667420E-02 9.424100E+00 9.234820E+00 2 79 6.694760E-02 9.324960E+00 9.208290E+00 2 80 6.722110E-02 9.329050E+00 9.181750E+00 2 81 6.749450E-02 9.314380E+00 9.155230E+00 2 82 6.776790E-02 9.239720E+00 9.128700E+00 2 83 6.804130E-02 9.221030E+00 9.102180E+00 2 84 6.831470E-02 9.177090E+00 9.075650E+00 2 85 6.858810E-02 9.212260E+00 9.049120E+00 2 86 6.886150E-02 9.160230E+00 9.022600E+00 2 87 6.913490E-02 9.083400E+00 8.996070E+00 2 88 6.940830E-02 9.070620E+00 8.969550E+00 2 89 6.968170E-02 9.017100E+00 8.943020E+00 2 90 6.995510E-02 8.997650E+00 8.916490E+00 2 91 7.022850E-02 8.960770E+00 8.889570E+00 2 92 7.050190E-02 8.941920E+00 8.862570E+00 2 93 7.077530E-02 8.920170E+00 8.835580E+00 2 94 7.104870E-02 8.918390E+00 8.808580E+00 2 95 7.132210E-02 8.921810E+00 8.781580E+00 2 96 7.159550E-02 8.859240E+00 8.754580E+00 2 97 7.186890E-02 8.817380E+00 8.727580E+00 2 98 7.214230E-02 8.819190E+00 8.700580E+00 2 99 7.241570E-02 8.722280E+00 8.673580E+00 2 100 7.268910E-02 8.676950E+00 8.646580E+00 2 101 7.296250E-02 8.681780E+00 8.619580E+00 2 102 7.323590E-02 8.624770E+00 8.592580E+00 2 103 7.350940E-02 8.559610E+00 8.565580E+00 2 104 7.378280E-02 8.517390E+00 8.538580E+00 2 105 7.405620E-02 8.523890E+00 8.511580E+00 2 106 7.432960E-02 8.499840E+00 8.484580E+00 2 107 7.460300E-02 8.458750E+00 8.457580E+00 2 108 7.487640E-02 8.460960E+00 8.430580E+00 2 109 7.514980E-02 8.360770E+00 8.403450E+00 2 110 7.542320E-02 8.349570E+00 8.376210E+00 2 111 7.569660E-02 8.327550E+00 8.348970E+00 2 112 7.597000E-02 8.318180E+00 8.321730E+00 2 113 7.624340E-02 8.321020E+00 8.294500E+00 2 114 7.651680E-02 8.276900E+00 8.267260E+00 2 115 7.679020E-02 8.262310E+00 8.240020E+00 2 116 7.706360E-02 8.249530E+00 8.212780E+00 2 117 7.733700E-02 8.229610E+00 8.185540E+00 2 118 7.761040E-02 8.183590E+00 8.158300E+00 2 119 7.788380E-02 8.137270E+00 8.131060E+00 2 120 7.815720E-02 8.068280E+00 8.103820E+00 2 121 7.843060E-02 8.093790E+00 8.076590E+00 2 122 7.870400E-02 8.074070E+00 8.049350E+00 2 123 7.897740E-02 7.989350E+00 8.022110E+00 2 124 7.925080E-02 7.981670E+00 7.994870E+00 2 125 7.952420E-02 7.952090E+00 7.967630E+00 2 126 7.979770E-02 7.910470E+00 7.940380E+00 2 127 8.007110E-02 7.887510E+00 7.913140E+00 2 128 8.034450E-02 7.901070E+00 7.885890E+00 2 129 8.061790E-02 7.851470E+00 7.858630E+00 2 130 8.089130E-02 7.765660E+00 7.831380E+00 2 131 8.116470E-02 7.743380E+00 7.804130E+00 2 132 8.143810E-02 7.727660E+00 7.776870E+00 2 133 8.171150E-02 7.744030E+00 7.749620E+00 2 134 8.198490E-02 7.668580E+00 7.722370E+00 2 135 8.225830E-02 7.669170E+00 7.695110E+00 2 136 8.253170E-02 7.660800E+00 7.667860E+00 2 137 8.280510E-02 7.580980E+00 7.640610E+00 2 138 8.307850E-02 7.504160E+00 7.613350E+00 2 139 8.335190E-02 7.514020E+00 7.586100E+00 2 140 8.362530E-02 7.507930E+00 7.558850E+00 2 141 8.389870E-02 7.498600E+00 7.531590E+00 2 142 8.417210E-02 7.473410E+00 7.504340E+00 2 143 8.444550E-02 7.387950E+00 7.477090E+00 2 144 8.471890E-02 7.362700E+00 7.449830E+00 2 145 8.499230E-02 7.340060E+00 7.422580E+00 2 146 8.526570E-02 7.293080E+00 7.395520E+00 2 147 8.553910E-02 7.294780E+00 7.368460E+00 2 148 8.581250E-02 7.266930E+00 7.341410E+00 2 149 8.608600E-02 7.225490E+00 7.314340E+00 2 150 8.635940E-02 7.187460E+00 7.287290E+00 2 151 8.663280E-02 7.161870E+00 7.260240E+00 2 152 8.690620E-02 7.083010E+00 7.233180E+00 2 153 8.717960E-02 7.082280E+00 7.206130E+00 2 154 8.745300E-02 7.056750E+00 7.179070E+00 2 155 8.772640E-02 6.979200E+00 7.152020E+00 2 156 8.799980E-02 6.971560E+00 7.124960E+00 2 157 8.827320E-02 6.993780E+00 7.097910E+00 2 158 8.854660E-02 6.961070E+00 7.070850E+00 2 159 8.882000E-02 6.882750E+00 7.043800E+00 2 160 8.909340E-02 6.867250E+00 7.016740E+00 2 161 8.936680E-02 6.877230E+00 6.989690E+00 2 162 8.964020E-02 6.871460E+00 6.962630E+00 2 163 8.991360E-02 6.785420E+00 6.935580E+00 2 164 9.018700E-02 6.771920E+00 6.908790E+00 2 165 9.046040E-02 6.738050E+00 6.882140E+00 2 166 9.073380E-02 6.677310E+00 6.855480E+00 2 167 9.100720E-02 6.672640E+00 6.828820E+00 2 168 9.128060E-02 6.621580E+00 6.802170E+00 2 169 9.155400E-02 6.629990E+00 6.775510E+00 2 170 9.182740E-02 6.620000E+00 6.748850E+00 2 171 9.210090E-02 6.563230E+00 6.722190E+00 2 172 9.237430E-02 6.529350E+00 6.695530E+00 2 173 9.264770E-02 6.533000E+00 6.668870E+00 2 174 9.292110E-02 6.501830E+00 6.642210E+00 2 175 9.319450E-02 6.536090E+00 6.615560E+00 2 176 9.346790E-02 6.473830E+00 6.588900E+00 2 177 9.374130E-02 6.437470E+00 6.562240E+00 2 178 9.401470E-02 6.387240E+00 6.535590E+00 2 179 9.428810E-02 6.381190E+00 6.508930E+00 2 180 9.456150E-02 6.381990E+00 6.482270E+00 2 181 9.483490E-02 6.365540E+00 6.455620E+00 2 182 9.510830E-02 6.300940E+00 6.429190E+00 2 183 9.538170E-02 6.321830E+00 6.403110E+00 2 184 9.565510E-02 6.252720E+00 6.377040E+00 2 185 9.592850E-02 6.244940E+00 6.350960E+00 2 186 9.620190E-02 6.189540E+00 6.324880E+00 2 187 9.647530E-02 6.214740E+00 6.298810E+00 2 188 9.674870E-02 6.120630E+00 6.272730E+00 2 189 9.702210E-02 6.083590E+00 6.246660E+00 2 190 9.729550E-02 6.064390E+00 6.220580E+00 2 191 9.756890E-02 6.046610E+00 6.194500E+00 2 192 9.784230E-02 6.027290E+00 6.168430E+00 2 193 9.811570E-02 6.023580E+00 6.142350E+00 2 194 9.838920E-02 6.016220E+00 6.116260E+00 2 195 9.866260E-02 5.965190E+00 6.090190E+00 2 196 9.893600E-02 5.931110E+00 6.064110E+00 2 197 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1.304420E-01 2 1033 3.280490E-01 1.245860E-01 1.301230E-01 2 1034 3.283220E-01 1.283120E-01 1.298040E-01 2 1035 3.285960E-01 1.363970E-01 1.294840E-01 2 1036 3.288690E-01 1.383190E-01 1.291660E-01 2 1037 3.291420E-01 1.280500E-01 1.288470E-01 2 1038 3.294160E-01 1.291210E-01 1.285270E-01 2 1039 3.296890E-01 1.252280E-01 1.282080E-01 2 1040 3.299630E-01 1.372080E-01 1.278890E-01 2 1041 3.302360E-01 1.289760E-01 1.276030E-01 2 1042 3.305090E-01 1.309090E-01 1.273230E-01 2 1043 3.307830E-01 1.392820E-01 1.270420E-01 2 1044 3.310560E-01 1.385520E-01 1.267620E-01 2 1045 3.313300E-01 1.446000E-01 1.264810E-01 2 1046 3.316030E-01 1.272630E-01 1.262000E-01 2 1047 3.318760E-01 1.288520E-01 1.259200E-01 2 1048 3.321500E-01 1.256960E-01 1.256390E-01 2 1049 3.324230E-01 1.304370E-01 1.253590E-01 2 1050 3.326970E-01 1.320200E-01 1.250780E-01 2 1051 3.329700E-01 1.403210E-01 1.247980E-01 2 1052 3.332440E-01 1.314280E-01 1.245160E-01 2 1053 3.335170E-01 1.097600E-01 1.242360E-01 2 1054 3.337900E-01 1.090410E-01 1.239560E-01 2 1055 3.340640E-01 1.298440E-01 1.236750E-01 2 1056 3.343370E-01 1.296050E-01 1.233950E-01 2 1057 3.346110E-01 1.200980E-01 1.231130E-01 2 1058 3.348840E-01 1.313830E-01 1.228330E-01 2 1059 3.351570E-01 1.197040E-01 1.225740E-01 2 1060 3.354310E-01 1.177340E-01 1.223300E-01 2 1061 3.357040E-01 1.197780E-01 1.220870E-01 2 1062 3.359780E-01 1.173440E-01 1.218420E-01 2 1063 3.362510E-01 1.355840E-01 1.215990E-01 2 1064 3.365240E-01 1.240350E-01 1.213560E-01 2 1065 3.367980E-01 1.152390E-01 1.211120E-01 2 1066 3.370710E-01 1.222360E-01 1.208680E-01 2 1067 3.373450E-01 1.182950E-01 1.206240E-01 2 1068 3.376180E-01 1.329520E-01 1.203810E-01 2 1069 3.378910E-01 1.225650E-01 1.201370E-01 2 1070 3.381650E-01 1.171930E-01 1.198930E-01 2 1071 3.384380E-01 1.037780E-01 1.196500E-01 2 1072 3.387120E-01 1.223940E-01 1.194050E-01 2 1073 3.389850E-01 1.025620E-01 1.191620E-01 2 1074 3.392580E-01 1.143500E-01 1.189190E-01 2 1075 3.395320E-01 1.134770E-01 1.186750E-01 2 1076 3.398050E-01 1.120940E-01 1.184310E-01 2 1077 3.400790E-01 1.146900E-01 1.181970E-01 2 1078 3.403520E-01 9.520200E-02 1.179880E-01 2 1079 3.406250E-01 1.271620E-01 1.177800E-01 2 1080 3.408990E-01 1.160270E-01 1.175710E-01 2 1081 3.411720E-01 1.159060E-01 1.173620E-01 2 1082 3.414460E-01 1.238290E-01 1.171530E-01 2 1083 3.417190E-01 1.183850E-01 1.169440E-01 2 1084 3.419920E-01 1.153560E-01 1.167360E-01 2 1085 3.422660E-01 1.103570E-01 1.165260E-01 2 1086 3.425390E-01 1.017910E-01 1.163180E-01 2 1087 3.428130E-01 1.328760E-01 1.161080E-01 2 1088 3.430860E-01 1.213660E-01 1.159000E-01 2 1089 3.433590E-01 1.323270E-01 1.156910E-01 2 1090 3.436330E-01 1.210110E-01 1.154820E-01 2 1091 3.439060E-01 1.155050E-01 1.152730E-01 2 1092 3.441800E-01 1.179920E-01 1.150640E-01 2 1093 3.444530E-01 1.108830E-01 1.148550E-01 2 1094 3.447260E-01 1.197800E-01 1.146470E-01 2 1095 3.450000E-01 1.103090E-01 1.144380E-01 2 1096 3.452730E-01 1.227960E-01 1.142610E-01 2 1097 3.455470E-01 1.198690E-01 1.140850E-01 2 1098 3.458200E-01 1.127230E-01 1.139080E-01 2 1099 3.460940E-01 1.127960E-01 1.137320E-01 2 1100 3.463670E-01 1.297200E-01 1.135560E-01 2 1101 3.466400E-01 1.336870E-01 1.133790E-01 2 1102 3.469140E-01 1.068000E-01 1.132030E-01 2 1103 3.471870E-01 1.212820E-01 1.130260E-01 2 1104 3.474610E-01 1.243710E-01 1.128500E-01 2 1105 3.477340E-01 1.252580E-01 1.126730E-01 2 1106 3.480070E-01 1.144530E-01 1.124970E-01 2 1107 3.482810E-01 1.145300E-01 1.123200E-01 2 1108 3.485540E-01 1.335260E-01 1.121440E-01 2 1109 3.488280E-01 1.207940E-01 1.119670E-01 2 1110 3.491010E-01 1.030770E-01 1.117910E-01 2 1111 3.493740E-01 9.739200E-02 1.116150E-01 2 1112 3.496480E-01 9.789820E-02 1.114380E-01 2 1113 3.499210E-01 1.167680E-01 1.112620E-01 2 1114 3.501950E-01 1.151300E-01 1.111070E-01 2 1115 3.504680E-01 1.151950E-01 1.109600E-01 2 1116 3.507410E-01 1.301260E-01 1.108140E-01 2 1117 3.510150E-01 1.246440E-01 1.106670E-01 2 1118 3.512880E-01 8.852300E-02 1.105200E-01 2 1119 3.515620E-01 1.003770E-01 1.103730E-01 2 1120 3.518350E-01 1.165860E-01 1.102270E-01 2 1121 3.521080E-01 1.079430E-01 1.100810E-01 2 1122 3.523820E-01 1.182510E-01 1.099340E-01 2 1123 3.526550E-01 1.125970E-01 1.097870E-01 2 1124 3.529290E-01 1.020430E-01 1.096400E-01 2 1125 3.532020E-01 1.128680E-01 1.094940E-01 2 1126 3.534750E-01 1.085730E-01 1.093480E-01 2 1127 3.537490E-01 9.165010E-02 1.092010E-01 2 1128 3.540220E-01 9.108650E-02 1.090540E-01 2 1129 3.542960E-01 1.225090E-01 1.089070E-01 2 1130 3.545690E-01 1.130400E-01 1.087610E-01 2 1131 3.548420E-01 1.250310E-01 1.086140E-01 2 1132 3.551160E-01 1.260330E-01 1.084790E-01 2 1133 3.553890E-01 1.129330E-01 1.083590E-01 2 1134 3.556630E-01 9.044870E-02 1.082390E-01 2 1135 3.559360E-01 1.002320E-01 1.081200E-01 2 1136 3.562090E-01 1.126640E-01 1.080000E-01 2 1137 3.564830E-01 1.006640E-01 1.078800E-01 2 1138 3.567560E-01 1.040740E-01 1.077610E-01 2 1139 3.570300E-01 9.730270E-02 1.076410E-01 2 1140 3.573030E-01 1.273840E-01 1.075210E-01 2 1141 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1.051790E-01 2 1163 3.635910E-01 1.024500E-01 1.050840E-01 2 1164 3.638650E-01 9.536350E-02 1.049880E-01 2 1165 3.641380E-01 1.081380E-01 1.048920E-01 2 1166 3.644120E-01 1.016170E-01 1.047960E-01 2 1167 3.646850E-01 1.089100E-01 1.047010E-01 2 1168 3.649580E-01 9.710510E-02 1.046050E-01 2 1169 3.652320E-01 9.456560E-02 1.045270E-01 2 1170 3.655050E-01 9.700710E-02 1.044520E-01 2 1171 3.657790E-01 1.205670E-01 1.043770E-01 2 1172 3.660520E-01 1.075660E-01 1.043030E-01 2 1173 3.663250E-01 9.796840E-02 1.042280E-01 2 1174 3.665990E-01 8.842850E-02 1.041530E-01 2 1175 3.668720E-01 8.450790E-02 1.040790E-01 2 1176 3.671460E-01 9.235320E-02 1.040040E-01 2 1177 3.674190E-01 1.081210E-01 1.039290E-01 2 1178 3.676920E-01 1.169430E-01 1.038550E-01 2 1179 3.679660E-01 1.108590E-01 1.037800E-01 2 1180 3.682390E-01 1.000170E-01 1.037050E-01 2 1181 3.685130E-01 8.209930E-02 1.036300E-01 2 1182 3.687860E-01 8.282640E-02 1.035560E-01 2 1183 3.690590E-01 1.058680E-01 1.034810E-01 2 1184 3.693330E-01 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3.753480E-01 8.120550E-02 1.021360E-01 2 1207 3.756210E-01 8.631130E-02 1.020950E-01 2 1208 3.758950E-01 8.133620E-02 1.020530E-01 2 1209 3.761680E-01 1.242490E-01 1.020120E-01 2 1210 3.764410E-01 1.075840E-01 1.019710E-01 2 1211 3.767150E-01 1.152120E-01 1.019290E-01 2 1212 3.769880E-01 9.515350E-02 1.018880E-01 2 1213 3.772620E-01 1.028250E-01 1.018470E-01 2 1214 3.775350E-01 9.824410E-02 1.018050E-01 2 1215 3.778080E-01 8.766900E-02 1.017640E-01 2 1216 3.780820E-01 9.548050E-02 1.017230E-01 2 1217 3.783550E-01 8.778450E-02 1.016810E-01 2 1218 3.786290E-01 8.145780E-02 1.016400E-01 2 1219 3.789020E-01 1.066390E-01 1.015990E-01 2 1220 3.791750E-01 1.063410E-01 1.015570E-01 2 1221 3.794490E-01 1.010650E-01 1.015160E-01 2 1222 3.797220E-01 1.133590E-01 1.014750E-01 2 1223 3.799960E-01 1.152560E-01 1.014330E-01 2 1224 3.802690E-01 8.953100E-02 1.014050E-01 2 1225 3.805420E-01 9.840890E-02 1.013760E-01 2 1226 3.808160E-01 9.743850E-02 1.013470E-01 2 1227 3.810890E-01 1.173220E-01 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1.014850E-01 2 1813 5.413040E-01 1.107570E-01 1.014630E-01 2 1814 5.415780E-01 1.155110E-01 1.014400E-01 2 1815 5.418510E-01 1.107560E-01 1.014170E-01 2 1816 5.421240E-01 1.129080E-01 1.013940E-01 2 1817 5.423980E-01 1.064400E-01 1.013710E-01 2 1818 5.426710E-01 1.151380E-01 1.013480E-01 2 1819 5.429450E-01 1.152880E-01 1.013250E-01 2 1820 5.432180E-01 1.062880E-01 1.013030E-01 2 1821 5.434910E-01 1.063490E-01 1.012800E-01 2 1822 5.437650E-01 1.153730E-01 1.012570E-01 2 1823 5.440380E-01 1.044040E-01 1.012340E-01 2 1824 5.443120E-01 1.025430E-01 1.012110E-01 2 1825 5.445850E-01 9.344240E-02 1.011880E-01 2 1826 5.448580E-01 9.968310E-02 1.011660E-01 2 1827 5.451320E-01 1.011220E-01 1.011410E-01 2 1828 5.454050E-01 1.059730E-01 1.011150E-01 2 1829 5.456790E-01 1.047740E-01 1.010890E-01 2 1830 5.459520E-01 9.101170E-02 1.010630E-01 2 1831 5.462260E-01 1.027610E-01 1.010370E-01 2 1832 5.464990E-01 1.017370E-01 1.010110E-01 2 1833 5.467720E-01 1.052240E-01 1.009850E-01 2 1834 5.470460E-01 1.043530E-01 1.009590E-01 2 1835 5.473190E-01 1.003080E-01 1.009330E-01 2 1836 5.475930E-01 1.038830E-01 1.009070E-01 2 1837 5.478660E-01 9.932010E-02 1.008810E-01 2 1838 5.481390E-01 9.645160E-02 1.008550E-01 2 1839 5.484130E-01 1.016930E-01 1.008290E-01 2 1840 5.486860E-01 1.069340E-01 1.008030E-01 2 1841 5.489600E-01 9.519920E-02 1.007770E-01 2 1842 5.492330E-01 1.051580E-01 1.007510E-01 2 1843 5.495060E-01 1.009910E-01 1.007250E-01 2 1844 5.497800E-01 1.124290E-01 1.006990E-01 2 1845 5.500530E-01 1.151820E-01 1.006720E-01 2 1846 5.503270E-01 1.083190E-01 1.006430E-01 2 1847 5.506000E-01 1.076540E-01 1.006140E-01 2 1848 5.508730E-01 1.061140E-01 1.005850E-01 2 1849 5.511470E-01 1.129490E-01 1.005560E-01 2 1850 5.514200E-01 1.009180E-01 1.005270E-01 2 1851 5.516940E-01 1.029430E-01 1.004980E-01 2 1852 5.519670E-01 1.055250E-01 1.004690E-01 2 1853 5.522400E-01 1.045160E-01 1.004400E-01 2 1854 5.525140E-01 1.101050E-01 1.004110E-01 2 1855 5.527870E-01 1.116790E-01 1.003820E-01 2 1856 5.530610E-01 1.072460E-01 1.003530E-01 2 1857 5.533340E-01 1.092820E-01 1.003240E-01 2 1858 5.536070E-01 1.061090E-01 1.002950E-01 2 1859 5.538810E-01 1.135000E-01 1.002650E-01 2 1860 5.541540E-01 1.111750E-01 1.002360E-01 2 1861 5.544280E-01 1.102290E-01 1.002070E-01 2 1862 5.547010E-01 1.050310E-01 1.001780E-01 2 1863 5.549740E-01 9.751180E-02 1.001490E-01 2 1864 5.552480E-01 9.240590E-02 1.001180E-01 2 1865 5.555210E-01 9.993740E-02 1.000860E-01 2 1866 5.557950E-01 1.067500E-01 1.000540E-01 2 1867 5.560680E-01 1.041730E-01 1.000220E-01 2 1868 5.563410E-01 1.110720E-01 9.998990E-02 2 1869 5.566150E-01 1.081450E-01 9.995790E-02 2 1870 5.568880E-01 1.134900E-01 9.992600E-02 2 1871 5.571620E-01 9.155310E-02 9.989400E-02 2 1872 5.574350E-01 9.495880E-02 9.986210E-02 2 1873 5.577090E-01 1.056320E-01 9.983010E-02 2 1874 5.579820E-01 1.082150E-01 9.979820E-02 2 1875 5.582550E-01 1.053340E-01 9.976630E-02 2 1876 5.585290E-01 9.851250E-02 9.973430E-02 2 1877 5.588020E-01 1.073410E-01 9.970240E-02 2 1878 5.590760E-01 1.156420E-01 9.967040E-02 2 1879 5.593490E-01 1.150490E-01 9.963850E-02 2 1880 5.596220E-01 1.109960E-01 9.960660E-02 2 1881 5.598960E-01 1.130320E-01 9.957460E-02 2 1882 5.601690E-01 1.098750E-01 9.954110E-02 2 1883 5.604430E-01 1.029870E-01 9.950640E-02 2 1884 5.607160E-01 1.064460E-01 9.947190E-02 2 1885 5.609890E-01 1.108880E-01 9.943730E-02 2 1886 5.612630E-01 1.042240E-01 9.940260E-02 2 1887 5.615360E-01 1.027920E-01 9.936810E-02 2 1888 5.618100E-01 1.012300E-01 9.933340E-02 2 1889 5.620830E-01 9.055960E-02 9.929880E-02 2 1890 5.623560E-01 9.609290E-02 9.926430E-02 2 1891 5.626300E-01 8.934200E-02 9.922960E-02 2 1892 5.629030E-01 1.004070E-01 9.919500E-02 2 1893 5.631770E-01 9.968920E-02 9.916030E-02 2 1894 5.634500E-01 1.048910E-01 9.912580E-02 2 1895 5.637230E-01 9.991510E-02 9.909120E-02 2 1896 5.639970E-01 9.402790E-02 9.905650E-02 2 1897 5.642700E-01 9.835710E-02 9.902200E-02 2 1898 5.645440E-01 1.111980E-01 9.898730E-02 2 1899 5.648170E-01 1.085100E-01 9.895270E-02 2 1900 5.650900E-01 1.010240E-01 9.891740E-02 2 1901 5.653640E-01 9.866010E-02 9.888020E-02 2 1902 5.656370E-01 1.045890E-01 9.884330E-02 2 1903 5.659110E-01 1.103830E-01 9.880610E-02 2 1904 5.661840E-01 8.851330E-02 9.876920E-02 2 1905 5.664570E-01 9.856520E-02 9.873220E-02 2 1906 5.667310E-01 9.276990E-02 9.869510E-02 2 1907 5.670040E-01 9.836500E-02 9.865810E-02 2 1908 5.672780E-01 9.682230E-02 9.862100E-02 2 1909 5.675510E-01 9.861070E-02 9.858400E-02 2 1910 5.678240E-01 9.992280E-02 9.854700E-02 2 1911 5.680980E-01 9.790490E-02 9.850990E-02 2 1912 5.683710E-01 9.123280E-02 9.847290E-02 2 1913 5.686450E-01 1.071040E-01 9.843580E-02 2 1914 5.689180E-01 1.125800E-01 9.839880E-02 2 1915 5.691910E-01 1.053390E-01 9.836180E-02 2 1916 5.694650E-01 1.092080E-01 9.832470E-02 2 1917 5.697380E-01 8.884020E-02 9.828770E-02 2 1918 5.700120E-01 8.707980E-02 9.825050E-02 2 1919 5.702850E-01 9.421730E-02 9.821130E-02 2 1920 5.705590E-01 1.050950E-01 9.817200E-02 2 1921 5.708320E-01 9.707360E-02 9.813290E-02 2 1922 5.711050E-01 1.068790E-01 9.809380E-02 2 1923 5.713790E-01 9.688230E-02 9.805450E-02 2 1924 5.716520E-01 9.011610E-02 9.801530E-02 2 1925 5.719260E-01 1.003330E-01 9.797610E-02 2 1926 5.721990E-01 1.023460E-01 9.793690E-02 2 1927 5.724720E-01 1.047430E-01 9.789780E-02 2 1928 5.727460E-01 1.034080E-01 9.785850E-02 2 1929 5.730190E-01 1.051020E-01 9.781930E-02 2 1930 5.732930E-01 1.039070E-01 9.778010E-02 2 1931 5.735660E-01 1.156460E-01 9.774090E-02 2 1932 5.738390E-01 9.998900E-02 9.770180E-02 2 1933 5.741130E-01 9.512000E-02 9.766250E-02 2 1934 5.743860E-01 9.557330E-02 9.762330E-02 2 1935 5.746600E-01 9.832280E-02 9.758410E-02 2 1936 5.749330E-01 9.628150E-02 9.754490E-02 2 1937 5.752060E-01 9.813450E-02 9.750440E-02 2 1938 5.754800E-01 9.456290E-02 9.746320E-02 2 1939 5.757530E-01 1.056310E-01 9.742220E-02 2 1940 5.760270E-01 1.022380E-01 9.738100E-02 2 1941 5.763000E-01 1.006170E-01 9.734000E-02 2 1942 5.765730E-01 1.104580E-01 9.729900E-02 2 1943 5.768470E-01 1.044590E-01 9.725780E-02 2 1944 5.771200E-01 1.034670E-01 9.721680E-02 2 1945 5.773940E-01 9.901560E-02 9.717560E-02 2 1946 5.776670E-01 1.004650E-01 9.713460E-02 2 1947 5.779400E-01 1.019490E-01 9.709360E-02 2 1948 5.782140E-01 1.037350E-01 9.705250E-02 2 1949 5.784870E-01 9.307280E-02 9.701140E-02 2 1950 5.787610E-01 9.153630E-02 9.697030E-02 2 1951 5.790340E-01 9.453690E-02 9.692930E-02 2 1952 5.793070E-01 9.274680E-02 9.688820E-02 2 1953 5.795810E-01 8.835980E-02 9.684710E-02 2 1954 5.798540E-01 9.377590E-02 9.680610E-02 2 1955 5.801280E-01 9.896950E-02 9.676420E-02 2 1956 5.804010E-01 9.799000E-02 9.672160E-02 2 1957 5.806740E-01 1.056180E-01 9.667900E-02 2 1958 5.809480E-01 1.018520E-01 9.663620E-02 2 1959 5.812210E-01 1.085710E-01 9.659360E-02 2 1960 5.814950E-01 1.015270E-01 9.655090E-02 2 1961 5.817680E-01 9.489350E-02 9.650830E-02 2 1962 5.820410E-01 9.522570E-02 9.646570E-02 2 1963 5.823150E-01 9.313280E-02 9.642300E-02 2 1964 5.825880E-01 1.017610E-01 9.638040E-02 2 1965 5.828620E-01 9.820290E-02 9.633760E-02 2 1966 5.831350E-01 1.077140E-01 9.629500E-02 2 1967 5.834090E-01 1.051380E-01 9.625230E-02 2 1968 5.836820E-01 9.971660E-02 9.620970E-02 2 1969 5.839550E-01 1.000120E-01 9.616710E-02 2 1970 5.842290E-01 1.035910E-01 9.612430E-02 2 1971 5.845020E-01 9.933450E-02 9.608170E-02 2 1972 5.847760E-01 9.222530E-02 9.603900E-02 2 1973 5.850490E-01 9.383400E-02 9.599620E-02 2 1974 5.853220E-01 9.787550E-02 9.595230E-02 2 1975 5.855960E-01 9.781840E-02 9.590830E-02 2 1976 5.858690E-01 1.027530E-01 9.586440E-02 2 1977 5.861430E-01 9.521600E-02 9.582040E-02 2 1978 5.864160E-01 1.079060E-01 9.577650E-02 2 1979 5.866890E-01 9.758570E-02 9.573260E-02 2 1980 5.869630E-01 9.728430E-02 9.568860E-02 2 1981 5.872360E-01 1.037200E-01 9.564470E-02 2 1982 5.875100E-01 1.058040E-01 9.560070E-02 2 1983 5.877830E-01 9.668410E-02 9.555680E-02 2 1984 5.880560E-01 9.727980E-02 9.551290E-02 2 1985 5.883300E-01 1.000340E-01 9.546890E-02 2 1986 5.886030E-01 1.060340E-01 9.542500E-02 2 1987 5.888770E-01 9.290420E-02 9.538100E-02 2 1988 5.891500E-01 1.036130E-01 9.533710E-02 2 1989 5.894230E-01 1.162880E-01 9.529320E-02 2 1990 5.896970E-01 1.000370E-01 9.524920E-02 2 1991 5.899700E-01 9.282430E-02 9.520530E-02 2 1992 5.902440E-01 1.020210E-01 9.516040E-02 2 1993 5.905170E-01 1.029340E-01 9.511550E-02 2 1994 5.907900E-01 9.235750E-02 9.507060E-02 2 1995 5.910640E-01 9.966650E-02 9.502560E-02 2 1996 5.913370E-01 9.588910E-02 9.498070E-02 2 1997 5.916110E-01 9.769720E-02 9.493570E-02 2 1998 5.918840E-01 1.035610E-01 9.489080E-02 2 1999 5.921570E-01 9.808600E-02 9.484590E-02 2 2000 5.924310E-01 9.501500E-02 9.480090E-02 2 2001 5.927040E-01 9.477090E-02 9.475600E-02 2 2002 5.929780E-01 8.345790E-02 9.471100E-02 2 2003 5.932510E-01 9.366130E-02 9.466610E-02 2 2004 5.935240E-01 1.026110E-01 9.462130E-02 2 2005 5.937980E-01 9.234770E-02 9.457620E-02 2 2006 5.940710E-01 9.318480E-02 9.453130E-02 2 2007 5.943450E-01 9.630030E-02 9.448630E-02 2 2008 5.946180E-01 9.499900E-02 9.444140E-02 2 2009 5.948920E-01 1.036710E-01 9.439640E-02 2 2010 5.951650E-01 1.044010E-01 9.435110E-02 2 2011 5.954380E-01 9.476880E-02 9.430550E-02 2 2012 5.957120E-01 8.939240E-02 9.425970E-02 2 2013 5.959850E-01 9.379010E-02 9.421410E-02 2 2014 5.962590E-01 9.577850E-02 9.416840E-02 2 2015 5.965320E-01 1.027050E-01 9.412280E-02 2 2016 5.968050E-01 9.671420E-02 9.407720E-02 2 2017 5.970790E-01 9.606670E-02 9.403140E-02 2 2018 5.973520E-01 9.181470E-02 9.398580E-02 2 2019 5.976260E-01 9.950010E-02 9.394010E-02 2 2020 5.983730E-01 9.471930E-02 9.381530E-02 2 2021 5.992980E-01 9.059620E-02 9.366080E-02 2 2022 6.002230E-01 8.555370E-02 9.350590E-02 2 2023 6.011490E-01 8.980970E-02 9.334960E-02 2 2024 6.020740E-01 9.954560E-02 9.319350E-02 2 2025 6.030000E-01 9.502520E-02 9.303730E-02 2 2026 6.039250E-01 1.063950E-01 9.288120E-02 2 2027 6.048500E-01 1.040370E-01 9.272510E-02 2 2028 6.057760E-01 9.286000E-02 9.256810E-02 2 2029 6.067010E-01 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6.270600E-01 8.392330E-02 8.896390E-02 2 2052 6.279860E-01 9.269470E-02 8.880860E-02 2 2053 6.289110E-01 8.901090E-02 8.865330E-02 2 2054 6.298370E-01 8.701960E-02 8.849800E-02 2 2055 6.307620E-01 8.734900E-02 8.834370E-02 2 2056 6.316870E-01 9.296210E-02 8.818960E-02 2 2057 6.326130E-01 8.940220E-02 8.803530E-02 2 2058 6.335380E-01 8.771770E-02 8.788120E-02 2 2059 6.344640E-01 8.979390E-02 8.772690E-02 2 2060 6.353890E-01 8.764700E-02 8.757330E-02 2 2061 6.363140E-01 9.192460E-02 8.742030E-02 2 2062 6.372400E-01 8.991640E-02 8.726710E-02 2 2063 6.381650E-01 9.381160E-02 8.711410E-02 2 2064 6.390910E-01 9.028110E-02 8.696090E-02 2 2065 6.400160E-01 8.583920E-02 8.680790E-02 2 2066 6.409420E-01 8.406780E-02 8.665570E-02 2 2067 6.418670E-01 8.314650E-02 8.650370E-02 2 2068 6.427920E-01 8.273000E-02 8.635170E-02 2 2069 6.437180E-01 7.990730E-02 8.619950E-02 2 2070 6.446430E-01 8.386510E-02 8.604750E-02 2 2071 6.455690E-01 8.098200E-02 8.589580E-02 2 2072 6.464940E-01 9.077410E-02 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9.871210E-02 2 2853 1.371090E+00 1.032150E-01 9.863950E-02 2 2854 1.372020E+00 1.088310E-01 9.856610E-02 2 2855 1.372940E+00 1.038250E-01 9.849340E-02 2 2856 1.373870E+00 1.065730E-01 9.842000E-02 2 2857 1.374790E+00 9.489850E-02 9.834730E-02 2 2858 1.375720E+00 1.076220E-01 9.827070E-02 2 2859 1.376640E+00 1.031540E-01 9.819400E-02 2 2860 1.377570E+00 1.035860E-01 9.811650E-02 2 2861 1.378490E+00 1.096020E-01 9.803980E-02 2 2862 1.379420E+00 9.822840E-02 9.796220E-02 2 2863 1.380350E+00 8.967370E-02 9.788370E-02 2 2864 1.381270E+00 9.353730E-02 9.780420E-02 2 2865 1.382200E+00 1.026110E-01 9.772390E-02 2 2866 1.383120E+00 1.032850E-01 9.764440E-02 2 2867 1.384050E+00 9.126810E-02 9.756410E-02 2 2868 1.384970E+00 9.890690E-02 9.748470E-02 2 2869 1.385900E+00 9.511400E-02 9.740280E-02 2 2870 1.386820E+00 9.701700E-02 9.732180E-02 2 2871 1.387750E+00 1.078370E-01 9.723990E-02 2 2872 1.388670E+00 1.021030E-01 9.715880E-02 2 2873 1.389600E+00 9.561260E-02 9.707690E-02 2 2874 1.390530E+00 1.005660E-01 9.699470E-02 2 2875 1.391450E+00 1.051270E-01 9.691320E-02 2 2876 1.392380E+00 9.952710E-02 9.683070E-02 2 2877 1.393300E+00 1.033510E-01 9.674920E-02 2 2878 1.394230E+00 9.403820E-02 9.666670E-02 2 2879 1.395150E+00 9.039430E-02 9.658520E-02 2 2880 1.396080E+00 8.751520E-02 9.650320E-02 2 2881 1.397000E+00 9.229110E-02 9.642200E-02 2 2882 1.397930E+00 9.917220E-02 9.633990E-02 2 2883 1.398850E+00 1.000280E-01 9.625870E-02 2 2884 1.399780E+00 9.762380E-02 9.617670E-02 2 2885 1.400700E+00 1.096540E-01 9.609640E-02 2 2886 1.401630E+00 1.013840E-01 9.601550E-02 2 2887 1.402560E+00 9.729310E-02 9.593460E-02 2 2888 1.403480E+00 8.928860E-02 9.585450E-02 2 2889 1.404410E+00 8.707670E-02 9.577360E-02 2 2890 1.405330E+00 9.814980E-02 9.569420E-02 2 2891 1.406260E+00 9.125150E-02 9.561510E-02 2 2892 1.407180E+00 1.076940E-01 9.553680E-02 2 2893 1.408110E+00 1.000940E-01 9.545770E-02 2 2894 1.409030E+00 9.567600E-02 9.537940E-02 2 2895 1.409960E+00 1.027450E-01 9.530030E-02 2 2896 1.410880E+00 8.748350E-02 9.522410E-02 2 2897 1.411810E+00 9.510840E-02 9.514720E-02 2 2898 1.412730E+00 8.648030E-02 9.507120E-02 2 2899 1.413660E+00 9.293680E-02 9.499430E-02 2 2900 1.414590E+00 9.117490E-02 9.491740E-02 2 2901 1.415510E+00 8.761410E-02 9.484280E-02 2 2902 1.416440E+00 9.496300E-02 9.476850E-02 2 2903 1.417360E+00 9.729850E-02 9.469490E-02 2 2904 1.418290E+00 9.210610E-02 9.462060E-02 2 2905 1.419210E+00 1.026980E-01 9.454710E-02 2 2906 1.420140E+00 9.653780E-02 9.447320E-02 2 2907 1.421060E+00 9.207310E-02 9.440240E-02 2 2908 1.421990E+00 9.259990E-02 9.433090E-02 2 2909 1.422910E+00 1.040740E-01 9.426010E-02 2 2910 1.423840E+00 1.042540E-01 9.418860E-02 2 2911 1.424770E+00 9.452510E-02 9.411700E-02 2 2912 1.425690E+00 9.605110E-02 9.404830E-02 2 2913 1.426620E+00 9.581360E-02 9.397960E-02 2 2914 1.427540E+00 1.043430E-01 9.391160E-02 2 2915 1.428470E+00 1.060030E-01 9.384290E-02 2 2916 1.429390E+00 9.676690E-02 9.377490E-02 2 2917 1.430320E+00 8.819380E-02 9.370720E-02 2 2918 1.431240E+00 8.137290E-02 9.364190E-02 2 2919 1.432170E+00 8.908890E-02 9.357600E-02 2 2920 1.433090E+00 9.249300E-02 9.351080E-02 2 2921 1.434020E+00 9.256510E-02 9.344490E-02 2 2922 1.434940E+00 8.308670E-02 9.337960E-02 2 2923 1.435870E+00 9.449370E-02 9.331620E-02 2 2924 1.436800E+00 1.035930E-01 9.325290E-02 2 2925 1.437720E+00 9.096990E-02 9.319030E-02 2 2926 1.438650E+00 8.811280E-02 9.312700E-02 2 2927 1.439570E+00 8.917120E-02 9.306440E-02 2 2928 1.440500E+00 8.689670E-02 9.300240E-02 2 2929 1.441420E+00 8.513100E-02 9.294220E-02 2 2930 1.442350E+00 9.460880E-02 9.288130E-02 2 2931 1.443270E+00 9.537660E-02 9.282110E-02 2 2932 1.444200E+00 8.448620E-02 9.276030E-02 2 2933 1.445120E+00 8.940980E-02 9.270030E-02 2 2934 1.446050E+00 9.421590E-02 9.264160E-02 2 2935 1.446980E+00 8.921660E-02 9.258290E-02 2 2936 1.447900E+00 8.754880E-02 9.252480E-02 2 2937 1.448830E+00 1.043840E-01 9.246610E-02 2 2938 1.449750E+00 8.944460E-02 9.240800E-02 2 2939 1.450680E+00 9.700150E-02 9.235060E-02 2 2940 1.451600E+00 9.392140E-02 9.229430E-02 2 2941 1.452530E+00 9.762200E-02 9.223740E-02 2 2942 1.453450E+00 8.517900E-02 9.218110E-02 2 2943 1.454380E+00 7.809270E-02 9.212420E-02 2 2944 1.455300E+00 8.930420E-02 9.206840E-02 2 2945 1.456230E+00 9.063280E-02 9.201300E-02 2 2946 1.457150E+00 7.610140E-02 9.195810E-02 2 2947 1.458080E+00 8.210420E-02 9.190270E-02 2 2948 1.459010E+00 9.518840E-02 9.184730E-02 2 2949 1.459930E+00 9.000090E-02 9.179240E-02 2 2950 1.460860E+00 9.466510E-02 9.173800E-02 2 2951 1.461780E+00 9.222040E-02 9.168420E-02 2 2952 1.462710E+00 9.173760E-02 9.162990E-02 2 2953 1.463630E+00 1.011730E-01 9.157610E-02 2 2954 1.464560E+00 8.604020E-02 9.152180E-02 2 2955 1.465480E+00 8.785450E-02 9.146840E-02 2 2956 1.466410E+00 8.236540E-02 9.141480E-02 2 2957 1.467330E+00 7.466650E-02 9.136170E-02 2 2958 1.468260E+00 8.440760E-02 9.130810E-02 2 2959 1.469190E+00 8.552640E-02 9.125450E-02 2 2960 1.470110E+00 8.361300E-02 9.120150E-02 2 2961 1.471040E+00 8.573450E-02 9.114820E-02 2 2962 1.471960E+00 8.805580E-02 9.109550E-02 2 2963 1.472890E+00 9.394510E-02 9.104230E-02 2 2964 1.473810E+00 8.855950E-02 9.098960E-02 2 2965 1.474740E+00 9.488850E-02 9.093630E-02 2 2966 1.475660E+00 9.388420E-02 9.088360E-02 2 2967 1.476590E+00 9.025030E-02 9.083040E-02 2 2968 1.477510E+00 7.590510E-02 9.077780E-02 2 2969 1.478440E+00 9.173700E-02 9.072450E-02 2 2970 1.479360E+00 8.415680E-02 9.067190E-02 2 2971 1.480290E+00 7.947160E-02 9.061860E-02 2 2972 1.481220E+00 8.187320E-02 9.056510E-02 2 2973 1.482140E+00 8.534830E-02 9.051210E-02 2 2974 1.483070E+00 8.164250E-02 9.045870E-02 2 2975 1.483990E+00 7.596080E-02 9.040570E-02 2 2976 1.484920E+00 7.624350E-02 9.035220E-02 2 2977 1.485840E+00 7.638750E-02 9.029880E-02 2 2978 1.486770E+00 7.586330E-02 9.024480E-02 2 2979 1.487690E+00 7.384180E-02 9.019130E-02 2 2980 1.488620E+00 7.492430E-02 9.013730E-02 2 2981 1.489540E+00 7.794570E-02 9.008390E-02 2 2982 1.490470E+00 7.695840E-02 9.002950E-02 2 2983 1.491390E+00 8.618240E-02 8.997530E-02 2 2984 1.492320E+00 8.261700E-02 8.992050E-02 2 2985 1.493250E+00 8.722970E-02 8.986570E-02 2 2986 1.494170E+00 8.364790E-02 8.981150E-02 2 2987 1.495100E+00 7.355300E-02 8.975660E-02 2 2988 1.496020E+00 7.921690E-02 8.970150E-02 2 2989 1.496950E+00 8.453230E-02 8.964580E-02 2 2990 1.497870E+00 8.213500E-02 8.959070E-02 2 2991 1.498800E+00 6.954050E-02 8.953490E-02 2 2992 1.499720E+00 7.114630E-02 8.947980E-02 # data_SASDAN2_MODEL_25 # _sas_model.id 25 _sas_model.type_of_model dummy _sas_model.version . _sas_model.symmetry P1 _sas_model.comment "Gasbori run 10 times, damsel identified structure with lowest NSD" _sas_model.fitting_id 1 _sas_model.radius 1.90 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 . CA . ASP . 25 1 . -8.782 -15.321 -0.973 1.00 20.00 ? ? ? ? ? . 1 ASP . CA 25 ATOM 2 . CA . ASP . 25 2 . -5.826 -8.613 -15.582 1.00 20.00 ? ? ? ? ? . 2 ASP . CA 25 ATOM 3 . CA . ASP . 25 3 . 3.323 -3.904 -7.998 1.00 20.00 ? ? ? ? ? . 3 ASP . CA 25 ATOM 4 . CA . ASP . 25 4 . -8.651 -17.778 5.381 1.00 20.00 ? ? ? ? ? . 4 ASP . CA 25 ATOM 5 . CA . ASP . 25 5 . 10.103 2.469 1.890 1.00 20.00 ? ? ? ? ? . 5 ASP . CA 25 ATOM 6 . CA . ASP . 25 6 . -0.428 -4.343 5.667 1.00 20.00 ? ? ? ? ? . 6 ASP . CA 25 ATOM 7 . CA . ASP . 25 7 . 0.000 7.246 7.561 1.00 20.00 ? ? ? ? ? . 7 ASP . CA 25 ATOM 8 . CA . ASP . 25 8 . 8.531 1.640 -5.897 1.00 20.00 ? ? ? ? ? . 8 ASP . CA 25 ATOM 9 . CA . ASP . 25 9 . 0.774 6.264 -7.828 1.00 20.00 ? ? ? ? ? . 9 ASP . CA 25 ATOM 10 . CA . ASP . 25 10 . -5.642 -10.708 -4.758 1.00 20.00 ? ? ? ? ? . 10 ASP . CA 25 ATOM 11 . CA . ASP . 25 11 . -11.504 -20.040 4.293 1.00 20.00 ? ? ? ? ? . 11 ASP . CA 25 ATOM 12 . CA . ASP . 25 12 . 8.687 6.111 -1.325 1.00 20.00 ? ? ? ? ? . 12 ASP . CA 25 ATOM 13 . CA . ASP . 25 13 . -2.715 0.799 4.943 1.00 20.00 ? ? ? ? ? . 13 ASP . CA 25 ATOM 14 . CA . ASP . 25 14 . -1.277 -5.007 -11.959 1.00 20.00 ? ? ? ? ? . 14 ASP . CA 25 ATOM 15 . CA . ASP . 25 15 . 4.172 23.779 -0.119 1.00 20.00 ? ? ? ? ? . 15 ASP . CA 25 ATOM 16 . CA . ASP . 25 16 . 0.992 22.103 -1.125 1.00 20.00 ? ? ? ? ? . 16 ASP . CA 25 ATOM 17 . CA . ASP . 25 17 . 7.311 14.734 -1.509 1.00 20.00 ? ? ? ? ? . 17 ASP . CA 25 ATOM 18 . CA . ASP . 25 18 . 3.876 5.007 4.629 1.00 20.00 ? ? ? ? ? . 18 ASP . CA 25 ATOM 19 . CA . ASP . 25 19 . 4.419 0.340 -10.471 1.00 20.00 ? ? ? ? ? . 19 ASP . CA 25 ATOM 20 . CA . ASP . 25 20 . -1.786 -15.006 -10.182 1.00 20.00 ? ? ? ? ? . 20 ASP . CA 25 ATOM 21 . CA . ASP . 25 21 . 7.992 7.212 6.291 1.00 20.00 ? ? ? ? ? . 21 ASP . CA 25 ATOM 22 . CA . ASP . 25 22 . -0.171 -22.273 2.253 1.00 20.00 ? ? ? ? ? . 22 ASP . CA 25 ATOM 23 . CA . ASP . 25 23 . 7.561 19.419 -6.812 1.00 20.00 ? ? ? ? ? . 23 ASP . CA 25 ATOM 24 . CA . ASP . 25 24 . -1.525 7.452 2.085 1.00 20.00 ? ? ? ? ? . 24 ASP . CA 25 ATOM 25 . CA . ASP . 25 25 . -8.083 -21.714 4.272 1.00 20.00 ? ? ? ? ? . 25 ASP . CA 25 ATOM 26 . CA . ASP . 25 26 . 6.390 19.098 -0.069 1.00 20.00 ? ? ? ? ? . 26 ASP . CA 25 ATOM 27 . CA . ASP . 25 27 . 5.837 13.771 -4.876 1.00 20.00 ? ? ? ? ? . 27 ASP . CA 25 ATOM 28 . CA . ASP . 25 28 . 3.307 -4.303 -3.879 1.00 20.00 ? ? ? ? ? . 28 ASP . CA 25 ATOM 29 . CA . ASP . 25 29 . 2.365 3.847 8.842 1.00 20.00 ? ? ? ? ? . 29 ASP . CA 25 ATOM 30 . CA . ASP . 25 30 . -4.829 5.973 -1.686 1.00 20.00 ? ? ? ? ? . 30 ASP . CA 25 ATOM 31 . CA . ASP . 25 31 . -8.178 -9.482 5.208 1.00 20.00 ? ? ? ? ? . 31 ASP . CA 25 ATOM 32 . CA . ASP . 25 32 . -7.685 -16.259 -6.570 1.00 20.00 ? ? ? ? ? . 32 ASP . CA 25 ATOM 33 . CA . ASP . 25 33 . -6.434 -10.928 -8.537 1.00 20.00 ? ? ? ? ? . 33 ASP . CA 25 ATOM 34 . CA . ASP . 25 34 . -3.623 -1.006 -9.818 1.00 20.00 ? ? ? ? ? . 34 ASP . CA 25 ATOM 35 . CA . ASP . 25 35 . -13.900 -14.952 5.338 1.00 20.00 ? ? ? ? ? . 35 ASP . CA 25 ATOM 36 . CA . ASP . 25 36 . -5.256 2.173 -6.536 1.00 20.00 ? ? ? ? ? . 36 ASP . CA 25 ATOM 37 . CA . ASP . 25 37 . -10.293 -16.646 8.555 1.00 20.00 ? ? ? ? ? . 37 ASP . CA 25 ATOM 38 . CA . ASP . 25 38 . 8.451 9.904 -1.278 1.00 20.00 ? ? ? ? ? . 38 ASP . CA 25 ATOM 39 . CA . ASP . 25 39 . 6.483 -3.751 -5.893 1.00 20.00 ? ? ? ? ? . 39 ASP . CA 25 ATOM 40 . CA . ASP . 25 40 . -0.030 7.432 -3.998 1.00 20.00 ? ? ? ? ? . 40 ASP . CA 25 ATOM 41 . CA . ASP . 25 41 . -6.473 -0.720 -2.540 1.00 20.00 ? ? ? ? ? . 41 ASP . CA 25 ATOM 42 . CA . ASP . 25 42 . 2.275 11.564 -1.299 1.00 20.00 ? ? ? ? ? . 42 ASP . CA 25 ATOM 43 . CA . ASP . 25 43 . 1.753 -2.817 -11.284 1.00 20.00 ? ? ? ? ? . 43 ASP . CA 25 ATOM 44 . CA . ASP . 25 44 . -7.099 -13.599 -3.920 1.00 20.00 ? ? ? ? ? . 44 ASP . CA 25 ATOM 45 . CA . ASP . 25 45 . 1.760 -10.633 -8.725 1.00 20.00 ? ? ? ? ? . 45 ASP . CA 25 ATOM 46 . CA . ASP . 25 46 . 5.157 16.824 -8.200 1.00 20.00 ? ? ? ? ? . 46 ASP . CA 25 ATOM 47 . CA . ASP . 25 47 . 6.690 10.605 7.399 1.00 20.00 ? ? ? ? ? . 47 ASP . CA 25 ATOM 48 . CA . ASP . 25 48 . -1.038 12.891 -2.603 1.00 20.00 ? ? ? ? ? . 48 ASP . CA 25 ATOM 49 . CA . ASP . 25 49 . 3.023 21.378 -4.254 1.00 20.00 ? ? ? ? ? . 49 ASP . CA 25 ATOM 50 . CA . ASP . 25 50 . 5.112 21.854 -7.393 1.00 20.00 ? ? ? ? ? . 50 ASP . CA 25 ATOM 51 . CA . ASP . 25 51 . -10.785 -10.241 2.908 1.00 20.00 ? ? ? ? ? . 51 ASP . CA 25 ATOM 52 . CA . ASP . 25 52 . 2.610 0.922 -7.180 1.00 20.00 ? ? ? ? ? . 52 ASP . CA 25 ATOM 53 . CA . ASP . 25 53 . 8.823 0.369 -1.006 1.00 20.00 ? ? ? ? ? . 53 ASP . CA 25 ATOM 54 . CA . ASP . 25 54 . 1.988 -11.116 -3.098 1.00 20.00 ? ? ? ? ? . 54 ASP . CA 25 ATOM 55 . CA . ASP . 25 55 . 0.644 -15.281 -0.168 1.00 20.00 ? ? ? ? ? . 55 ASP . CA 25 ATOM 56 . CA . ASP . 25 56 . -3.244 -15.059 8.887 1.00 20.00 ? ? ? ? ? . 56 ASP . CA 25 ATOM 57 . CA . ASP . 25 57 . -9.275 -2.996 -1.275 1.00 20.00 ? ? ? ? ? . 57 ASP . CA 25 ATOM 58 . CA . ASP . 25 58 . -5.091 -18.235 -3.370 1.00 20.00 ? ? ? ? ? . 58 ASP . CA 25 ATOM 59 . CA . ASP . 25 59 . 1.384 -1.896 7.940 1.00 20.00 ? ? ? ? ? . 59 ASP . CA 25 ATOM 60 . CA . ASP . 25 60 . -2.330 -7.612 -16.686 1.00 20.00 ? ? ? ? ? . 60 ASP . CA 25 ATOM 61 . CA . ASP . 25 61 . 0.410 -14.387 -13.221 1.00 20.00 ? ? ? ? ? . 61 ASP . CA 25 ATOM 62 . CA . ASP . 25 62 . 7.428 14.363 2.271 1.00 20.00 ? ? ? ? ? . 62 ASP . CA 25 ATOM 63 . CA . ASP . 25 63 . -5.862 -6.941 -12.596 1.00 20.00 ? ? ? ? ? . 63 ASP . CA 25 ATOM 64 . CA . ASP . 25 64 . 3.522 7.683 8.920 1.00 20.00 ? ? ? ? ? . 64 ASP . CA 25 ATOM 65 . CA . ASP . 25 65 . -12.788 -15.508 1.747 1.00 20.00 ? ? ? ? ? . 65 ASP . CA 25 ATOM 66 . CA . ASP . 25 66 . 2.004 -6.500 -0.307 1.00 20.00 ? ? ? ? ? . 66 ASP . CA 25 ATOM 67 . CA . ASP . 25 67 . 3.956 12.290 5.337 1.00 20.00 ? ? ? ? ? . 67 ASP . CA 25 ATOM 68 . CA . ASP . 25 68 . 7.952 -3.731 -0.332 1.00 20.00 ? ? ? ? ? . 68 ASP . CA 25 ATOM 69 . CA . ASP . 25 69 . -2.701 -11.611 -8.742 1.00 20.00 ? ? ? ? ? . 69 ASP . CA 25 ATOM 70 . CA . ASP . 25 70 . -0.606 10.494 -8.027 1.00 20.00 ? ? ? ? ? . 70 ASP . CA 25 ATOM 71 . CA . ASP . 25 71 . -8.400 -8.575 -3.247 1.00 20.00 ? ? ? ? ? . 71 ASP . CA 25 ATOM 72 . CA . ASP . 25 72 . 5.700 -6.659 0.560 1.00 20.00 ? ? ? ? ? . 72 ASP . CA 25 ATOM 73 . CA . ASP . 25 73 . 5.468 3.889 -5.907 1.00 20.00 ? ? ? ? ? . 73 ASP . CA 25 ATOM 74 . CA . ASP . 25 74 . -3.688 8.381 -4.396 1.00 20.00 ? ? ? ? ? . 74 ASP . CA 25 ATOM 75 . CA . ASP . 25 75 . -0.239 1.160 9.510 1.00 20.00 ? ? ? ? ? . 75 ASP . CA 25 ATOM 76 . CA . ASP . 25 76 . -4.738 -18.586 -7.138 1.00 20.00 ? ? ? ? ? . 76 ASP . CA 25 ATOM 77 . CA . ASP . 25 77 . 7.545 13.869 -8.155 1.00 20.00 ? ? ? ? ? . 77 ASP . CA 25 ATOM 78 . CA . ASP . 25 78 . -3.795 -23.101 1.463 1.00 20.00 ? ? ? ? ? . 78 ASP . CA 25 ATOM 79 . CA . ASP . 25 79 . -0.971 -17.865 5.861 1.00 20.00 ? ? ? ? ? . 79 ASP . CA 25 ATOM 80 . CA . ASP . 25 80 . 4.175 -11.134 1.740 1.00 20.00 ? ? ? ? ? . 80 ASP . CA 25 ATOM 81 . CA . ASP . 25 81 . 1.149 -2.974 -1.048 1.00 20.00 ? ? ? ? ? . 81 ASP . CA 25 ATOM 82 . CA . ASP . 25 82 . -4.164 -1.326 2.146 1.00 20.00 ? ? ? ? ? . 82 ASP . CA 25 ATOM 83 . CA . ASP . 25 83 . 10.815 18.079 -8.247 1.00 20.00 ? ? ? ? ? . 83 ASP . CA 25 ATOM 84 . CA . ASP . 25 84 . -5.087 -20.488 2.282 1.00 20.00 ? ? ? ? ? . 84 ASP . CA 25 ATOM 85 . CA . ASP . 25 85 . -1.011 -10.293 6.090 1.00 20.00 ? ? ? ? ? . 85 ASP . CA 25 ATOM 86 . CA . ASP . 25 86 . 9.385 5.992 3.122 1.00 20.00 ? ? ? ? ? . 86 ASP . CA 25 ATOM 87 . CA . ASP . 25 87 . -5.146 -18.012 10.033 1.00 20.00 ? ? ? ? ? . 87 ASP . CA 25 ATOM 88 . CA . ASP . 25 88 . -7.887 -2.084 2.204 1.00 20.00 ? ? ? ? ? . 88 ASP . CA 25 ATOM 89 . CA . ASP . 25 89 . -4.052 -11.445 9.742 1.00 20.00 ? ? ? ? ? . 89 ASP . CA 25 ATOM 90 . CA . ASP . 25 90 . 3.671 12.788 1.581 1.00 20.00 ? ? ? ? ? . 90 ASP . CA 25 ATOM 91 . CA . ASP . 25 91 . -8.398 5.605 -2.938 1.00 20.00 ? ? ? ? ? . 91 ASP . CA 25 ATOM 92 . CA . ASP . 25 92 . -11.287 -13.487 7.550 1.00 20.00 ? ? ? ? ? . 92 ASP . CA 25 ATOM 93 . CA . ASP . 25 93 . -9.368 -10.723 -0.585 1.00 20.00 ? ? ? ? ? . 93 ASP . CA 25 ATOM 94 . CA . ASP . 25 94 . 2.502 -14.274 3.073 1.00 20.00 ? ? ? ? ? . 94 ASP . CA 25 ATOM 95 . CA . ASP . 25 95 . 4.541 5.990 -8.748 1.00 20.00 ? ? ? ? ? . 95 ASP . CA 25 ATOM 96 . CA . ASP . 25 96 . -6.803 -8.879 8.699 1.00 20.00 ? ? ? ? ? . 96 ASP . CA 25 ATOM 97 . CA . ASP . 25 97 . 3.756 -9.295 -5.781 1.00 20.00 ? ? ? ? ? . 97 ASP . CA 25 ATOM 98 . CA . ASP . 25 98 . -0.305 0.491 -9.104 1.00 20.00 ? ? ? ? ? . 98 ASP . CA 25 ATOM 99 . CA . ASP . 25 99 . -4.124 -5.170 5.986 1.00 20.00 ? ? ? ? ? . 99 ASP . CA 25 ATOM 100 . CA . ASP . 25 100 . 3.283 -14.676 -2.806 1.00 20.00 ? ? ? ? ? . 100 ASP . CA 25 ATOM 101 . CA . ASP . 25 101 . 6.082 -0.679 1.408 1.00 20.00 ? ? ? ? ? . 101 ASP . CA 25 ATOM 102 . CA . ASP . 25 102 . -9.921 0.476 -10.852 1.00 20.00 ? ? ? ? ? . 102 ASP . CA 25 ATOM 103 . CA . ASP . 25 103 . 0.840 -9.313 1.768 1.00 20.00 ? ? ? ? ? . 103 ASP . CA 25 ATOM 104 . CA . ASP . 25 104 . -1.040 -14.104 5.322 1.00 20.00 ? ? ? ? ? . 104 ASP . CA 25 ATOM 105 . CA . ASP . 25 105 . 9.043 21.477 -1.388 1.00 20.00 ? ? ? ? ? . 105 ASP . CA 25 ATOM 106 . CA . ASP . 25 106 . 6.750 2.684 3.665 1.00 20.00 ? ? ? ? ? . 106 ASP . CA 25 ATOM 107 . CA . ASP . 25 107 . 7.240 10.264 -4.862 1.00 20.00 ? ? ? ? ? . 107 ASP . CA 25 ATOM 108 . CA . ASP . 25 108 . -0.637 -21.336 -4.282 1.00 20.00 ? ? ? ? ? . 108 ASP . CA 25 ATOM 109 . CA . ASP . 25 109 . -8.695 -3.083 -10.328 1.00 20.00 ? ? ? ? ? . 109 ASP . CA 25 ATOM 110 . CA . ASP . 25 110 . -2.724 4.915 -7.208 1.00 20.00 ? ? ? ? ? . 110 ASP . CA 25 ATOM 111 . CA . ASP . 25 111 . 0.473 -20.164 -0.842 1.00 20.00 ? ? ? ? ? . 111 ASP . CA 25 ATOM 112 . CA . ASP . 25 112 . 0.881 -18.895 -6.767 1.00 20.00 ? ? ? ? ? . 112 ASP . CA 25 ATOM 113 . CA . ASP . 25 113 . -2.083 -9.957 -13.706 1.00 20.00 ? ? ? ? ? . 113 ASP . CA 25 ATOM 114 . CA . ASP . 25 114 . 1.106 -8.873 -11.947 1.00 20.00 ? ? ? ? ? . 114 ASP . CA 25 ATOM 115 . CA . ASP . 25 115 . -8.650 -19.167 -4.322 1.00 20.00 ? ? ? ? ? . 115 ASP . CA 25 ATOM 116 . CA . ASP . 25 116 . -6.150 1.351 -11.399 1.00 20.00 ? ? ? ? ? . 116 ASP . CA 25 ATOM 117 . CA . ASP . 25 117 . 2.426 8.508 4.923 1.00 20.00 ? ? ? ? ? . 117 ASP . CA 25 ATOM 118 . CA . ASP . 25 118 . -0.760 3.863 3.071 1.00 20.00 ? ? ? ? ? . 118 ASP . CA 25 ATOM 119 . CA . ASP . 25 119 . -8.857 2.018 -1.417 1.00 20.00 ? ? ? ? ? . 119 ASP . CA 25 ATOM 120 . CA . ASP . 25 120 . -3.395 -20.091 7.378 1.00 20.00 ? ? ? ? ? . 120 ASP . CA 25 ATOM 121 . CA . ASP . 25 121 . -12.430 -15.206 -2.024 1.00 20.00 ? ? ? ? ? . 121 ASP . CA 25 ATOM 122 . CA . ASP . 25 122 . 2.445 9.531 -5.975 1.00 20.00 ? ? ? ? ? . 122 ASP . CA 25 ATOM 123 . CA . ASP . 25 123 . -6.733 -6.136 4.131 1.00 20.00 ? ? ? ? ? . 123 ASP . CA 25 ATOM 124 . CA . ASP . 25 124 . -6.204 -3.560 -13.157 1.00 20.00 ? ? ? ? ? . 124 ASP . CA 25 ATOM 125 . CA . ASP . 25 125 . 6.552 21.839 2.120 1.00 20.00 ? ? ? ? ? . 125 ASP . CA 25 ATOM 126 . CA . ASP . 25 126 . -4.443 3.181 2.539 1.00 20.00 ? ? ? ? ? . 126 ASP . CA 25 ATOM 127 . CA . ASP . 25 127 . -8.347 0.297 -5.368 1.00 20.00 ? ? ? ? ? . 127 ASP . CA 25 ATOM 128 . CA . ASP . 25 128 . 9.987 2.980 -2.653 1.00 20.00 ? ? ? ? ? . 128 ASP . CA 25 ATOM 129 . H . WAT . 25 129 . 1.530 0.000 14.350 1.00 20.00 ? ? ? ? ? . 129 WAT . H 25 ATOM 130 . H . WAT . 25 130 . -2.203 -2.017 13.850 1.00 20.00 ? ? ? ? ? . 130 WAT . H 25 ATOM 131 . H . WAT . 25 131 . 0.383 4.323 13.984 1.00 20.00 ? ? ? ? ? . 131 WAT . H 25 ATOM 132 . H . WAT . 25 132 . 2.957 -3.866 12.575 1.00 20.00 ? ? ? ? ? . 132 WAT . H 25 ATOM 133 . H . WAT . 25 133 . -5.644 1.007 12.593 1.00 20.00 ? ? ? ? ? . 133 WAT . H 25 ATOM 134 . H . WAT . 25 134 . 5.725 3.628 13.063 1.00 20.00 ? ? ? ? ? . 134 WAT . H 25 ATOM 135 . H . WAT . 25 135 . -1.735 -6.400 11.440 1.00 20.00 ? ? ? ? ? . 135 WAT . H 25 ATOM 136 . H . WAT . 25 136 . -3.664 7.099 12.504 1.00 20.00 ? ? ? ? ? . 136 WAT . H 25 ATOM 137 . H . WAT . 25 137 . 6.780 -2.498 10.360 1.00 20.00 ? ? ? ? ? . 137 WAT . H 25 ATOM 138 . H . WAT . 25 138 . -7.399 -3.027 10.576 1.00 20.00 ? ? ? ? ? . 138 WAT . H 25 ATOM 139 . H . WAT . 25 139 . 4.654 9.854 13.376 1.00 20.00 ? ? ? ? ? . 139 WAT . H 25 ATOM 140 . H . WAT . 25 140 . 2.420 -7.822 9.364 1.00 20.00 ? ? ? ? ? . 140 WAT . H 25 ATOM 141 . H . WAT . 25 141 . -6.232 3.647 7.721 1.00 20.00 ? ? ? ? ? . 141 WAT . H 25 ATOM 142 . H . WAT . 25 142 . 8.739 1.879 8.958 1.00 20.00 ? ? ? ? ? . 142 WAT . H 25 ATOM 143 . H . WAT . 25 143 . -8.511 -11.979 13.831 1.00 20.00 ? ? ? ? ? . 143 WAT . H 25 ATOM 144 . H . WAT . 25 144 . -1.504 12.108 10.803 1.00 20.00 ? ? ? ? ? . 144 WAT . H 25 ATOM 145 . H . WAT . 25 145 . 6.919 -5.899 7.582 1.00 20.00 ? ? ? ? ? . 145 WAT . H 25 ATOM 146 . H . WAT . 25 146 . -9.913 -0.350 7.797 1.00 20.00 ? ? ? ? ? . 146 WAT . H 25 ATOM 147 . H . WAT . 25 147 . 11.009 10.816 11.440 1.00 20.00 ? ? ? ? ? . 147 WAT . H 25 ATOM 148 . H . WAT . 25 148 . -1.115 -21.043 14.734 1.00 20.00 ? ? ? ? ? . 148 WAT . H 25 ATOM 149 . H . WAT . 25 149 . -6.237 7.583 6.475 1.00 20.00 ? ? ? ? ? . 149 WAT . H 25 ATOM 150 . H . WAT . 25 150 . 10.333 -1.469 6.490 1.00 20.00 ? ? ? ? ? . 150 WAT . H 25 ATOM 151 . H . WAT . 25 151 . -13.221 -9.047 9.388 1.00 20.00 ? ? ? ? ? . 151 WAT . H 25 ATOM 152 . H . WAT . 25 152 . 3.773 16.156 9.155 1.00 20.00 ? ? ? ? ? . 152 WAT . H 25 ATOM 153 . H . WAT . 25 153 . 7.056 -12.561 7.478 1.00 20.00 ? ? ? ? ? . 153 WAT . H 25 ATOM 154 . H . WAT . 25 154 . -10.345 3.402 5.309 1.00 20.00 ? ? ? ? ? . 154 WAT . H 25 ATOM 155 . H . WAT . 25 155 . 14.043 6.332 7.041 1.00 20.00 ? ? ? ? ? . 155 WAT . H 25 ATOM 156 . H . WAT . 25 156 . -9.499 -22.100 10.289 1.00 20.00 ? ? ? ? ? . 156 WAT . H 25 ATOM 157 . H . WAT . 25 157 . -3.904 11.203 4.737 1.00 20.00 ? ? ? ? ? . 157 WAT . H 25 ATOM 158 . H . WAT . 25 158 . 10.815 -5.827 4.565 1.00 20.00 ? ? ? ? ? . 158 WAT . H 25 ATOM 159 . H . WAT . 25 159 . -12.776 -3.223 4.541 1.00 20.00 ? ? ? ? ? . 159 WAT . H 25 ATOM 160 . H . WAT . 25 160 . 11.013 16.720 6.374 1.00 20.00 ? ? ? ? ? . 160 WAT . H 25 ATOM 161 . H . WAT . 25 161 . 3.557 -22.202 6.581 1.00 20.00 ? ? ? ? ? . 161 WAT . H 25 ATOM 162 . H . WAT . 25 162 . -8.934 7.088 3.051 1.00 20.00 ? ? ? ? ? . 162 WAT . H 25 ATOM 163 . H . WAT . 25 163 . 14.936 1.056 3.636 1.00 20.00 ? ? ? ? ? . 163 WAT . H 25 ATOM 164 . H . WAT . 25 164 . -17.535 -18.489 5.568 1.00 20.00 ? ? ? ? ? . 164 WAT . H 25 ATOM 165 . H . WAT . 25 165 . 0.314 17.813 3.467 1.00 20.00 ? ? ? ? ? . 165 WAT . H 25 ATOM 166 . H . WAT . 25 166 . 10.600 -11.998 2.738 1.00 20.00 ? ? ? ? ? . 166 WAT . H 25 ATOM 167 . H . WAT . 25 167 . -13.494 1.434 2.004 1.00 20.00 ? ? ? ? ? . 167 WAT . H 25 ATOM 168 . H . WAT . 25 168 . 13.917 10.262 2.154 1.00 20.00 ? ? ? ? ? . 168 WAT . H 25 ATOM 169 . H . WAT . 25 169 . -5.456 -27.750 2.875 1.00 20.00 ? ? ? ? ? . 169 WAT . H 25 ATOM 170 . H . WAT . 25 170 . -6.461 10.606 0.980 1.00 20.00 ? ? ? ? ? . 170 WAT . H 25 ATOM 171 . H . WAT . 25 171 . 13.083 -3.796 0.767 1.00 20.00 ? ? ? ? ? . 171 WAT . H 25 ATOM 172 . H . WAT . 25 172 . -13.077 -6.461 0.492 1.00 20.00 ? ? ? ? ? . 172 WAT . H 25 ATOM 173 . H . WAT . 25 173 . 10.385 26.724 0.322 1.00 20.00 ? ? ? ? ? . 173 WAT . H 25 ATOM 174 . H . WAT . 25 174 . 7.207 -18.547 -0.224 1.00 20.00 ? ? ? ? ? . 174 WAT . H 25 ATOM 175 . H . WAT . 25 175 . -13.534 6.687 -0.509 1.00 20.00 ? ? ? ? ? . 175 WAT . H 25 ATOM 176 . H . WAT . 25 176 . 14.915 4.328 -0.874 1.00 20.00 ? ? ? ? ? . 176 WAT . H 25 ATOM 177 . H . WAT . 25 177 . -13.559 -22.259 -2.056 1.00 20.00 ? ? ? ? ? . 177 WAT . H 25 ATOM 178 . H . WAT . 25 178 . -3.464 17.617 -1.825 1.00 20.00 ? ? ? ? ? . 178 WAT . H 25 ATOM 179 . H . WAT . 25 179 . 10.853 -8.003 -1.680 1.00 20.00 ? ? ? ? ? . 179 WAT . H 25 ATOM 180 . H . WAT . 25 180 . -14.386 -1.529 -2.136 1.00 20.00 ? ? ? ? ? . 180 WAT . H 25 ATOM 181 . H . WAT . 25 181 . 13.646 15.446 -3.524 1.00 20.00 ? ? ? ? ? . 181 WAT . H 25 ATOM 182 . H . WAT . 25 182 . 0.463 -26.250 -5.109 1.00 20.00 ? ? ? ? ? . 182 WAT . H 25 ATOM 183 . H . WAT . 25 183 . -10.249 10.807 -3.255 1.00 20.00 ? ? ? ? ? . 183 WAT . H 25 ATOM 184 . H . WAT . 25 184 . 14.640 -1.035 -3.564 1.00 20.00 ? ? ? ? ? . 184 WAT . H 25 ATOM 185 . H . WAT . 25 185 . -14.136 -11.215 -4.827 1.00 20.00 ? ? ? ? ? . 185 WAT . H 25 ATOM 186 . H . WAT . 25 186 . 4.336 27.068 -8.023 1.00 20.00 ? ? ? ? ? . 186 WAT . H 25 ATOM 187 . H . WAT . 25 187 . 8.449 -12.827 -4.890 1.00 20.00 ? ? ? ? ? . 187 WAT . H 25 ATOM 188 . H . WAT . 25 188 . -13.706 3.457 -4.872 1.00 20.00 ? ? ? ? ? . 188 WAT . H 25 ATOM 189 . H . WAT . 25 189 . 12.784 6.887 -5.396 1.00 20.00 ? ? ? ? ? . 189 WAT . H 25 ATOM 190 . H . WAT . 25 190 . -7.963 -22.851 -9.661 1.00 20.00 ? ? ? ? ? . 190 WAT . H 25 ATOM 191 . H . WAT . 25 191 . -6.277 14.605 -6.800 1.00 20.00 ? ? ? ? ? . 191 WAT . H 25 ATOM 192 . H . WAT . 25 192 . 11.796 -5.318 -5.915 1.00 20.00 ? ? ? ? ? . 192 WAT . H 25 ATOM 193 . H . WAT . 25 193 . -12.293 -4.042 -6.308 1.00 20.00 ? ? ? ? ? . 193 WAT . H 25 ATOM 194 . H . WAT . 25 194 . 11.950 21.273 -12.664 1.00 20.00 ? ? ? ? ? . 194 WAT . H 25 ATOM 195 . H . WAT . 25 195 . 4.890 -20.935 -11.864 1.00 20.00 ? ? ? ? ? . 195 WAT . H 25 ATOM 196 . H . WAT . 25 196 . -10.819 7.403 -7.683 1.00 20.00 ? ? ? ? ? . 196 WAT . H 25 ATOM 197 . H . WAT . 25 197 . 13.017 1.850 -8.176 1.00 20.00 ? ? ? ? ? . 197 WAT . H 25 ATOM 198 . H . WAT . 25 198 . -10.690 -12.996 -11.098 1.00 20.00 ? ? ? ? ? . 198 WAT . H 25 ATOM 199 . H . WAT . 25 199 . -0.790 14.906 -10.437 1.00 20.00 ? ? ? ? ? . 199 WAT . H 25 ATOM 200 . H . WAT . 25 200 . 9.070 -8.912 -9.426 1.00 20.00 ? ? ? ? ? . 200 WAT . H 25 ATOM 201 . H . WAT . 25 201 . -15.333 0.541 -12.060 1.00 20.00 ? ? ? ? ? . 201 WAT . H 25 ATOM 202 . H . WAT . 25 202 . 9.492 8.092 -10.402 1.00 20.00 ? ? ? ? ? . 202 WAT . H 25 ATOM 203 . H . WAT . 25 203 . -2.253 -18.140 -16.186 1.00 20.00 ? ? ? ? ? . 203 WAT . H 25 ATOM 204 . H . WAT . 25 204 . -6.134 8.633 -9.968 1.00 20.00 ? ? ? ? ? . 204 WAT . H 25 ATOM 205 . H . WAT . 25 205 . 10.644 -2.289 -10.910 1.00 20.00 ? ? ? ? ? . 205 WAT . H 25 ATOM 206 . H . WAT . 25 206 . -11.821 -6.918 -14.643 1.00 20.00 ? ? ? ? ? . 206 WAT . H 25 ATOM 207 . H . WAT . 25 207 . 3.409 11.019 -13.192 1.00 20.00 ? ? ? ? ? . 207 WAT . H 25 ATOM 208 . H . WAT . 25 208 . 5.295 -11.210 -15.218 1.00 20.00 ? ? ? ? ? . 208 WAT . H 25 ATOM 209 . H . WAT . 25 209 . -10.773 4.407 -15.399 1.00 20.00 ? ? ? ? ? . 209 WAT . H 25 ATOM 210 . H . WAT . 25 210 . 8.603 3.170 -13.146 1.00 20.00 ? ? ? ? ? . 210 WAT . H 25 ATOM 211 . H . WAT . 25 211 . -5.851 -11.334 -19.964 1.00 20.00 ? ? ? ? ? . 211 WAT . H 25 ATOM 212 . H . WAT . 25 212 . -1.929 7.117 -12.721 1.00 20.00 ? ? ? ? ? . 212 WAT . H 25 ATOM 213 . H . WAT . 25 213 . 6.377 -4.041 -14.551 1.00 20.00 ? ? ? ? ? . 213 WAT . H 25 ATOM 214 . H . WAT . 25 214 . -8.062 -1.438 -17.988 1.00 20.00 ? ? ? ? ? . 214 WAT . H 25 ATOM 215 . H . WAT . 25 215 . 3.481 4.550 -14.802 1.00 20.00 ? ? ? ? ? . 215 WAT . H 25 ATOM 216 . H . WAT . 25 216 . 0.604 -6.828 -22.084 1.00 20.00 ? ? ? ? ? . 216 WAT . H 25 ATOM 217 . H . WAT . 25 217 . -2.689 2.461 -16.902 1.00 20.00 ? ? ? ? ? . 217 WAT . H 25 ATOM 218 . H . WAT . 25 218 . 1.739 0.000 -16.314 1.00 20.00 ? ? ? ? ? . 218 WAT . H 25 # data_SASDAN2_MODEL_24 # _sas_model.id 24 _sas_model.type_of_model atomic _sas_model.version . _sas_model.symmetry P1 _sas_model.comment . _sas_model.fitting_id 2 _sas_model.radius . # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 24 1 . 9.415 6.394 16.649 1.00 99.15 ? ? ? ? ? . 1 LYS A N 24 ATOM 2 C CA . LYS A 24 1 . 8.869 6.448 18.001 1.00 98.08 ? ? ? ? ? . 1 LYS A CA 24 ATOM 3 C C . LYS A 24 1 . 8.151 7.773 18.264 1.00 100.00 ? ? ? ? ? . 1 LYS A C 24 ATOM 4 O O . LYS A 24 1 . 7.121 7.819 18.987 1.00 100.00 ? ? ? ? ? . 1 LYS A O 24 ATOM 5 C CB A LYS A 24 1 . 9.935 6.174 19.059 0.50 99.81 ? ? ? ? ? . 1 LYS A CB 24 ATOM 6 C CB B LYS A 24 1 . 9.927 6.159 19.071 0.50 99.36 ? ? ? ? ? . 1 LYS A CB 24 ATOM 7 C CG A LYS A 24 1 . 9.734 6.977 20.342 0.50 91.26 ? ? ? ? ? . 1 LYS A CG 24 ATOM 8 C CG B LYS A 24 1 . 10.928 5.087 18.662 0.50 90.33 ? ? ? ? ? . 1 LYS A CG 24 ATOM 9 C CD A LYS A 24 1 . 8.428 6.657 21.051 0.50 86.16 ? ? ? ? ? . 1 LYS A CD 24 ATOM 10 C CD B LYS A 24 1 . 11.899 5.556 17.589 0.50 88.52 ? ? ? ? ? . 1 LYS A CD 24 ATOM 11 C CE A LYS A 24 1 . 8.012 7.726 22.049 0.50 70.79 ? ? ? ? ? . 1 LYS A CE 24 ATOM 12 C CE B LYS A 24 1 . 13.068 4.611 17.374 0.50 100.00 ? ? ? ? ? . 1 LYS A CE 24 ATOM 13 N NZ A LYS A 24 1 . 6.558 7.764 22.275 0.50 67.84 ? ? ? ? ? . 1 LYS A NZ 24 ATOM 14 N NZ B LYS A 24 1 . 13.809 4.880 16.131 0.50 100.00 ? ? ? ? ? . 1 LYS A NZ 24 ATOM 15 N N . GLU A 24 2 . 8.649 8.847 17.643 1.00 96.41 ? ? ? ? ? . 2 GLU A N 24 ATOM 16 C CA . GLU A 24 2 . 8.123 10.189 17.836 1.00 96.00 ? ? ? ? ? . 2 GLU A CA 24 ATOM 17 C C . GLU A 24 2 . 7.769 10.859 16.544 1.00 100.00 ? ? ? ? ? . 2 GLU A C 24 ATOM 18 O O . GLU A 24 2 . 7.205 11.965 16.529 1.00 99.67 ? ? ? ? ? . 2 GLU A O 24 ATOM 19 C CB . GLU A 24 2 . 9.113 11.071 18.611 1.00 97.06 ? ? ? ? ? . 2 GLU A CB 24 ATOM 20 C CG . GLU A 24 2 . 10.330 10.287 19.154 1.00 100.00 ? ? ? ? ? . 2 GLU A CG 24 ATOM 21 C CD . GLU A 24 2 . 11.177 11.084 20.121 1.00 100.00 ? ? ? ? ? . 2 GLU A CD 24 ATOM 22 O OE1 . GLU A 24 2 . 11.304 12.298 20.063 1.00 100.00 ? ? ? ? ? . 2 GLU A OE1 24 ATOM 23 O OE2 . GLU A 24 2 . 11.791 10.323 21.001 1.00 100.00 ? ? ? ? ? . 2 GLU A OE2 24 ATOM 24 N N . THR A 24 3 . 8.157 10.220 15.468 1.00 95.40 ? ? ? ? ? . 3 THR A N 24 ATOM 25 C CA . THR A 24 3 . 7.947 10.757 14.150 1.00 93.88 ? ? ? ? ? . 3 THR A CA 24 ATOM 26 C C . THR A 24 3 . 7.963 9.649 13.123 1.00 94.65 ? ? ? ? ? . 3 THR A C 24 ATOM 27 O O . THR A 24 3 . 7.243 9.729 12.087 1.00 95.19 ? ? ? ? ? . 3 THR A O 24 ATOM 28 C CB . THR A 24 3 . 8.983 11.847 13.842 1.00 94.01 ? ? ? ? ? . 3 THR A CB 24 ATOM 29 O OG1 . THR A 24 3 . 9.663 12.208 15.041 1.00 82.00 ? ? ? ? ? . 3 THR A OG1 24 ATOM 30 C CG2 . THR A 24 3 . 8.308 13.058 13.258 1.00 100.00 ? ? ? ? ? . 3 THR A CG2 24 ATOM 31 N N . ALA A 24 4 . 8.679 8.572 13.461 1.00 84.23 ? ? ? ? ? . 4 ALA A N 24 ATOM 32 C CA . ALA A 24 4 . 8.797 7.400 12.598 1.00 78.98 ? ? ? ? ? . 4 ALA A CA 24 ATOM 33 C C . ALA A 24 4 . 7.581 6.481 12.696 1.00 69.34 ? ? ? ? ? . 4 ALA A C 24 ATOM 34 O O . ALA A 24 4 . 7.026 6.052 11.665 1.00 67.23 ? ? ? ? ? . 4 ALA A O 24 ATOM 35 C CB . ALA A 24 4 . 10.074 6.641 12.882 1.00 79.74 ? ? ? ? ? . 4 ALA A CB 24 ATOM 36 N N . ALA A 24 5 . 7.208 6.143 13.952 1.00 56.01 ? ? ? ? ? . 5 ALA A N 24 ATOM 37 C CA . ALA A 24 5 . 6.047 5.314 14.228 1.00 53.19 ? ? ? ? ? . 5 ALA A CA 24 ATOM 38 C C . ALA A 24 5 . 4.774 5.998 13.768 1.00 57.10 ? ? ? ? ? . 5 ALA A C 24 ATOM 39 O O . ALA A 24 5 . 3.763 5.343 13.465 1.00 53.78 ? ? ? ? ? . 5 ALA A O 24 ATOM 40 C CB . ALA A 24 5 . 5.961 4.980 15.697 1.00 53.06 ? ? ? ? ? . 5 ALA A CB 24 ATOM 41 N N . ALA A 24 6 . 4.853 7.354 13.727 1.00 55.25 ? ? ? ? ? . 6 ALA A N 24 ATOM 42 C CA . ALA A 24 6 . 3.790 8.234 13.223 1.00 51.98 ? ? ? ? ? . 6 ALA A CA 24 ATOM 43 C C . ALA A 24 6 . 3.852 8.306 11.711 1.00 52.15 ? ? ? ? ? . 6 ALA A C 24 ATOM 44 O O . ALA A 24 6 . 2.837 8.300 11.007 1.00 50.93 ? ? ? ? ? . 6 ALA A O 24 ATOM 45 C CB . ALA A 24 6 . 3.947 9.627 13.807 1.00 51.58 ? ? ? ? ? . 6 ALA A CB 24 ATOM 46 N N . LYS A 24 7 . 5.070 8.380 11.213 1.00 44.39 ? ? ? ? ? . 7 LYS A N 24 ATOM 47 C CA . LYS A 24 7 . 5.283 8.361 9.800 1.00 43.13 ? ? ? ? ? . 7 LYS A CA 24 ATOM 48 C C . LYS A 24 7 . 4.693 7.098 9.206 1.00 42.88 ? ? ? ? ? . 7 LYS A C 24 ATOM 49 O O . LYS A 24 7 . 3.872 7.147 8.291 1.00 39.56 ? ? ? ? ? . 7 LYS A O 24 ATOM 50 C CB A LYS A 24 7 . 6.743 8.543 9.436 0.50 43.26 ? ? ? ? ? . 7 LYS A CB 24 ATOM 51 C CB B LYS A 24 7 . 6.762 8.417 9.470 0.50 45.61 ? ? ? ? ? . 7 LYS A CB 24 ATOM 52 C CG A LYS A 24 7 . 7.098 7.946 8.103 0.50 32.00 ? ? ? ? ? . 7 LYS A CG 24 ATOM 53 C CG B LYS A 24 7 . 7.259 9.808 9.155 0.50 64.34 ? ? ? ? ? . 7 LYS A CG 24 ATOM 54 C CD A LYS A 24 7 . 8.311 7.045 8.181 0.50 29.32 ? ? ? ? ? . 7 LYS A CD 24 ATOM 55 C CD B LYS A 24 7 . 6.537 10.913 9.855 0.50 64.97 ? ? ? ? ? . 7 LYS A CD 24 ATOM 56 C CE A LYS A 24 7 . 8.798 6.611 6.821 0.50 25.39 ? ? ? ? ? . 7 LYS A CE 24 ATOM 57 C CE B LYS A 24 7 . 7.516 11.882 10.572 0.50 43.67 ? ? ? ? ? . 7 LYS A CE 24 ATOM 58 N NZ A LYS A 24 7 . 10.034 5.813 6.877 0.50 41.36 ? ? ? ? ? . 7 LYS A NZ 24 ATOM 59 N NZ B LYS A 24 7 . 6.903 13.138 10.885 0.50 46.18 ? ? ? ? ? . 7 LYS A NZ 24 ATOM 60 N N . PHE A 24 8 . 4.997 5.959 9.833 1.00 38.70 ? ? ? ? ? . 8 PHE A N 24 ATOM 61 C CA . PHE A 24 8 . 4.493 4.692 9.330 1.00 38.64 ? ? ? ? ? . 8 PHE A CA 24 ATOM 62 C C . PHE A 24 8 . 2.996 4.598 9.462 1.00 41.11 ? ? ? ? ? . 8 PHE A C 24 ATOM 63 O O . PHE A 24 8 . 2.304 4.190 8.532 1.00 42.17 ? ? ? ? ? . 8 PHE A O 24 ATOM 64 C CB . PHE A 24 8 . 5.191 3.449 9.929 1.00 40.40 ? ? ? ? ? . 8 PHE A CB 24 ATOM 65 C CG . PHE A 24 8 . 4.577 2.116 9.453 1.00 41.00 ? ? ? ? ? . 8 PHE A CG 24 ATOM 66 C CD1 . PHE A 24 8 . 3.374 1.637 9.992 1.00 40.95 ? ? ? ? ? . 8 PHE A CD1 24 ATOM 67 C CD2 . PHE A 24 8 . 5.195 1.352 8.456 1.00 40.43 ? ? ? ? ? . 8 PHE A CD2 24 ATOM 68 C CE1 . PHE A 24 8 . 2.822 0.416 9.585 1.00 38.46 ? ? ? ? ? . 8 PHE A CE1 24 ATOM 69 C CE2 . PHE A 24 8 . 4.642 0.142 8.017 1.00 38.96 ? ? ? ? ? . 8 PHE A CE2 24 ATOM 70 C CZ . PHE A 24 8 . 3.465 -0.335 8.598 1.00 33.89 ? ? ? ? ? . 8 PHE A CZ 24 ATOM 71 N N . GLU A 24 9 . 2.489 5.004 10.597 1.00 33.89 ? ? ? ? ? . 9 GLU A N 24 ATOM 72 C CA . GLU A 24 9 . 1.080 4.939 10.802 1.00 35.13 ? ? ? ? ? . 9 GLU A CA 24 ATOM 73 C C . GLU A 24 9 . 0.327 5.873 9.857 1.00 44.24 ? ? ? ? ? . 9 GLU A C 24 ATOM 74 O O . GLU A 24 9 . -0.735 5.551 9.332 1.00 45.15 ? ? ? ? ? . 9 GLU A O 24 ATOM 75 C CB . GLU A 24 9 . 0.693 5.104 12.295 1.00 38.58 ? ? ? ? ? . 9 GLU A CB 24 ATOM 76 C CG . GLU A 24 9 . 0.316 6.531 12.692 1.00 55.15 ? ? ? ? ? . 9 GLU A CG 24 ATOM 77 C CD . GLU A 24 9 . -1.071 6.594 13.233 1.00 96.97 ? ? ? ? ? . 9 GLU A CD 24 ATOM 78 O OE1 . GLU A 24 9 . -1.929 5.824 12.893 1.00 100.00 ? ? ? ? ? . 9 GLU A OE1 24 ATOM 79 O OE2 . GLU A 24 9 . -1.244 7.540 14.128 1.00 100.00 ? ? ? ? ? . 9 GLU A OE2 24 ATOM 80 N N . ARG A 24 10 . 0.972 6.954 9.507 1.00 43.39 ? ? ? ? ? . 10 ARG A N 24 ATOM 81 C CA . ARG A 24 10 . 0.387 7.920 8.600 1.00 43.32 ? ? ? ? ? . 10 ARG A CA 24 ATOM 82 C C . ARG A 24 10 . 0.157 7.333 7.218 1.00 46.61 ? ? ? ? ? . 10 ARG A C 24 ATOM 83 O O . ARG A 24 10 . -0.902 7.503 6.594 1.00 46.70 ? ? ? ? ? . 10 ARG A O 24 ATOM 84 C CB . ARG A 24 10 . 1.292 9.141 8.487 1.00 46.67 ? ? ? ? ? . 10 ARG A CB 24 ATOM 85 C CG . ARG A 24 10 . 0.622 10.308 7.781 1.00 66.32 ? ? ? ? ? . 10 ARG A CG 24 ATOM 86 C CD . ARG A 24 10 . 1.579 11.106 6.909 1.00 58.31 ? ? ? ? ? . 10 ARG A CD 24 ATOM 87 N NE . ARG A 24 10 . 2.898 11.260 7.502 1.00 59.68 ? ? ? ? ? . 10 ARG A NE 24 ATOM 88 C CZ . ARG A 24 10 . 3.946 11.663 6.822 1.00 71.69 ? ? ? ? ? . 10 ARG A CZ 24 ATOM 89 N NH1 . ARG A 24 10 . 3.870 11.918 5.526 1.00 55.59 ? ? ? ? ? . 10 ARG A NH1 24 ATOM 90 N NH2 . ARG A 24 10 . 5.111 11.792 7.441 1.00 54.18 ? ? ? ? ? . 10 ARG A NH2 24 ATOM 91 N N . GLN A 24 11 . 1.190 6.699 6.717 1.00 35.95 ? ? ? ? ? . 11 GLN A N 24 ATOM 92 C CA . GLN A 24 11 . 1.197 6.235 5.395 1.00 31.41 ? ? ? ? ? . 11 GLN A CA 24 ATOM 93 C C . GLN A 24 11 . 0.504 4.924 5.216 1.00 41.59 ? ? ? ? ? . 11 GLN A C 24 ATOM 94 O O . GLN A 24 11 . -0.232 4.741 4.253 1.00 52.50 ? ? ? ? ? . 11 GLN A O 24 ATOM 95 C CB . GLN A 24 11 . 2.616 6.149 4.893 1.00 33.88 ? ? ? ? ? . 11 GLN A CB 24 ATOM 96 C CG . GLN A 24 11 . 3.130 7.482 4.343 1.00 48.15 ? ? ? ? ? . 11 GLN A CG 24 ATOM 97 C CD . GLN A 24 11 . 4.500 7.806 4.851 1.00 87.73 ? ? ? ? ? . 11 GLN A CD 24 ATOM 98 O OE1 . GLN A 24 11 . 5.296 8.465 4.169 1.00 88.13 ? ? ? ? ? . 11 GLN A OE1 24 ATOM 99 N NE2 . GLN A 24 11 . 4.804 7.299 6.046 1.00 99.77 ? ? ? ? ? . 11 GLN A NE2 24 ATOM 100 N N . HIS A 24 12 . 0.776 3.984 6.112 1.00 30.89 ? ? ? ? ? . 12 HIS A N 24 ATOM 101 C CA . HIS A 24 12 . 0.391 2.604 5.883 1.00 25.82 ? ? ? ? ? . 12 HIS A CA 24 ATOM 102 C C . HIS A 24 12 . -0.707 2.053 6.694 1.00 32.09 ? ? ? ? ? . 12 HIS A C 24 ATOM 103 O O . HIS A 24 12 . -1.078 0.940 6.468 1.00 34.53 ? ? ? ? ? . 12 HIS A O 24 ATOM 104 C CB . HIS A 24 12 . 1.561 1.643 5.935 1.00 21.90 ? ? ? ? ? . 12 HIS A CB 24 ATOM 105 C CG . HIS A 24 12 . 2.719 2.153 5.217 1.00 23.96 ? ? ? ? ? . 12 HIS A CG 24 ATOM 106 N ND1 . HIS A 24 12 . 2.847 2.011 3.838 1.00 26.31 ? ? ? ? ? . 12 HIS A ND1 24 ATOM 107 C CD2 . HIS A 24 12 . 3.758 2.875 5.666 1.00 29.67 ? ? ? ? ? . 12 HIS A CD2 24 ATOM 108 C CE1 . HIS A 24 12 . 3.955 2.629 3.486 1.00 27.01 ? ? ? ? ? . 12 HIS A CE1 24 ATOM 109 N NE2 . HIS A 24 12 . 4.550 3.136 4.571 1.00 28.87 ? ? ? ? ? . 12 HIS A NE2 24 ATOM 110 N N . MET A 24 13 . -1.164 2.734 7.698 1.00 32.86 ? ? ? ? ? . 13 MET A N 24 ATOM 111 C CA . MET A 24 13 . -2.171 2.093 8.529 1.00 36.96 ? ? ? ? ? . 13 MET A CA 24 ATOM 112 C C . MET A 24 13 . -3.600 2.542 8.308 1.00 40.69 ? ? ? ? ? . 13 MET A C 24 ATOM 113 O O . MET A 24 13 . -3.901 3.725 8.228 1.00 38.52 ? ? ? ? ? . 13 MET A O 24 ATOM 114 C CB . MET A 24 13 . -1.800 1.996 10.029 1.00 42.62 ? ? ? ? ? . 13 MET A CB 24 ATOM 115 C CG . MET A 24 13 . -0.829 0.849 10.355 1.00 51.04 ? ? ? ? ? . 13 MET A CG 24 ATOM 116 S SD . MET A 24 13 . -1.650 -0.713 10.751 1.00 60.67 ? ? ? ? ? . 13 MET A SD 24 ATOM 117 C CE . MET A 24 13 . -3.301 -0.134 11.279 1.00 56.65 ? ? ? ? ? . 13 MET A CE 24 ATOM 118 N N . ASP A 24 14 . -4.496 1.551 8.296 1.00 39.91 ? ? ? ? ? . 14 ASP A N 24 ATOM 119 C CA . ASP A 24 14 . -5.914 1.780 8.235 1.00 40.77 ? ? ? ? ? . 14 ASP A CA 24 ATOM 120 C C . ASP A 24 14 . -6.705 0.671 8.926 1.00 47.35 ? ? ? ? ? . 14 ASP A C 24 ATOM 121 O O . ASP A 24 14 . -7.315 -0.140 8.285 1.00 45.43 ? ? ? ? ? . 14 ASP A O 24 ATOM 122 C CB . ASP A 24 14 . -6.400 2.006 6.814 1.00 44.32 ? ? ? ? ? . 14 ASP A CB 24 ATOM 123 C CG . ASP A 24 14 . -7.676 2.759 6.775 1.00 54.14 ? ? ? ? ? . 14 ASP A CG 24 ATOM 124 O OD1 . ASP A 24 14 . -7.863 3.779 7.402 1.00 63.43 ? ? ? ? ? . 14 ASP A OD1 24 ATOM 125 O OD2 . ASP A 24 14 . -8.572 2.192 6.020 1.00 49.58 ? ? ? ? ? . 14 ASP A OD2 24 ATOM 126 N N . SER A 24 15 . -6.707 0.686 10.259 1.00 57.18 ? ? ? ? ? . 15 SER A N 24 ATOM 127 C CA . SER A 24 15 . -7.397 -0.327 11.061 1.00 62.68 ? ? ? ? ? . 15 SER A CA 24 ATOM 128 C C . SER A 24 15 . -8.820 0.089 11.449 1.00 74.81 ? ? ? ? ? . 15 SER A C 24 ATOM 129 O O . SER A 24 15 . -9.193 0.009 12.623 1.00 76.74 ? ? ? ? ? . 15 SER A O 24 ATOM 130 C CB . SER A 24 15 . -6.601 -0.689 12.316 1.00 70.51 ? ? ? ? ? . 15 SER A CB 24 ATOM 131 O OG . SER A 24 15 . -5.499 -1.536 11.983 1.00 84.41 ? ? ? ? ? . 15 SER A OG 24 ATOM 132 N N . SER A 24 16 . -9.623 0.482 10.435 1.00 71.52 ? ? ? ? ? . 16 SER A N 24 ATOM 133 C CA . SER A 24 16 . -11.023 0.901 10.627 1.00 69.14 ? ? ? ? ? . 16 SER A CA 24 ATOM 134 C C . SER A 24 16 . -11.962 0.111 9.724 1.00 68.36 ? ? ? ? ? . 16 SER A C 24 ATOM 135 O O . SER A 24 16 . -13.189 0.186 9.821 1.00 65.46 ? ? ? ? ? . 16 SER A O 24 ATOM 136 C CB . SER A 24 16 . -11.200 2.367 10.345 1.00 69.71 ? ? ? ? ? . 16 SER A CB 24 ATOM 137 O OG . SER A 24 16 . -12.151 2.497 9.302 1.00 72.52 ? ? ? ? ? . 16 SER A OG 24 ATOM 138 N N . THR A 24 17 . -11.364 -0.551 8.776 1.00 66.51 ? ? ? ? ? . 17 THR A N 24 ATOM 139 C CA . THR A 24 17 . -12.070 -1.380 7.838 1.00 67.52 ? ? ? ? ? . 17 THR A CA 24 ATOM 140 C C . THR A 24 17 . -11.305 -2.656 7.600 1.00 69.35 ? ? ? ? ? . 17 THR A C 24 ATOM 141 O O . THR A 24 17 . -10.085 -2.673 7.609 1.00 66.69 ? ? ? ? ? . 17 THR A O 24 ATOM 142 C CB . THR A 24 17 . -12.288 -0.667 6.498 1.00 77.06 ? ? ? ? ? . 17 THR A CB 24 ATOM 143 O OG1 . THR A 24 17 . -13.036 -1.504 5.666 1.00 81.76 ? ? ? ? ? . 17 THR A OG1 24 ATOM 144 C CG2 . THR A 24 17 . -10.946 -0.386 5.830 1.00 70.08 ? ? ? ? ? . 17 THR A CG2 24 ATOM 145 N N . SER A 24 18 . -12.005 -3.727 7.381 1.00 65.46 ? ? ? ? ? . 18 SER A N 24 ATOM 146 C CA . SER A 24 18 . -11.308 -4.944 7.167 1.00 62.42 ? ? ? ? ? . 18 SER A CA 24 ATOM 147 C C . SER A 24 18 . -10.687 -4.995 5.811 1.00 58.69 ? ? ? ? ? . 18 SER A C 24 ATOM 148 O O . SER A 24 18 . -9.725 -5.723 5.597 1.00 57.13 ? ? ? ? ? . 18 SER A O 24 ATOM 149 C CB . SER A 24 18 . -12.125 -6.166 7.484 1.00 66.25 ? ? ? ? ? . 18 SER A CB 24 ATOM 150 O OG . SER A 24 18 . -11.531 -6.839 8.577 1.00 82.27 ? ? ? ? ? . 18 SER A OG 24 ATOM 151 N N . ALA A 24 19 . -11.174 -4.135 4.917 1.00 52.70 ? ? ? ? ? . 19 ALA A N 24 ATOM 152 C CA . ALA A 24 19 . -10.684 -4.114 3.563 1.00 53.34 ? ? ? ? ? . 19 ALA A CA 24 ATOM 153 C C . ALA A 24 19 . -10.934 -2.783 2.858 1.00 64.62 ? ? ? ? ? . 19 ALA A C 24 ATOM 154 O O . ALA A 24 19 . -10.998 -1.730 3.493 1.00 65.81 ? ? ? ? ? . 19 ALA A O 24 ATOM 155 C CB . ALA A 24 19 . -11.274 -5.269 2.783 1.00 53.76 ? ? ? ? ? . 19 ALA A CB 24 ATOM 156 N N . ALA A 24 20 . -11.035 -2.851 1.527 1.00 64.25 ? ? ? ? ? . 20 ALA A N 24 ATOM 157 C CA . ALA A 24 20 . -11.305 -1.693 0.686 1.00 64.46 ? ? ? ? ? . 20 ALA A CA 24 ATOM 158 C C . ALA A 24 20 . -11.561 -2.120 -0.755 1.00 73.68 ? ? ? ? ? . 20 ALA A C 24 ATOM 159 O O . ALA A 24 20 . -10.679 -2.610 -1.428 1.00 74.26 ? ? ? ? ? . 20 ALA A O 24 ATOM 160 C CB . ALA A 24 20 . -10.171 -0.677 0.770 1.00 64.51 ? ? ? ? ? . 20 ALA A CB 24 ATOM 161 N N . SER A 24 21 . -12.806 -2.060 -1.176 1.00 76.66 ? ? ? ? ? . 21 SER A N 24 ATOM 162 C CA . SER A 24 21 . -13.149 -2.481 -2.527 1.00 80.85 ? ? ? ? ? . 21 SER A CA 24 ATOM 163 C C . SER A 24 21 . -13.689 -1.339 -3.375 1.00 85.32 ? ? ? ? ? . 21 SER A C 24 ATOM 164 O O . SER A 24 21 . -14.893 -1.233 -3.608 1.00 84.10 ? ? ? ? ? . 21 SER A O 24 ATOM 165 C CB . SER A 24 21 . -14.075 -3.706 -2.566 1.00 90.85 ? ? ? ? ? . 21 SER A CB 24 ATOM 166 O OG . SER A 24 21 . -13.957 -4.393 -3.816 1.00 100.00 ? ? ? ? ? . 21 SER A OG 24 ATOM 167 N N . SER A 24 22 . -12.765 -0.512 -3.871 1.00 83.88 ? ? ? ? ? . 22 SER A N 24 ATOM 168 C CA . SER A 24 22 . -13.099 0.611 -4.726 1.00 84.08 ? ? ? ? ? . 22 SER A CA 24 ATOM 169 C C . SER A 24 22 . -11.957 1.610 -4.807 1.00 82.38 ? ? ? ? ? . 22 SER A C 24 ATOM 170 O O . SER A 24 22 . -11.198 1.783 -3.854 1.00 82.18 ? ? ? ? ? . 22 SER A O 24 ATOM 171 C CB . SER A 24 22 . -14.382 1.309 -4.290 1.00 89.51 ? ? ? ? ? . 22 SER A CB 24 ATOM 172 O OG . SER A 24 22 . -14.120 2.212 -3.218 1.00 95.73 ? ? ? ? ? . 22 SER A OG 24 ATOM 173 N N . SER A 24 23 . -11.877 2.306 -5.937 1.00 73.09 ? ? ? ? ? . 23 SER A N 24 ATOM 174 C CA . SER A 24 23 . -10.909 3.348 -6.111 1.00 70.46 ? ? ? ? ? . 23 SER A CA 24 ATOM 175 C C . SER A 24 23 . -11.199 4.531 -5.193 1.00 70.97 ? ? ? ? ? . 23 SER A C 24 ATOM 176 O O . SER A 24 23 . -10.315 5.347 -4.915 1.00 67.25 ? ? ? ? ? . 23 SER A O 24 ATOM 177 C CB . SER A 24 23 . -10.830 3.785 -7.542 1.00 76.48 ? ? ? ? ? . 23 SER A CB 24 ATOM 178 O OG . SER A 24 23 . -9.958 4.878 -7.651 1.00 95.42 ? ? ? ? ? . 23 SER A OG 24 ATOM 179 N N . ASN A 24 24 . -12.461 4.599 -4.697 1.00 68.71 ? ? ? ? ? . 24 ASN A N 24 ATOM 180 C CA . ASN A 24 24 . -12.878 5.630 -3.732 1.00 67.02 ? ? ? ? ? . 24 ASN A CA 24 ATOM 181 C C . ASN A 24 24 . -12.008 5.615 -2.481 1.00 67.02 ? ? ? ? ? . 24 ASN A C 24 ATOM 182 O O . ASN A 24 24 . -11.563 6.670 -1.998 1.00 70.16 ? ? ? ? ? . 24 ASN A O 24 ATOM 183 C CB . ASN A 24 24 . -14.364 5.505 -3.342 1.00 68.44 ? ? ? ? ? . 24 ASN A CB 24 ATOM 184 C CG . ASN A 24 24 . -14.829 6.600 -2.375 1.00 100.00 ? ? ? ? ? . 24 ASN A CG 24 ATOM 185 O OD1 . ASN A 24 24 . -14.039 7.147 -1.585 1.00 99.46 ? ? ? ? ? . 24 ASN A OD1 24 ATOM 186 N ND2 . ASN A 24 24 . -16.118 6.916 -2.429 1.00 100.00 ? ? ? ? ? . 24 ASN A ND2 24 ATOM 187 N N . TYR A 24 25 . -11.801 4.397 -1.931 1.00 49.14 ? ? ? ? ? . 25 TYR A N 24 ATOM 188 C CA . TYR A 24 25 . -10.909 4.205 -0.837 1.00 41.56 ? ? ? ? ? . 25 TYR A CA 24 ATOM 189 C C . TYR A 24 25 . -9.599 4.959 -1.066 1.00 43.44 ? ? ? ? ? . 25 TYR A C 24 ATOM 190 O O . TYR A 24 25 . -9.259 5.923 -0.338 1.00 45.58 ? ? ? ? ? . 25 TYR A O 24 ATOM 191 C CB . TYR A 24 25 . -10.616 2.724 -0.619 1.00 40.30 ? ? ? ? ? . 25 TYR A CB 24 ATOM 192 C CG . TYR A 24 25 . -9.738 2.509 0.581 1.00 38.79 ? ? ? ? ? . 25 TYR A CG 24 ATOM 193 C CD1 . TYR A 24 25 . -10.258 2.658 1.868 1.00 41.25 ? ? ? ? ? . 25 TYR A CD1 24 ATOM 194 C CD2 . TYR A 24 25 . -8.369 2.299 0.433 1.00 37.35 ? ? ? ? ? . 25 TYR A CD2 24 ATOM 195 C CE1 . TYR A 24 25 . -9.451 2.523 2.995 1.00 38.49 ? ? ? ? ? . 25 TYR A CE1 24 ATOM 196 C CE2 . TYR A 24 25 . -7.545 2.156 1.546 1.00 37.58 ? ? ? ? ? . 25 TYR A CE2 24 ATOM 197 C CZ . TYR A 24 25 . -8.093 2.265 2.825 1.00 45.77 ? ? ? ? ? . 25 TYR A CZ 24 ATOM 198 O OH . TYR A 24 25 . -7.299 2.121 3.918 1.00 59.84 ? ? ? ? ? . 25 TYR A OH 24 ATOM 199 N N . CYS A 24 26 . -8.871 4.533 -2.115 1.00 36.88 ? ? ? ? ? . 26 CYS A N 24 ATOM 200 C CA . CYS A 24 26 . -7.566 5.102 -2.439 1.00 35.39 ? ? ? ? ? . 26 CYS A CA 24 ATOM 201 C C . CYS A 24 26 . -7.569 6.634 -2.586 1.00 42.82 ? ? ? ? ? . 26 CYS A C 24 ATOM 202 O O . CYS A 24 26 . -6.760 7.355 -1.950 1.00 42.25 ? ? ? ? ? . 26 CYS A O 24 ATOM 203 C CB . CYS A 24 26 . -6.876 4.395 -3.610 1.00 35.58 ? ? ? ? ? . 26 CYS A CB 24 ATOM 204 S SG . CYS A 24 26 . -6.082 2.856 -3.064 1.00 41.69 ? ? ? ? ? . 26 CYS A SG 24 ATOM 205 N N . ASN A 24 27 . -8.500 7.142 -3.367 1.00 38.98 ? ? ? ? ? . 27 ASN A N 24 ATOM 206 C CA . ASN A 24 27 . -8.571 8.561 -3.602 1.00 38.21 ? ? ? ? ? . 27 ASN A CA 24 ATOM 207 C C . ASN A 24 27 . -8.806 9.373 -2.338 1.00 44.01 ? ? ? ? ? . 27 ASN A C 24 ATOM 208 O O . ASN A 24 27 . -8.091 10.360 -2.057 1.00 43.10 ? ? ? ? ? . 27 ASN A O 24 ATOM 209 C CB . ASN A 24 27 . -9.536 8.907 -4.731 1.00 42.87 ? ? ? ? ? . 27 ASN A CB 24 ATOM 210 C CG . ASN A 24 27 . -9.023 8.386 -6.057 1.00 79.35 ? ? ? ? ? . 27 ASN A CG 24 ATOM 211 O OD1 . ASN A 24 27 . -8.125 8.974 -6.649 1.00 52.89 ? ? ? ? ? . 27 ASN A OD1 24 ATOM 212 N ND2 . ASN A 24 27 . -9.490 7.209 -6.447 1.00 91.37 ? ? ? ? ? . 27 ASN A ND2 24 ATOM 213 N N . GLN A 24 28 . -9.746 8.913 -1.522 1.00 42.49 ? ? ? ? ? . 28 GLN A N 24 ATOM 214 C CA . GLN A 24 28 . -10.042 9.587 -0.273 1.00 42.49 ? ? ? ? ? . 28 GLN A CA 24 ATOM 215 C C . GLN A 24 28 . -8.874 9.487 0.698 1.00 47.10 ? ? ? ? ? . 28 GLN A C 24 ATOM 216 O O . GLN A 24 28 . -8.384 10.494 1.238 1.00 49.10 ? ? ? ? ? . 28 GLN A O 24 ATOM 217 C CB . GLN A 24 28 . -11.332 9.045 0.349 1.00 42.59 ? ? ? ? ? . 28 GLN A CB 24 ATOM 218 C CG . GLN A 24 28 . -11.073 7.870 1.288 1.00 65.34 ? ? ? ? ? . 28 GLN A CG 24 ATOM 219 C CD . GLN A 24 28 . -12.284 7.507 2.119 1.00 100.00 ? ? ? ? ? . 28 GLN A CD 24 ATOM 220 O OE1 . GLN A 24 28 . -12.165 6.877 3.183 1.00 100.00 ? ? ? ? ? . 28 GLN A OE1 24 ATOM 221 N NE2 . GLN A 24 28 . -13.464 7.904 1.636 1.00 93.53 ? ? ? ? ? . 28 GLN A NE2 24 ATOM 222 N N . MET A 24 29 . -8.356 8.275 0.800 1.00 43.32 ? ? ? ? ? . 29 MET A N 24 ATOM 223 C CA . MET A 24 29 . -7.269 7.978 1.689 1.00 42.87 ? ? ? ? ? . 29 MET A CA 24 ATOM 224 C C . MET A 24 29 . -6.002 8.777 1.398 1.00 43.90 ? ? ? ? ? . 29 MET A C 24 ATOM 225 O O . MET A 24 29 . -5.467 9.424 2.265 1.00 41.25 ? ? ? ? ? . 29 MET A O 24 ATOM 226 C CB . MET A 24 29 . -7.002 6.470 1.787 1.00 43.10 ? ? ? ? ? . 29 MET A CB 24 ATOM 227 C CG . MET A 24 29 . -8.063 5.770 2.596 1.00 45.04 ? ? ? ? ? . 29 MET A CG 24 ATOM 228 S SD . MET A 24 29 . -8.231 6.480 4.260 1.00 48.20 ? ? ? ? ? . 29 MET A SD 24 ATOM 229 C CE . MET A 24 29 . -6.822 5.681 5.094 1.00 41.25 ? ? ? ? ? . 29 MET A CE 24 ATOM 230 N N . MET A 24 30 . -5.519 8.724 0.179 1.00 39.07 ? ? ? ? ? . 30 MET A N 24 ATOM 231 C CA . MET A 24 30 . -4.313 9.481 -0.129 1.00 38.07 ? ? ? ? ? . 30 MET A CA 24 ATOM 232 C C . MET A 24 30 . -4.485 10.956 0.239 1.00 42.19 ? ? ? ? ? . 30 MET A C 24 ATOM 233 O O . MET A 24 30 . -3.583 11.610 0.751 1.00 37.33 ? ? ? ? ? . 30 MET A O 24 ATOM 234 C CB . MET A 24 30 . -3.887 9.302 -1.596 1.00 38.30 ? ? ? ? ? . 30 MET A CB 24 ATOM 235 C CG . MET A 24 30 . -3.705 7.848 -1.991 1.00 39.43 ? ? ? ? ? . 30 MET A CG 24 ATOM 236 S SD . MET A 24 30 . -2.282 7.065 -1.156 1.00 44.51 ? ? ? ? ? . 30 MET A SD 24 ATOM 237 C CE . MET A 24 30 . -0.868 7.894 -1.921 1.00 40.63 ? ? ? ? ? . 30 MET A CE 24 ATOM 238 N N . LYS A 24 31 . -5.683 11.451 -0.008 1.00 46.13 ? ? ? ? ? . 31 LYS A N 24 ATOM 239 C CA . LYS A 24 31 . -6.030 12.809 0.298 1.00 48.97 ? ? ? ? ? . 31 LYS A CA 24 ATOM 240 C C . LYS A 24 31 . -6.098 13.018 1.771 1.00 53.83 ? ? ? ? ? . 31 LYS A C 24 ATOM 241 O O . LYS A 24 31 . -5.501 13.945 2.305 1.00 53.92 ? ? ? ? ? . 31 LYS A O 24 ATOM 242 C CB . LYS A 24 31 . -7.346 13.204 -0.336 1.00 55.81 ? ? ? ? ? . 31 LYS A CB 24 ATOM 243 C CG . LYS A 24 31 . -7.252 14.522 -1.096 1.00 97.65 ? ? ? ? ? . 31 LYS A CG 24 ATOM 244 C CD . LYS A 24 31 . -8.277 15.571 -0.649 1.00 100.00 ? ? ? ? ? . 31 LYS A CD 24 ATOM 245 C CE . LYS A 24 31 . -8.645 16.578 -1.751 1.00 86.70 ? ? ? ? ? . 31 LYS A CE 24 ATOM 246 N NZ . LYS A 24 31 . -10.093 16.832 -1.849 1.00 63.60 ? ? ? ? ? . 31 LYS A NZ 24 ATOM 247 N N . SER A 24 32 . -6.861 12.142 2.422 1.00 48.21 ? ? ? ? ? . 32 SER A N 24 ATOM 248 C CA . SER A 24 32 . -7.032 12.169 3.867 1.00 49.20 ? ? ? ? ? . 32 SER A CA 24 ATOM 249 C C . SER A 24 32 . -5.710 12.248 4.593 1.00 52.42 ? ? ? ? ? . 32 SER A C 24 ATOM 250 O O . SER A 24 32 . -5.431 13.214 5.282 1.00 56.62 ? ? ? ? ? . 32 SER A O 24 ATOM 251 C CB . SER A 24 32 . -7.843 10.985 4.347 1.00 56.60 ? ? ? ? ? . 32 SER A CB 24 ATOM 252 O OG . SER A 24 32 . -8.912 10.739 3.454 1.00 77.29 ? ? ? ? ? . 32 SER A OG 24 ATOM 253 N N . ARG A 24 33 . -4.883 11.218 4.410 1.00 52.62 ? ? ? ? ? . 33 ARG A N 24 ATOM 254 C CA . ARG A 24 33 . -3.520 11.202 4.957 1.00 52.93 ? ? ? ? ? . 33 ARG A CA 24 ATOM 255 C C . ARG A 24 33 . -2.635 12.204 4.245 1.00 66.79 ? ? ? ? ? . 33 ARG A C 24 ATOM 256 O O . ARG A 24 33 . -1.430 12.010 4.164 1.00 69.73 ? ? ? ? ? . 33 ARG A O 24 ATOM 257 C CB . ARG A 24 33 . -2.851 9.819 4.870 1.00 41.79 ? ? ? ? ? . 33 ARG A CB 24 ATOM 258 C CG . ARG A 24 33 . -3.740 8.670 5.322 1.00 41.35 ? ? ? ? ? . 33 ARG A CG 24 ATOM 259 C CD . ARG A 24 33 . -4.246 8.861 6.729 1.00 40.35 ? ? ? ? ? . 33 ARG A CD 24 ATOM 260 N NE . ARG A 24 33 . -5.059 7.761 7.197 1.00 35.93 ? ? ? ? ? . 33 ARG A NE 24 ATOM 261 C CZ . ARG A 24 33 . -4.569 6.604 7.538 1.00 36.90 ? ? ? ? ? . 33 ARG A CZ 24 ATOM 262 N NH1 . ARG A 24 33 . -3.273 6.340 7.437 1.00 25.15 ? ? ? ? ? . 33 ARG A NH1 24 ATOM 263 N NH2 . ARG A 24 33 . -5.400 5.664 7.975 1.00 30.61 ? ? ? ? ? . 33 ARG A NH2 24 ATOM 264 N N . ASN A 24 34 . -3.268 13.235 3.653 1.00 67.01 ? ? ? ? ? . 34 ASN A N 24 ATOM 265 C CA . ASN A 24 34 . -2.563 14.292 2.903 1.00 66.54 ? ? ? ? ? . 34 ASN A CA 24 ATOM 266 C C . ASN A 24 34 . -1.357 13.762 2.146 1.00 60.24 ? ? ? ? ? . 34 ASN A C 24 ATOM 267 O O . ASN A 24 34 . -0.341 14.450 2.071 1.00 55.67 ? ? ? ? ? . 34 ASN A O 24 ATOM 268 C CB . ASN A 24 34 . -2.133 15.488 3.809 1.00 69.08 ? ? ? ? ? . 34 ASN A CB 24 ATOM 269 C CG . ASN A 24 34 . -3.190 16.572 3.960 1.00 82.89 ? ? ? ? ? . 34 ASN A CG 24 ATOM 270 O OD1 . ASN A 24 34 . -3.933 16.888 3.016 1.00 81.78 ? ? ? ? ? . 34 ASN A OD1 24 ATOM 271 N ND2 . ASN A 24 34 . -3.231 17.172 5.140 1.00 73.89 ? ? ? ? ? . 34 ASN A ND2 24 ATOM 272 N N . LEU A 24 35 . -1.483 12.515 1.591 1.00 54.00 ? ? ? ? ? . 35 LEU A N 24 ATOM 273 C CA . LEU A 24 35 . -0.378 11.836 0.847 1.00 49.87 ? ? ? ? ? . 35 LEU A CA 24 ATOM 274 C C . LEU A 24 35 . -0.177 12.399 -0.578 1.00 61.71 ? ? ? ? ? . 35 LEU A C 24 ATOM 275 O O . LEU A 24 35 . 0.817 12.109 -1.260 1.00 59.48 ? ? ? ? ? . 35 LEU A O 24 ATOM 276 C CB . LEU A 24 35 . -0.528 10.302 0.836 1.00 47.29 ? ? ? ? ? . 35 LEU A CB 24 ATOM 277 C CG . LEU A 24 35 . 0.208 9.629 1.983 1.00 50.29 ? ? ? ? ? . 35 LEU A CG 24 ATOM 278 C CD1 . LEU A 24 35 . -0.636 8.508 2.567 1.00 50.21 ? ? ? ? ? . 35 LEU A CD1 24 ATOM 279 C CD2 . LEU A 24 35 . 1.544 9.080 1.505 1.00 49.04 ? ? ? ? ? . 35 LEU A CD2 24 ATOM 280 N N . THR A 24 36 . -1.139 13.222 -1.002 1.00 69.79 ? ? ? ? ? . 36 THR A N 24 ATOM 281 C CA . THR A 24 36 . -1.063 13.948 -2.257 1.00 73.09 ? ? ? ? ? . 36 THR A CA 24 ATOM 282 C C . THR A 24 36 . -0.450 15.319 -2.021 1.00 79.96 ? ? ? ? ? . 36 THR A C 24 ATOM 283 O O . THR A 24 36 . 0.034 15.986 -2.943 1.00 80.17 ? ? ? ? ? . 36 THR A O 24 ATOM 284 C CB . THR A 24 36 . -2.449 14.072 -2.942 1.00 87.35 ? ? ? ? ? . 36 THR A CB 24 ATOM 285 O OG1 . THR A 24 36 . -3.433 14.517 -2.006 1.00 86.50 ? ? ? ? ? . 36 THR A OG1 24 ATOM 286 C CG2 . THR A 24 36 . -2.856 12.729 -3.538 1.00 87.12 ? ? ? ? ? . 36 THR A CG2 24 ATOM 287 N N . LYS A 24 37 . -0.437 15.702 -0.742 1.00 78.35 ? ? ? ? ? . 37 LYS A N 24 ATOM 288 C CA . LYS A 24 37 . 0.163 16.942 -0.293 1.00 79.76 ? ? ? ? ? . 37 LYS A CA 24 ATOM 289 C C . LYS A 24 37 . 1.449 17.251 -1.057 1.00 89.47 ? ? ? ? ? . 37 LYS A C 24 ATOM 290 O O . LYS A 24 37 . 2.379 16.448 -1.091 1.00 93.53 ? ? ? ? ? . 37 LYS A O 24 ATOM 291 C CB . LYS A 24 37 . 0.419 16.919 1.219 1.00 80.44 ? ? ? ? ? . 37 LYS A CB 24 ATOM 292 C CG . LYS A 24 37 . 0.354 18.291 1.877 1.00 93.82 ? ? ? ? ? . 37 LYS A CG 24 ATOM 293 C CD . LYS A 24 37 . 0.672 18.254 3.371 1.00 100.00 ? ? ? ? ? . 37 LYS A CD 24 ATOM 294 C CE . LYS A 24 37 . 0.697 19.647 4.023 1.00 100.00 ? ? ? ? ? . 37 LYS A CE 24 ATOM 295 N NZ . LYS A 24 37 . 1.093 19.629 5.453 1.00 100.00 ? ? ? ? ? . 37 LYS A NZ 24 ATOM 296 N N . ASP A 24 38 . 1.487 18.435 -1.701 1.00 82.69 ? ? ? ? ? . 38 ASP A N 24 ATOM 297 C CA . ASP A 24 38 . 2.682 18.886 -2.408 1.00 80.67 ? ? ? ? ? . 38 ASP A CA 24 ATOM 298 C C . ASP A 24 38 . 3.002 18.003 -3.598 1.00 85.75 ? ? ? ? ? . 38 ASP A C 24 ATOM 299 O O . ASP A 24 38 . 3.209 18.480 -4.686 1.00 86.67 ? ? ? ? ? . 38 ASP A O 24 ATOM 300 C CB . ASP A 24 38 . 3.860 19.051 -1.454 1.00 82.21 ? ? ? ? ? . 38 ASP A CB 24 ATOM 301 C CG . ASP A 24 38 . 3.498 19.570 -0.071 1.00 100.00 ? ? ? ? ? . 38 ASP A CG 24 ATOM 302 O OD1 . ASP A 24 38 . 3.511 18.841 0.951 1.00 100.00 ? ? ? ? ? . 38 ASP A OD1 24 ATOM 303 O OD2 . ASP A 24 38 . 3.191 20.853 -0.045 1.00 100.00 ? ? ? ? ? . 38 ASP A OD2 24 ATOM 304 N N . ARG A 24 39 . 3.057 16.702 -3.349 1.00 79.90 ? ? ? ? ? . 39 ARG A N 24 ATOM 305 C CA . ARG A 24 39 . 3.397 15.731 -4.387 1.00 78.46 ? ? ? ? ? . 39 ARG A CA 24 ATOM 306 C C . ARG A 24 39 . 2.901 14.361 -4.028 1.00 79.49 ? ? ? ? ? . 39 ARG A C 24 ATOM 307 O O . ARG A 24 39 . 3.406 13.711 -3.121 1.00 77.71 ? ? ? ? ? . 39 ARG A O 24 ATOM 308 C CB . ARG A 24 39 . 4.890 15.680 -4.661 1.00 81.00 ? ? ? ? ? . 39 ARG A CB 24 ATOM 309 C CG . ARG A 24 39 . 5.227 15.072 -6.012 1.00 81.87 ? ? ? ? ? . 39 ARG A CG 24 ATOM 310 C CD . ARG A 24 39 . 6.026 16.031 -6.881 1.00 94.48 ? ? ? ? ? . 39 ARG A CD 24 ATOM 311 N NE . ARG A 24 39 . 6.791 15.362 -7.930 1.00 100.00 ? ? ? ? ? . 39 ARG A NE 24 ATOM 312 C CZ . ARG A 24 39 . 7.654 14.376 -7.722 1.00 100.00 ? ? ? ? ? . 39 ARG A CZ 24 ATOM 313 N NH1 . ARG A 24 39 . 7.906 13.895 -6.511 1.00 100.00 ? ? ? ? ? . 39 ARG A NH1 24 ATOM 314 N NH2 . ARG A 24 39 . 8.294 13.857 -8.763 1.00 83.62 ? ? ? ? ? . 39 ARG A NH2 24 ATOM 315 N N . CYS A 24 40 . 1.904 13.923 -4.722 1.00 77.47 ? ? ? ? ? . 40 CYS A N 24 ATOM 316 C CA . CYS A 24 40 . 1.330 12.651 -4.414 1.00 78.57 ? ? ? ? ? . 40 CYS A CA 24 ATOM 317 C C . CYS A 24 40 . 2.169 11.515 -4.932 1.00 73.38 ? ? ? ? ? . 40 CYS A C 24 ATOM 318 O O . CYS A 24 40 . 2.477 11.452 -6.112 1.00 74.97 ? ? ? ? ? . 40 CYS A O 24 ATOM 319 C CB . CYS A 24 40 . -0.109 12.550 -4.904 1.00 81.03 ? ? ? ? ? . 40 CYS A CB 24 ATOM 320 S SG . CYS A 24 40 . -0.547 13.860 -6.069 1.00 85.40 ? ? ? ? ? . 40 CYS A SG 24 ATOM 321 N N . LYS A 24 41 . 2.511 10.607 -4.043 1.00 62.03 ? ? ? ? ? . 41 LYS A N 24 ATOM 322 C CA . LYS A 24 41 . 3.323 9.457 -4.396 1.00 60.76 ? ? ? ? ? . 41 LYS A CA 24 ATOM 323 C C . LYS A 24 41 . 2.622 8.506 -5.362 1.00 63.58 ? ? ? ? ? . 41 LYS A C 24 ATOM 324 O O . LYS A 24 41 . 1.414 8.334 -5.332 1.00 61.81 ? ? ? ? ? . 41 LYS A O 24 ATOM 325 C CB . LYS A 24 41 . 3.824 8.723 -3.169 1.00 62.31 ? ? ? ? ? . 41 LYS A CB 24 ATOM 326 C CG . LYS A 24 41 . 3.325 9.344 -1.881 1.00 67.75 ? ? ? ? ? . 41 LYS A CG 24 ATOM 327 C CD . LYS A 24 41 . 3.488 8.431 -0.677 1.00 69.02 ? ? ? ? ? . 41 LYS A CD 24 ATOM 328 C CE . LYS A 24 41 . 4.372 7.221 -0.946 1.00 40.43 ? ? ? ? ? . 41 LYS A CE 24 ATOM 329 N NZ . LYS A 24 41 . 4.301 6.213 0.118 1.00 38.26 ? ? ? ? ? . 41 LYS A NZ 24 ATOM 330 N N . PRO A 24 42 . 3.422 7.872 -6.203 1.00 61.23 ? ? ? ? ? . 42 PRO A N 24 ATOM 331 C CA . PRO A 24 42 . 2.937 6.980 -7.231 1.00 59.97 ? ? ? ? ? . 42 PRO A CA 24 ATOM 332 C C . PRO A 24 42 . 2.145 5.812 -6.687 1.00 62.86 ? ? ? ? ? . 42 PRO A C 24 ATOM 333 O O . PRO A 24 42 . 1.113 5.437 -7.240 1.00 67.03 ? ? ? ? ? . 42 PRO A O 24 ATOM 334 C CB . PRO A 24 42 . 4.177 6.456 -7.982 1.00 62.16 ? ? ? ? ? . 42 PRO A CB 24 ATOM 335 C CG . PRO A 24 42 . 5.389 7.215 -7.442 1.00 67.63 ? ? ? ? ? . 42 PRO A CG 24 ATOM 336 C CD . PRO A 24 42 . 4.901 8.045 -6.257 1.00 62.99 ? ? ? ? ? . 42 PRO A CD 24 ATOM 337 N N . VAL A 24 43 . 2.694 5.149 -5.677 1.00 52.54 ? ? ? ? ? . 43 VAL A N 24 ATOM 338 C CA . VAL A 24 43 . 2.064 3.960 -5.157 1.00 48.81 ? ? ? ? ? . 43 VAL A CA 24 ATOM 339 C C . VAL A 24 43 . 2.258 3.846 -3.695 1.00 43.07 ? ? ? ? ? . 43 VAL A C 24 ATOM 340 O O . VAL A 24 43 . 3.335 4.069 -3.208 1.00 42.26 ? ? ? ? ? . 43 VAL A O 24 ATOM 341 C CB . VAL A 24 43 . 2.573 2.718 -5.858 1.00 53.78 ? ? ? ? ? . 43 VAL A CB 24 ATOM 342 C CG1 . VAL A 24 43 . 3.882 3.052 -6.554 1.00 55.23 ? ? ? ? ? . 43 VAL A CG1 24 ATOM 343 C CG2 . VAL A 24 43 . 2.791 1.588 -4.851 1.00 52.27 ? ? ? ? ? . 43 VAL A CG2 24 ATOM 344 N N . ASN A 24 44 . 1.188 3.467 -3.006 1.00 36.67 ? ? ? ? ? . 44 ASN A N 24 ATOM 345 C CA . ASN A 24 44 . 1.168 3.335 -1.554 1.00 36.09 ? ? ? ? ? . 44 ASN A CA 24 ATOM 346 C C . ASN A 24 44 . 0.316 2.156 -1.091 1.00 37.63 ? ? ? ? ? . 44 ASN A C 24 ATOM 347 O O . ASN A 24 44 . -0.807 1.960 -1.544 1.00 37.60 ? ? ? ? ? . 44 ASN A O 24 ATOM 348 C CB . ASN A 24 44 . 0.647 4.619 -0.876 1.00 32.91 ? ? ? ? ? . 44 ASN A CB 24 ATOM 349 C CG . ASN A 24 44 . 0.869 4.630 0.618 1.00 32.78 ? ? ? ? ? . 44 ASN A CG 24 ATOM 350 O OD1 . ASN A 24 44 . 2.011 4.635 1.073 1.00 30.20 ? ? ? ? ? . 44 ASN A OD1 24 ATOM 351 N ND2 . ASN A 24 44 . -0.224 4.642 1.382 1.00 32.19 ? ? ? ? ? . 44 ASN A ND2 24 ATOM 352 N N . THR A 24 45 . 0.804 1.464 -0.072 1.00 34.35 ? ? ? ? ? . 45 THR A N 24 ATOM 353 C CA . THR A 24 45 . 0.099 0.331 0.488 1.00 31.33 ? ? ? ? ? . 45 THR A CA 24 ATOM 354 C C . THR A 24 45 . -0.471 0.646 1.879 1.00 30.30 ? ? ? ? ? . 45 THR A C 24 ATOM 355 O O . THR A 24 45 . 0.190 1.205 2.721 1.00 30.89 ? ? ? ? ? . 45 THR A O 24 ATOM 356 C CB . THR A 24 45 . 0.986 -0.978 0.468 1.00 44.85 ? ? ? ? ? . 45 THR A CB 24 ATOM 357 O OG1 . THR A 24 45 . 1.439 -1.298 1.760 1.00 57.75 ? ? ? ? ? . 45 THR A OG1 24 ATOM 358 C CG2 . THR A 24 45 . 2.203 -0.813 -0.446 1.00 38.62 ? ? ? ? ? . 45 THR A CG2 24 ATOM 359 N N . PHE A 24 46 . -1.726 0.322 2.066 1.00 30.68 ? ? ? ? ? . 46 PHE A N 24 ATOM 360 C CA . PHE A 24 46 . -2.419 0.461 3.359 1.00 31.70 ? ? ? ? ? . 46 PHE A CA 24 ATOM 361 C C . PHE A 24 46 . -2.691 -0.930 3.988 1.00 39.18 ? ? ? ? ? . 46 PHE A C 24 ATOM 362 O O . PHE A 24 46 . -3.232 -1.819 3.350 1.00 41.12 ? ? ? ? ? . 46 PHE A O 24 ATOM 363 C CB . PHE A 24 46 . -3.765 1.267 3.246 1.00 31.80 ? ? ? ? ? . 46 PHE A CB 24 ATOM 364 C CG . PHE A 24 46 . -3.565 2.752 3.000 1.00 33.37 ? ? ? ? ? . 46 PHE A CG 24 ATOM 365 C CD1 . PHE A 24 46 . -3.258 3.613 4.055 1.00 36.02 ? ? ? ? ? . 46 PHE A CD1 24 ATOM 366 C CD2 . PHE A 24 46 . -3.544 3.260 1.704 1.00 32.18 ? ? ? ? ? . 46 PHE A CD2 24 ATOM 367 C CE1 . PHE A 24 46 . -2.943 4.952 3.831 1.00 36.10 ? ? ? ? ? . 46 PHE A CE1 24 ATOM 368 C CE2 . PHE A 24 46 . -3.258 4.605 1.463 1.00 34.89 ? ? ? ? ? . 46 PHE A CE2 24 ATOM 369 C CZ . PHE A 24 46 . -2.965 5.449 2.531 1.00 33.65 ? ? ? ? ? . 46 PHE A CZ 24 ATOM 370 N N . VAL A 24 47 . -2.295 -1.094 5.236 1.00 27.66 ? ? ? ? ? . 47 VAL A N 24 ATOM 371 C CA . VAL A 24 47 . -2.531 -2.303 5.935 1.00 25.69 ? ? ? ? ? . 47 VAL A CA 24 ATOM 372 C C . VAL A 24 47 . -3.815 -2.196 6.684 1.00 32.61 ? ? ? ? ? . 47 VAL A C 24 ATOM 373 O O . VAL A 24 47 . -4.011 -1.272 7.442 1.00 35.72 ? ? ? ? ? . 47 VAL A O 24 ATOM 374 C CB . VAL A 24 47 . -1.360 -2.659 6.868 1.00 32.99 ? ? ? ? ? . 47 VAL A CB 24 ATOM 375 C CG1 . VAL A 24 47 . -1.610 -4.012 7.527 1.00 35.74 ? ? ? ? ? . 47 VAL A CG1 24 ATOM 376 C CG2 . VAL A 24 47 . -0.054 -2.708 6.082 1.00 31.03 ? ? ? ? ? . 47 VAL A CG2 24 ATOM 377 N N . HIS A 24 48 . -4.722 -3.123 6.431 1.00 35.97 ? ? ? ? ? . 48 HIS A N 24 ATOM 378 C CA . HIS A 24 48 . -6.048 -3.089 7.048 1.00 36.30 ? ? ? ? ? . 48 HIS A CA 24 ATOM 379 C C . HIS A 24 48 . -6.108 -3.926 8.321 1.00 46.06 ? ? ? ? ? . 48 HIS A C 24 ATOM 380 O O . HIS A 24 48 . -7.136 -4.438 8.706 1.00 50.46 ? ? ? ? ? . 48 HIS A O 24 ATOM 381 C CB . HIS A 24 48 . -7.167 -3.507 6.051 1.00 36.37 ? ? ? ? ? . 48 HIS A CB 24 ATOM 382 C CG . HIS A 24 48 . -7.332 -2.580 4.853 1.00 39.93 ? ? ? ? ? . 48 HIS A CG 24 ATOM 383 N ND1 . HIS A 24 48 . -8.354 -1.655 4.782 1.00 42.24 ? ? ? ? ? . 48 HIS A ND1 24 ATOM 384 C CD2 . HIS A 24 48 . -6.669 -2.542 3.669 1.00 40.83 ? ? ? ? ? . 48 HIS A CD2 24 ATOM 385 C CE1 . HIS A 24 48 . -8.254 -1.057 3.604 1.00 41.18 ? ? ? ? ? . 48 HIS A CE1 24 ATOM 386 N NE2 . HIS A 24 48 . -7.233 -1.536 2.940 1.00 40.70 ? ? ? ? ? . 48 HIS A NE2 24 ATOM 387 N N . GLU A 24 49 . -5.003 -4.047 8.970 1.00 49.68 ? ? ? ? ? . 49 GLU A N 24 ATOM 388 C CA . GLU A 24 49 . -4.951 -4.847 10.160 1.00 55.53 ? ? ? ? ? . 49 GLU A CA 24 ATOM 389 C C . GLU A 24 49 . -4.626 -4.023 11.379 1.00 67.12 ? ? ? ? ? . 49 GLU A C 24 ATOM 390 O O . GLU A 24 49 . -3.782 -3.133 11.337 1.00 69.95 ? ? ? ? ? . 49 GLU A O 24 ATOM 391 C CB . GLU A 24 49 . -3.982 -6.029 10.009 1.00 58.07 ? ? ? ? ? . 49 GLU A CB 24 ATOM 392 C CG . GLU A 24 49 . -4.724 -7.348 9.733 1.00 78.17 ? ? ? ? ? . 49 GLU A CG 24 ATOM 393 C CD . GLU A 24 49 . -4.299 -8.022 8.463 1.00 100.00 ? ? ? ? ? . 49 GLU A CD 24 ATOM 394 O OE1 . GLU A 24 49 . -3.141 -8.303 8.219 1.00 100.00 ? ? ? ? ? . 49 GLU A OE1 24 ATOM 395 O OE2 . GLU A 24 49 . -5.315 -8.319 7.678 1.00 76.24 ? ? ? ? ? . 49 GLU A OE2 24 ATOM 396 N N . SER A 24 50 . -5.305 -4.311 12.470 1.00 62.54 ? ? ? ? ? . 50 SER A N 24 ATOM 397 C CA . SER A 24 50 . -5.075 -3.599 13.695 1.00 60.41 ? ? ? ? ? . 50 SER A CA 24 ATOM 398 C C . SER A 24 50 . -3.610 -3.225 13.845 1.00 55.59 ? ? ? ? ? . 50 SER A C 24 ATOM 399 O O . SER A 24 50 . -2.714 -4.003 13.493 1.00 54.71 ? ? ? ? ? . 50 SER A O 24 ATOM 400 C CB . SER A 24 50 . -5.588 -4.353 14.913 1.00 66.88 ? ? ? ? ? . 50 SER A CB 24 ATOM 401 O OG . SER A 24 50 . -4.674 -4.255 15.985 1.00 79.26 ? ? ? ? ? . 50 SER A OG 24 ATOM 402 N N . LEU A 24 51 . -3.377 -2.037 14.358 1.00 48.03 ? ? ? ? ? . 51 LEU A N 24 ATOM 403 C CA . LEU A 24 51 . -2.049 -1.578 14.608 1.00 48.75 ? ? ? ? ? . 51 LEU A CA 24 ATOM 404 C C . LEU A 24 51 . -1.215 -2.580 15.476 1.00 57.49 ? ? ? ? ? . 51 LEU A C 24 ATOM 405 O O . LEU A 24 51 . -0.043 -2.852 15.186 1.00 56.80 ? ? ? ? ? . 51 LEU A O 24 ATOM 406 C CB . LEU A 24 51 . -2.082 -0.176 15.202 1.00 48.71 ? ? ? ? ? . 51 LEU A CB 24 ATOM 407 C CG . LEU A 24 51 . -1.072 0.007 16.296 1.00 56.12 ? ? ? ? ? . 51 LEU A CG 24 ATOM 408 C CD1 . LEU A 24 51 . 0.201 0.661 15.738 1.00 57.44 ? ? ? ? ? . 51 LEU A CD1 24 ATOM 409 C CD2 . LEU A 24 51 . -1.666 0.852 17.413 1.00 63.26 ? ? ? ? ? . 51 LEU A CD2 24 ATOM 410 N N . ALA A 24 52 . -1.836 -3.130 16.546 1.00 53.59 ? ? ? ? ? . 52 ALA A N 24 ATOM 411 C CA . ALA A 24 52 . -1.189 -4.164 17.370 1.00 49.84 ? ? ? ? ? . 52 ALA A CA 24 ATOM 412 C C . ALA A 24 52 . -0.730 -5.335 16.503 1.00 51.30 ? ? ? ? ? . 52 ALA A C 24 ATOM 413 O O . ALA A 24 52 . 0.386 -5.815 16.612 1.00 54.49 ? ? ? ? ? . 52 ALA A O 24 ATOM 414 C CB . ALA A 24 52 . -2.135 -4.668 18.429 1.00 49.22 ? ? ? ? ? . 52 ALA A CB 24 ATOM 415 N N . ASP A 24 53 . -1.628 -5.790 15.639 1.00 42.18 ? ? ? ? ? . 53 ASP A N 24 ATOM 416 C CA . ASP A 24 53 . -1.349 -6.856 14.712 1.00 40.65 ? ? ? ? ? . 53 ASP A CA 24 ATOM 417 C C . ASP A 24 53 . -0.130 -6.555 13.910 1.00 38.10 ? ? ? ? ? . 53 ASP A C 24 ATOM 418 O O . ASP A 24 53 . 0.690 -7.400 13.672 1.00 37.46 ? ? ? ? ? . 53 ASP A O 24 ATOM 419 C CB . ASP A 24 53 . -2.536 -7.085 13.771 1.00 46.03 ? ? ? ? ? . 53 ASP A CB 24 ATOM 420 C CG . ASP A 24 53 . -3.770 -7.620 14.471 1.00 72.56 ? ? ? ? ? . 53 ASP A CG 24 ATOM 421 O OD1 . ASP A 24 53 . -3.729 -8.190 15.559 1.00 73.45 ? ? ? ? ? . 53 ASP A OD1 24 ATOM 422 O OD2 . ASP A 24 53 . -4.884 -7.445 13.766 1.00 69.61 ? ? ? ? ? . 53 ASP A OD2 24 ATOM 423 N N . VAL A 24 54 . 0.008 -5.324 13.527 1.00 29.57 ? ? ? ? ? . 54 VAL A N 24 ATOM 424 C CA . VAL A 24 54 . 1.144 -4.959 12.782 1.00 32.03 ? ? ? ? ? . 54 VAL A CA 24 ATOM 425 C C . VAL A 24 54 . 2.379 -4.850 13.631 1.00 38.62 ? ? ? ? ? . 54 VAL A C 24 ATOM 426 O O . VAL A 24 54 . 3.479 -5.098 13.158 1.00 40.49 ? ? ? ? ? . 54 VAL A O 24 ATOM 427 C CB . VAL A 24 54 . 0.941 -3.699 11.949 1.00 39.81 ? ? ? ? ? . 54 VAL A CB 24 ATOM 428 C CG1 . VAL A 24 54 . 2.134 -3.513 11.025 1.00 37.79 ? ? ? ? ? . 54 VAL A CG1 24 ATOM 429 C CG2 . VAL A 24 54 . -0.351 -3.796 11.138 1.00 41.22 ? ? ? ? ? . 54 VAL A CG2 24 ATOM 430 N N . GLN A 24 55 . 2.231 -4.359 14.855 1.00 39.10 ? ? ? ? ? . 55 GLN A N 24 ATOM 431 C CA . GLN A 24 55 . 3.406 -4.252 15.733 1.00 41.66 ? ? ? ? ? . 55 GLN A CA 24 ATOM 432 C C . GLN A 24 55 . 3.950 -5.642 16.075 1.00 48.67 ? ? ? ? ? . 55 GLN A C 24 ATOM 433 O O . GLN A 24 55 . 5.175 -5.872 16.239 1.00 47.85 ? ? ? ? ? . 55 GLN A O 24 ATOM 434 C CB . GLN A 24 55 . 3.148 -3.432 17.029 1.00 44.55 ? ? ? ? ? . 55 GLN A CB 24 ATOM 435 C CG . GLN A 24 55 . 1.913 -2.524 16.960 1.00 67.64 ? ? ? ? ? . 55 GLN A CG 24 ATOM 436 C CD . GLN A 24 55 . 1.818 -1.573 18.127 1.00 96.82 ? ? ? ? ? . 55 GLN A CD 24 ATOM 437 O OE1 . GLN A 24 55 . 1.230 -1.895 19.161 1.00 90.14 ? ? ? ? ? . 55 GLN A OE1 24 ATOM 438 N NE2 . GLN A 24 55 . 2.433 -0.409 17.975 1.00 87.31 ? ? ? ? ? . 55 GLN A NE2 24 ATOM 439 N N . ALA A 24 56 . 3.011 -6.567 16.182 1.00 42.92 ? ? ? ? ? . 56 ALA A N 24 ATOM 440 C CA . ALA A 24 56 . 3.299 -7.938 16.487 1.00 36.69 ? ? ? ? ? . 56 ALA A CA 24 ATOM 441 C C . ALA A 24 56 . 4.339 -8.501 15.541 1.00 44.34 ? ? ? ? ? . 56 ALA A C 24 ATOM 442 O O . ALA A 24 56 . 5.173 -9.313 15.926 1.00 48.71 ? ? ? ? ? . 56 ALA A O 24 ATOM 443 C CB . ALA A 24 56 . 2.010 -8.750 16.434 1.00 35.10 ? ? ? ? ? . 56 ALA A CB 24 ATOM 444 N N . VAL A 24 57 . 4.309 -8.027 14.294 1.00 38.46 ? ? ? ? ? . 57 VAL A N 24 ATOM 445 C CA . VAL A 24 57 . 5.216 -8.529 13.267 1.00 37.07 ? ? ? ? ? . 57 VAL A CA 24 ATOM 446 C C . VAL A 24 57 . 6.670 -8.297 13.620 1.00 40.51 ? ? ? ? ? . 57 VAL A C 24 ATOM 447 O O . VAL A 24 57 . 7.537 -9.069 13.233 1.00 43.23 ? ? ? ? ? . 57 VAL A O 24 ATOM 448 C CB . VAL A 24 57 . 4.890 -8.008 11.864 1.00 39.77 ? ? ? ? ? . 57 VAL A CB 24 ATOM 449 C CG1 . VAL A 24 57 . 6.064 -8.294 10.921 1.00 40.50 ? ? ? ? ? . 57 VAL A CG1 24 ATOM 450 C CG2 . VAL A 24 57 . 3.628 -8.677 11.336 1.00 37.84 ? ? ? ? ? . 57 VAL A CG2 24 ATOM 451 N N . CYS A 24 58 . 6.912 -7.239 14.392 1.00 35.79 ? ? ? ? ? . 58 CYS A N 24 ATOM 452 C CA . CYS A 24 58 . 8.238 -6.895 14.868 1.00 38.40 ? ? ? ? ? . 58 CYS A CA 24 ATOM 453 C C . CYS A 24 58 . 8.927 -8.038 15.650 1.00 38.21 ? ? ? ? ? . 58 CYS A C 24 ATOM 454 O O . CYS A 24 58 . 10.150 -8.051 15.850 1.00 34.73 ? ? ? ? ? . 58 CYS A O 24 ATOM 455 C CB . CYS A 24 58 . 8.194 -5.603 15.697 1.00 42.66 ? ? ? ? ? . 58 CYS A CB 24 ATOM 456 S SG . CYS A 24 58 . 7.574 -4.199 14.749 1.00 47.92 ? ? ? ? ? . 58 CYS A SG 24 ATOM 457 N N . SER A 24 59 . 8.139 -8.986 16.108 1.00 33.24 ? ? ? ? ? . 59 SER A N 24 ATOM 458 C CA . SER A 24 59 . 8.690 -10.136 16.751 1.00 31.67 ? ? ? ? ? . 59 SER A CA 24 ATOM 459 C C . SER A 24 59 . 8.207 -11.424 16.104 1.00 42.29 ? ? ? ? ? . 59 SER A C 24 ATOM 460 O O . SER A 24 59 . 7.839 -12.374 16.782 1.00 45.22 ? ? ? ? ? . 59 SER A O 24 ATOM 461 C CB . SER A 24 59 . 8.395 -10.140 18.212 1.00 28.41 ? ? ? ? ? . 59 SER A CB 24 ATOM 462 O OG . SER A 24 59 . 7.005 -10.078 18.400 1.00 41.85 ? ? ? ? ? . 59 SER A OG 24 ATOM 463 N N . GLN A 24 60 . 8.194 -11.445 14.773 1.00 37.20 ? ? ? ? ? . 60 GLN A N 24 ATOM 464 C CA . GLN A 24 60 . 7.837 -12.651 14.038 1.00 33.66 ? ? ? ? ? . 60 GLN A CA 24 ATOM 465 C C . GLN A 24 60 . 9.008 -13.201 13.244 1.00 40.16 ? ? ? ? ? . 60 GLN A C 24 ATOM 466 O O . GLN A 24 60 . 10.063 -13.421 13.807 1.00 40.05 ? ? ? ? ? . 60 GLN A O 24 ATOM 467 C CB . GLN A 24 60 . 6.597 -12.438 13.215 1.00 31.78 ? ? ? ? ? . 60 GLN A CB 24 ATOM 468 C CG . GLN A 24 60 . 5.646 -11.537 13.971 1.00 39.79 ? ? ? ? ? . 60 GLN A CG 24 ATOM 469 C CD . GLN A 24 60 . 4.231 -11.658 13.524 1.00 64.60 ? ? ? ? ? . 60 GLN A CD 24 ATOM 470 O OE1 . GLN A 24 60 . 3.946 -12.222 12.460 1.00 59.79 ? ? ? ? ? . 60 GLN A OE1 24 ATOM 471 N NE2 . GLN A 24 60 . 3.328 -11.034 14.282 1.00 56.18 ? ? ? ? ? . 60 GLN A NE2 24 ATOM 472 N N . LYS A 24 61 . 8.824 -13.414 11.933 1.00 36.77 ? ? ? ? ? . 61 LYS A N 24 ATOM 473 C CA . LYS A 24 61 . 9.907 -13.953 11.101 1.00 35.21 ? ? ? ? ? . 61 LYS A CA 24 ATOM 474 C C . LYS A 24 61 . 10.944 -12.883 10.772 1.00 43.55 ? ? ? ? ? . 61 LYS A C 24 ATOM 475 O O . LYS A 24 61 . 10.644 -11.871 10.125 1.00 44.87 ? ? ? ? ? . 61 LYS A O 24 ATOM 476 C CB . LYS A 24 61 . 9.377 -14.598 9.828 1.00 34.37 ? ? ? ? ? . 61 LYS A CB 24 ATOM 477 C CG . LYS A 24 61 . 8.475 -15.777 10.102 1.00 38.49 ? ? ? ? ? . 61 LYS A CG 24 ATOM 478 C CD . LYS A 24 61 . 8.323 -16.702 8.902 1.00 51.90 ? ? ? ? ? . 61 LYS A CD 24 ATOM 479 C CE . LYS A 24 61 . 7.119 -16.360 8.044 1.00 78.13 ? ? ? ? ? . 61 LYS A CE 24 ATOM 480 N NZ . LYS A 24 61 . 7.023 -17.176 6.825 1.00 84.80 ? ? ? ? ? . 61 LYS A NZ 24 ATOM 481 N N . ASN A 24 62 . 12.169 -13.078 11.259 1.00 41.29 ? ? ? ? ? . 62 ASN A N 24 ATOM 482 C CA . ASN A 24 62 . 13.249 -12.127 11.011 1.00 41.78 ? ? ? ? ? . 62 ASN A CA 24 ATOM 483 C C . ASN A 24 62 . 13.892 -12.317 9.632 1.00 48.70 ? ? ? ? ? . 62 ASN A C 24 ATOM 484 O O . ASN A 24 62 . 14.420 -13.394 9.298 1.00 46.36 ? ? ? ? ? . 62 ASN A O 24 ATOM 485 C CB . ASN A 24 62 . 14.303 -12.151 12.121 1.00 45.33 ? ? ? ? ? . 62 ASN A CB 24 ATOM 486 C CG . ASN A 24 62 . 15.281 -11.008 12.021 1.00 78.15 ? ? ? ? ? . 62 ASN A CG 24 ATOM 487 O OD1 . ASN A 24 62 . 16.198 -10.870 12.856 1.00 91.63 ? ? ? ? ? . 62 ASN A OD1 24 ATOM 488 N ND2 . ASN A 24 62 . 15.124 -10.197 10.968 1.00 64.74 ? ? ? ? ? . 62 ASN A ND2 24 ATOM 489 N N . VAL A 24 63 . 13.822 -11.270 8.834 1.00 48.20 ? ? ? ? ? . 63 VAL A N 24 ATOM 490 C CA . VAL A 24 63 . 14.274 -11.311 7.468 1.00 49.01 ? ? ? ? ? . 63 VAL A CA 24 ATOM 491 C C . VAL A 24 63 . 15.340 -10.263 7.206 1.00 56.89 ? ? ? ? ? . 63 VAL A C 24 ATOM 492 O O . VAL A 24 63 . 15.943 -9.696 8.132 1.00 54.42 ? ? ? ? ? . 63 VAL A O 24 ATOM 493 C CB . VAL A 24 63 . 13.106 -11.149 6.463 1.00 52.06 ? ? ? ? ? . 63 VAL A CB 24 ATOM 494 C CG1 . VAL A 24 63 . 12.391 -12.475 6.227 1.00 52.56 ? ? ? ? ? . 63 VAL A CG1 24 ATOM 495 C CG2 . VAL A 24 63 . 12.112 -10.122 6.979 1.00 52.20 ? ? ? ? ? . 63 VAL A CG2 24 ATOM 496 N N . ALA A 24 64 . 15.550 -10.021 5.918 1.00 56.10 ? ? ? ? ? . 64 ALA A N 24 ATOM 497 C CA . ALA A 24 64 . 16.474 -9.035 5.441 1.00 56.06 ? ? ? ? ? . 64 ALA A CA 24 ATOM 498 C C . ALA A 24 64 . 15.747 -7.890 4.735 1.00 63.19 ? ? ? ? ? . 64 ALA A C 24 ATOM 499 O O . ALA A 24 64 . 15.035 -8.090 3.744 1.00 61.84 ? ? ? ? ? . 64 ALA A O 24 ATOM 500 C CB . ALA A 24 64 . 17.458 -9.690 4.496 1.00 56.63 ? ? ? ? ? . 64 ALA A CB 24 ATOM 501 N N . CYS A 24 65 . 15.891 -6.694 5.271 1.00 65.90 ? ? ? ? ? . 65 CYS A N 24 ATOM 502 C CA . CYS A 24 65 . 15.344 -5.525 4.619 1.00 68.96 ? ? ? ? ? . 65 CYS A CA 24 ATOM 503 C C . CYS A 24 65 . 15.814 -5.495 3.150 1.00 74.91 ? ? ? ? ? . 65 CYS A C 24 ATOM 504 O O . CYS A 24 65 . 16.854 -6.071 2.791 1.00 72.51 ? ? ? ? ? . 65 CYS A O 24 ATOM 505 C CB . CYS A 24 65 . 15.788 -4.185 5.333 1.00 68.69 ? ? ? ? ? . 65 CYS A CB 24 ATOM 506 S SG . CYS A 24 65 . 15.035 -3.871 6.965 1.00 71.45 ? ? ? ? ? . 65 CYS A SG 24 ATOM 507 N N . LYS A 24 66 . 15.109 -4.736 2.333 1.00 72.03 ? ? ? ? ? . 66 LYS A N 24 ATOM 508 C CA . LYS A 24 66 . 15.548 -4.492 0.994 1.00 72.56 ? ? ? ? ? . 66 LYS A CA 24 ATOM 509 C C . LYS A 24 66 . 16.715 -3.477 0.977 1.00 89.54 ? ? ? ? ? . 66 LYS A C 24 ATOM 510 O O . LYS A 24 66 . 16.947 -2.776 -0.012 1.00 93.48 ? ? ? ? ? . 66 LYS A O 24 ATOM 511 C CB . LYS A 24 66 . 14.404 -4.050 0.100 1.00 70.40 ? ? ? ? ? . 66 LYS A CB 24 ATOM 512 C CG . LYS A 24 66 . 13.913 -5.150 -0.810 1.00 53.29 ? ? ? ? ? . 66 LYS A CG 24 ATOM 513 C CD . LYS A 24 66 . 12.659 -4.758 -1.577 1.00 81.78 ? ? ? ? ? . 66 LYS A CD 24 ATOM 514 C CE . LYS A 24 66 . 12.700 -3.318 -2.090 1.00 100.00 ? ? ? ? ? . 66 LYS A CE 24 ATOM 515 N NZ . LYS A 24 66 . 11.749 -3.054 -3.195 1.00 87.75 ? ? ? ? ? . 66 LYS A NZ 24 ATOM 516 N N . ASN A 24 67 . 17.430 -3.389 2.109 1.00 85.69 ? ? ? ? ? . 67 ASN A N 24 ATOM 517 C CA . ASN A 24 67 . 18.579 -2.500 2.235 1.00 84.69 ? ? ? ? ? . 67 ASN A CA 24 ATOM 518 C C . ASN A 24 67 . 19.662 -3.096 3.105 1.00 88.66 ? ? ? ? ? . 67 ASN A C 24 ATOM 519 O O . ASN A 24 67 . 20.466 -3.905 2.658 1.00 86.84 ? ? ? ? ? . 67 ASN A O 24 ATOM 520 C CB . ASN A 24 67 . 18.187 -1.118 2.754 1.00 82.76 ? ? ? ? ? . 67 ASN A CB 24 ATOM 521 C CG . ASN A 24 67 . 16.708 -0.977 2.993 1.00 91.72 ? ? ? ? ? . 67 ASN A CG 24 ATOM 522 O OD1 . ASN A 24 67 . 16.250 -0.973 4.150 1.00 98.30 ? ? ? ? ? . 67 ASN A OD1 24 ATOM 523 N ND2 . ASN A 24 67 . 15.955 -0.839 1.904 1.00 67.25 ? ? ? ? ? . 67 ASN A ND2 24 ATOM 524 N N . GLY A 24 68 . 19.661 -2.693 4.362 1.00 89.47 ? ? ? ? ? . 68 GLY A N 24 ATOM 525 C CA . GLY A 24 68 . 20.632 -3.172 5.313 1.00 91.61 ? ? ? ? ? . 68 GLY A CA 24 ATOM 526 C C . GLY A 24 68 . 20.360 -4.592 5.744 1.00 100.00 ? ? ? ? ? . 68 GLY A C 24 ATOM 527 O O . GLY A 24 68 . 21.274 -5.415 5.775 1.00 100.00 ? ? ? ? ? . 68 GLY A O 24 ATOM 528 N N . GLN A 24 69 . 19.103 -4.824 6.152 1.00 98.03 ? ? ? ? ? . 69 GLN A N 24 ATOM 529 C CA . GLN A 24 69 . 18.578 -6.127 6.575 1.00 97.21 ? ? ? ? ? . 69 GLN A CA 24 ATOM 530 C C . GLN A 24 69 . 18.008 -6.099 7.961 1.00 100.00 ? ? ? ? ? . 69 GLN A C 24 ATOM 531 O O . GLN A 24 69 . 17.742 -5.024 8.515 1.00 97.80 ? ? ? ? ? . 69 GLN A O 24 ATOM 532 C CB . GLN A 24 69 . 19.537 -7.328 6.376 1.00 98.20 ? ? ? ? ? . 69 GLN A CB 24 ATOM 533 C CG . GLN A 24 69 . 19.913 -7.551 4.888 1.00 100.00 ? ? ? ? ? . 69 GLN A CG 24 ATOM 534 C CD . GLN A 24 69 . 20.533 -8.921 4.597 1.00 100.00 ? ? ? ? ? . 69 GLN A CD 24 ATOM 535 O OE1 . GLN A 24 69 . 20.064 -9.958 5.097 1.00 100.00 ? ? ? ? ? . 69 GLN A OE1 24 ATOM 536 N NE2 . GLN A 24 69 . 21.552 -8.938 3.737 1.00 76.79 ? ? ? ? ? . 69 GLN A NE2 24 ATOM 537 N N . THR A 24 70 . 17.745 -7.315 8.462 1.00 99.58 ? ? ? ? ? . 70 THR A N 24 ATOM 538 C CA . THR A 24 70 . 17.158 -7.547 9.762 1.00 98.60 ? ? ? ? ? . 70 THR A CA 24 ATOM 539 C C . THR A 24 70 . 17.127 -6.310 10.612 1.00 99.28 ? ? ? ? ? . 70 THR A C 24 ATOM 540 O O . THR A 24 70 . 18.084 -5.536 10.661 1.00 100.00 ? ? ? ? ? . 70 THR A O 24 ATOM 541 C CB . THR A 24 70 . 17.837 -8.665 10.495 1.00 100.00 ? ? ? ? ? . 70 THR A CB 24 ATOM 542 O OG1 . THR A 24 70 . 17.048 -9.045 11.598 1.00 100.00 ? ? ? ? ? . 70 THR A OG1 24 ATOM 543 C CG2 . THR A 24 70 . 19.143 -8.126 10.987 1.00 100.00 ? ? ? ? ? . 70 THR A CG2 24 ATOM 544 N N . ASN A 24 71 . 16.204 -6.360 11.524 1.00 90.11 ? ? ? ? ? . 71 ASN A N 24 ATOM 545 C CA . ASN A 24 71 . 15.511 -5.258 12.025 1.00 84.28 ? ? ? ? ? . 71 ASN A CA 24 ATOM 546 C C . ASN A 24 71 . 14.394 -5.111 11.026 1.00 70.69 ? ? ? ? ? . 71 ASN A C 24 ATOM 547 O O . ASN A 24 71 . 13.674 -4.115 10.942 1.00 69.87 ? ? ? ? ? . 71 ASN A O 24 ATOM 548 C CB . ASN A 24 71 . 16.417 -4.006 12.110 1.00 78.98 ? ? ? ? ? . 71 ASN A CB 24 ATOM 549 C CG . ASN A 24 71 . 15.957 -2.951 13.102 1.00 67.17 ? ? ? ? ? . 71 ASN A CG 24 ATOM 550 O OD1 . ASN A 24 71 . 16.020 -1.752 12.803 1.00 78.16 ? ? ? ? ? . 71 ASN A OD1 24 ATOM 551 N ND2 . ASN A 24 71 . 15.561 -3.377 14.308 1.00 55.38 ? ? ? ? ? . 71 ASN A ND2 24 ATOM 552 N N . CYS A 24 72 . 14.397 -6.135 10.167 1.00 57.26 ? ? ? ? ? . 72 CYS A N 24 ATOM 553 C CA . CYS A 24 72 . 13.362 -6.441 9.254 1.00 57.47 ? ? ? ? ? . 72 CYS A CA 24 ATOM 554 C C . CYS A 24 72 . 12.667 -7.756 9.613 1.00 48.73 ? ? ? ? ? . 72 CYS A C 24 ATOM 555 O O . CYS A 24 72 . 13.287 -8.777 9.839 1.00 44.27 ? ? ? ? ? . 72 CYS A O 24 ATOM 556 C CB . CYS A 24 72 . 13.853 -6.455 7.823 1.00 62.70 ? ? ? ? ? . 72 CYS A CB 24 ATOM 557 S SG . CYS A 24 72 . 13.381 -4.958 6.952 1.00 70.35 ? ? ? ? ? . 72 CYS A SG 24 ATOM 558 N N . TYR A 24 73 . 11.372 -7.688 9.706 1.00 39.26 ? ? ? ? ? . 73 TYR A N 24 ATOM 559 C CA . TYR A 24 73 . 10.583 -8.783 10.137 1.00 35.89 ? ? ? ? ? . 73 TYR A CA 24 ATOM 560 C C . TYR A 24 73 . 9.436 -9.029 9.187 1.00 37.72 ? ? ? ? ? . 73 TYR A C 24 ATOM 561 O O . TYR A 24 73 . 8.864 -8.103 8.619 1.00 36.50 ? ? ? ? ? . 73 TYR A O 24 ATOM 562 C CB . TYR A 24 73 . 10.097 -8.571 11.588 1.00 35.34 ? ? ? ? ? . 73 TYR A CB 24 ATOM 563 C CG . TYR A 24 73 . 11.228 -8.228 12.529 1.00 41.18 ? ? ? ? ? . 73 TYR A CG 24 ATOM 564 C CD1 . TYR A 24 73 . 11.865 -6.983 12.468 1.00 44.75 ? ? ? ? ? . 73 TYR A CD1 24 ATOM 565 C CD2 . TYR A 24 73 . 11.707 -9.174 13.438 1.00 42.99 ? ? ? ? ? . 73 TYR A CD2 24 ATOM 566 C CE1 . TYR A 24 73 . 12.919 -6.665 13.330 1.00 46.23 ? ? ? ? ? . 73 TYR A CE1 24 ATOM 567 C CE2 . TYR A 24 73 . 12.789 -8.893 14.274 1.00 43.06 ? ? ? ? ? . 73 TYR A CE2 24 ATOM 568 C CZ . TYR A 24 73 . 13.390 -7.632 14.221 1.00 56.56 ? ? ? ? ? . 73 TYR A CZ 24 ATOM 569 O OH . TYR A 24 73 . 14.477 -7.352 15.016 1.00 64.51 ? ? ? ? ? . 73 TYR A OH 24 ATOM 570 N N . GLN A 24 74 . 9.138 -10.279 8.978 1.00 29.25 ? ? ? ? ? . 74 GLN A N 24 ATOM 571 C CA . GLN A 24 74 . 8.160 -10.645 8.050 1.00 29.35 ? ? ? ? ? . 74 GLN A CA 24 ATOM 572 C C . GLN A 24 74 . 6.960 -11.183 8.759 1.00 33.79 ? ? ? ? ? . 74 GLN A C 24 ATOM 573 O O . GLN A 24 74 . 7.105 -11.879 9.739 1.00 38.92 ? ? ? ? ? . 74 GLN A O 24 ATOM 574 C CB . GLN A 24 74 . 8.757 -11.677 7.089 1.00 34.33 ? ? ? ? ? . 74 GLN A CB 24 ATOM 575 C CG . GLN A 24 74 . 7.795 -12.136 5.993 1.00 70.08 ? ? ? ? ? . 74 GLN A CG 24 ATOM 576 C CD . GLN A 24 74 . 8.117 -13.523 5.485 1.00 68.57 ? ? ? ? ? . 74 GLN A CD 24 ATOM 577 O OE1 . GLN A 24 74 . 9.076 -14.167 5.952 1.00 55.58 ? ? ? ? ? . 74 GLN A OE1 24 ATOM 578 N NE2 . GLN A 24 74 . 7.304 -14.003 4.558 1.00 59.61 ? ? ? ? ? . 74 GLN A NE2 24 ATOM 579 N N . SER A 24 75 . 5.749 -10.793 8.291 1.00 31.93 ? ? ? ? ? . 75 SER A N 24 ATOM 580 C CA . SER A 24 75 . 4.474 -11.254 8.896 1.00 34.17 ? ? ? ? ? . 75 SER A CA 24 ATOM 581 C C . SER A 24 75 . 4.280 -12.736 8.698 1.00 42.12 ? ? ? ? ? . 75 SER A C 24 ATOM 582 O O . SER A 24 75 . 4.418 -13.247 7.585 1.00 38.07 ? ? ? ? ? . 75 SER A O 24 ATOM 583 C CB . SER A 24 75 . 3.253 -10.495 8.372 1.00 38.92 ? ? ? ? ? . 75 SER A CB 24 ATOM 584 O OG . SER A 24 75 . 2.909 -10.960 7.067 1.00 44.09 ? ? ? ? ? . 75 SER A OG 24 ATOM 585 N N . TYR A 24 76 . 3.930 -13.437 9.749 1.00 44.09 ? ? ? ? ? . 76 TYR A N 24 ATOM 586 C CA . TYR A 24 76 . 3.784 -14.855 9.579 1.00 51.63 ? ? ? ? ? . 76 TYR A CA 24 ATOM 587 C C . TYR A 24 76 . 2.913 -15.130 8.383 1.00 65.01 ? ? ? ? ? . 76 TYR A C 24 ATOM 588 O O . TYR A 24 76 . 3.385 -15.516 7.304 1.00 67.96 ? ? ? ? ? . 76 TYR A O 24 ATOM 589 C CB . TYR A 24 76 . 3.296 -15.639 10.864 1.00 54.67 ? ? ? ? ? . 76 TYR A CB 24 ATOM 590 C CG . TYR A 24 76 . 4.372 -15.810 11.955 1.00 54.57 ? ? ? ? ? . 76 TYR A CG 24 ATOM 591 C CD1 . TYR A 24 76 . 5.379 -16.774 11.836 1.00 56.98 ? ? ? ? ? . 76 TYR A CD1 24 ATOM 592 C CD2 . TYR A 24 76 . 4.384 -14.985 13.082 1.00 53.95 ? ? ? ? ? . 76 TYR A CD2 24 ATOM 593 C CE1 . TYR A 24 76 . 6.402 -16.879 12.782 1.00 55.25 ? ? ? ? ? . 76 TYR A CE1 24 ATOM 594 C CE2 . TYR A 24 76 . 5.388 -15.082 14.046 1.00 55.10 ? ? ? ? ? . 76 TYR A CE2 24 ATOM 595 C CZ . TYR A 24 76 . 6.394 -16.036 13.894 1.00 63.99 ? ? ? ? ? . 76 TYR A CZ 24 ATOM 596 O OH . TYR A 24 76 . 7.377 -16.135 14.834 1.00 67.23 ? ? ? ? ? . 76 TYR A OH 24 ATOM 597 N N . SER A 24 77 . 1.672 -14.779 8.533 1.00 66.03 ? ? ? ? ? . 77 SER A N 24 ATOM 598 C CA . SER A 24 77 . 0.712 -15.072 7.525 1.00 67.81 ? ? ? ? ? . 77 SER A CA 24 ATOM 599 C C . SER A 24 77 . 0.390 -13.907 6.636 1.00 62.16 ? ? ? ? ? . 77 SER A C 24 ATOM 600 O O . SER A 24 77 . 1.217 -13.009 6.397 1.00 51.27 ? ? ? ? ? . 77 SER A O 24 ATOM 601 C CB . SER A 24 77 . -0.562 -15.653 8.121 1.00 78.86 ? ? ? ? ? . 77 SER A CB 24 ATOM 602 O OG . SER A 24 77 . -1.463 -15.990 7.089 1.00 100.00 ? ? ? ? ? . 77 SER A OG 24 ATOM 603 N N . THR A 24 78 . -0.870 -13.934 6.214 1.00 60.01 ? ? ? ? ? . 78 THR A N 24 ATOM 604 C CA . THR A 24 78 . -1.439 -13.022 5.281 1.00 59.17 ? ? ? ? ? . 78 THR A CA 24 ATOM 605 C C . THR A 24 78 . -2.160 -11.873 5.939 1.00 64.30 ? ? ? ? ? . 78 THR A C 24 ATOM 606 O O . THR A 24 78 . -3.044 -12.066 6.796 1.00 62.01 ? ? ? ? ? . 78 THR A O 24 ATOM 607 C CB . THR A 24 78 . -2.370 -13.750 4.320 1.00 63.75 ? ? ? ? ? . 78 THR A CB 24 ATOM 608 O OG1 . THR A 24 78 . -1.942 -13.517 3.007 1.00 70.96 ? ? ? ? ? . 78 THR A OG1 24 ATOM 609 C CG2 . THR A 24 78 . -3.826 -13.287 4.510 1.00 53.52 ? ? ? ? ? . 78 THR A CG2 24 ATOM 610 N N . MET A 24 79 . -1.839 -10.668 5.426 1.00 61.18 ? ? ? ? ? . 79 MET A N 24 ATOM 611 C CA . MET A 24 79 . -2.422 -9.424 5.866 1.00 56.42 ? ? ? ? ? . 79 MET A CA 24 ATOM 612 C C . MET A 24 79 . -3.333 -8.843 4.809 1.00 50.56 ? ? ? ? ? . 79 MET A C 24 ATOM 613 O O . MET A 24 79 . -3.018 -8.854 3.612 1.00 47.26 ? ? ? ? ? . 79 MET A O 24 ATOM 614 C CB . MET A 24 79 . -1.335 -8.375 6.243 1.00 58.26 ? ? ? ? ? . 79 MET A CB 24 ATOM 615 C CG . MET A 24 79 . -0.251 -8.917 7.166 1.00 61.82 ? ? ? ? ? . 79 MET A CG 24 ATOM 616 S SD . MET A 24 79 . -0.376 -8.276 8.849 1.00 65.47 ? ? ? ? ? . 79 MET A SD 24 ATOM 617 C CE . MET A 24 79 . -0.581 -9.830 9.758 1.00 62.63 ? ? ? ? ? . 79 MET A CE 24 ATOM 618 N N . SER A 24 80 . -4.429 -8.272 5.275 1.00 44.28 ? ? ? ? ? . 80 SER A N 24 ATOM 619 C CA . SER A 24 80 . -5.316 -7.522 4.430 1.00 45.11 ? ? ? ? ? . 80 SER A CA 24 ATOM 620 C C . SER A 24 80 . -4.656 -6.234 4.008 1.00 45.33 ? ? ? ? ? . 80 SER A C 24 ATOM 621 O O . SER A 24 80 . -4.468 -5.343 4.822 1.00 45.18 ? ? ? ? ? . 80 SER A O 24 ATOM 622 C CB . SER A 24 80 . -6.607 -7.208 5.142 1.00 54.25 ? ? ? ? ? . 80 SER A CB 24 ATOM 623 O OG . SER A 24 80 . -7.000 -5.887 4.836 1.00 66.43 ? ? ? ? ? . 80 SER A OG 24 ATOM 624 N N . ILE A 24 81 . -4.269 -6.168 2.746 1.00 38.64 ? ? ? ? ? . 81 ILE A N 24 ATOM 625 C CA . ILE A 24 81 . -3.588 -5.020 2.215 1.00 36.40 ? ? ? ? ? . 81 ILE A CA 24 ATOM 626 C C . ILE A 24 81 . -4.391 -4.349 1.148 1.00 44.50 ? ? ? ? ? . 81 ILE A C 24 ATOM 627 O O . ILE A 24 81 . -5.161 -4.981 0.435 1.00 49.96 ? ? ? ? ? . 81 ILE A O 24 ATOM 628 C CB . ILE A 24 81 . -2.264 -5.412 1.648 1.00 39.56 ? ? ? ? ? . 81 ILE A CB 24 ATOM 629 C CG1 . ILE A 24 81 . -1.166 -5.178 2.663 1.00 41.43 ? ? ? ? ? . 81 ILE A CG1 24 ATOM 630 C CG2 . ILE A 24 81 . -2.004 -4.600 0.401 1.00 44.28 ? ? ? ? ? . 81 ILE A CG2 24 ATOM 631 C CD1 . ILE A 24 81 . -0.688 -6.455 3.319 1.00 36.17 ? ? ? ? ? . 81 ILE A CD1 24 ATOM 632 N N . THR A 24 82 . -4.237 -3.062 1.051 1.00 38.22 ? ? ? ? ? . 82 THR A N 24 ATOM 633 C CA . THR A 24 82 . -4.781 -2.341 -0.066 1.00 36.34 ? ? ? ? ? . 82 THR A CA 24 ATOM 634 C C . THR A 24 82 . -3.688 -1.579 -0.793 1.00 39.90 ? ? ? ? ? . 82 THR A C 24 ATOM 635 O O . THR A 24 82 . -2.839 -0.963 -0.178 1.00 43.34 ? ? ? ? ? . 82 THR A O 24 ATOM 636 C CB . THR A 24 82 . -5.949 -1.448 0.302 1.00 32.33 ? ? ? ? ? . 82 THR A CB 24 ATOM 637 O OG1 . THR A 24 82 . -6.986 -2.233 0.831 1.00 38.56 ? ? ? ? ? . 82 THR A OG1 24 ATOM 638 C CG2 . THR A 24 82 . -6.442 -0.727 -0.947 1.00 31.41 ? ? ? ? ? . 82 THR A CG2 24 ATOM 639 N N . ASP A 24 83 . -3.617 -1.759 -2.079 1.00 34.24 ? ? ? ? ? . 83 ASP A N 24 ATOM 640 C CA . ASP A 24 83 . -2.625 -1.076 -2.868 1.00 33.34 ? ? ? ? ? . 83 ASP A CA 24 ATOM 641 C C . ASP A 24 83 . -3.232 0.104 -3.622 1.00 35.43 ? ? ? ? ? . 83 ASP A C 24 ATOM 642 O O . ASP A 24 83 . -4.295 -0.009 -4.208 1.00 36.24 ? ? ? ? ? . 83 ASP A O 24 ATOM 643 C CB . ASP A 24 83 . -1.874 -2.045 -3.813 1.00 37.97 ? ? ? ? ? . 83 ASP A CB 24 ATOM 644 C CG . ASP A 24 83 . -0.379 -1.801 -3.850 1.00 80.52 ? ? ? ? ? . 83 ASP A CG 24 ATOM 645 O OD1 . ASP A 24 83 . 0.150 -0.785 -3.431 1.00 86.55 ? ? ? ? ? . 83 ASP A OD1 24 ATOM 646 O OD2 . ASP A 24 83 . 0.284 -2.774 -4.420 1.00 97.91 ? ? ? ? ? . 83 ASP A OD2 24 ATOM 647 N N . CYS A 24 84 . -2.605 1.261 -3.482 1.00 30.32 ? ? ? ? ? . 84 CYS A N 24 ATOM 648 C CA . CYS A 24 84 . -3.047 2.455 -4.148 1.00 31.93 ? ? ? ? ? . 84 CYS A CA 24 ATOM 649 C C . CYS A 24 84 . -2.097 2.776 -5.244 1.00 41.57 ? ? ? ? ? . 84 CYS A C 24 ATOM 650 O O . CYS A 24 84 . -0.901 2.866 -5.009 1.00 40.50 ? ? ? ? ? . 84 CYS A O 24 ATOM 651 C CB . CYS A 24 84 . -3.178 3.658 -3.187 1.00 34.34 ? ? ? ? ? . 84 CYS A CB 24 ATOM 652 S SG . CYS A 24 84 . -4.523 3.473 -1.973 1.00 40.46 ? ? ? ? ? . 84 CYS A SG 24 ATOM 653 N N . ARG A 24 85 . -2.626 2.845 -6.468 1.00 47.07 ? ? ? ? ? . 85 ARG A N 24 ATOM 654 C CA . ARG A 24 85 . -1.813 2.979 -7.662 1.00 49.35 ? ? ? ? ? . 85 ARG A CA 24 ATOM 655 C C . ARG A 24 85 . -2.215 4.164 -8.486 1.00 52.04 ? ? ? ? ? . 85 ARG A C 24 ATOM 656 O O . ARG A 24 85 . -3.322 4.215 -8.981 1.00 55.07 ? ? ? ? ? . 85 ARG A O 24 ATOM 657 C CB . ARG A 24 85 . -1.889 1.699 -8.470 1.00 55.10 ? ? ? ? ? . 85 ARG A CB 24 ATOM 658 C CG . ARG A 24 85 . -1.686 0.485 -7.570 1.00 89.24 ? ? ? ? ? . 85 ARG A CG 24 ATOM 659 C CD . ARG A 24 85 . -0.483 -0.346 -7.953 1.00 95.08 ? ? ? ? ? . 85 ARG A CD 24 ATOM 660 N NE . ARG A 24 85 . -0.568 -0.676 -9.326 1.00 93.15 ? ? ? ? ? . 85 ARG A NE 24 ATOM 661 C CZ . ARG A 24 85 . -0.154 0.109 -10.288 1.00 100.00 ? ? ? ? ? . 85 ARG A CZ 24 ATOM 662 N NH1 . ARG A 24 85 . 0.581 1.209 -10.066 1.00 100.00 ? ? ? ? ? . 85 ARG A NH1 24 ATOM 663 N NH2 . ARG A 24 85 . -0.463 -0.219 -11.492 1.00 100.00 ? ? ? ? ? . 85 ARG A NH2 24 ATOM 664 N N . GLU A 24 86 . -1.282 5.113 -8.635 1.00 48.08 ? ? ? ? ? . 86 GLU A N 24 ATOM 665 C CA . GLU A 24 86 . -1.513 6.354 -9.364 1.00 50.75 ? ? ? ? ? . 86 GLU A CA 24 ATOM 666 C C . GLU A 24 86 . -2.058 6.139 -10.756 1.00 58.94 ? ? ? ? ? . 86 GLU A C 24 ATOM 667 O O . GLU A 24 86 . -1.786 5.126 -11.399 1.00 55.48 ? ? ? ? ? . 86 GLU A O 24 ATOM 668 C CB . GLU A 24 86 . -0.254 7.233 -9.401 1.00 53.08 ? ? ? ? ? . 86 GLU A CB 24 ATOM 669 C CG . GLU A 24 86 . -0.401 8.450 -10.328 1.00 70.38 ? ? ? ? ? . 86 GLU A CG 24 ATOM 670 C CD . GLU A 24 86 . 0.144 9.716 -9.732 1.00 88.97 ? ? ? ? ? . 86 GLU A CD 24 ATOM 671 O OE1 . GLU A 24 86 . 1.254 9.803 -9.234 1.00 56.50 ? ? ? ? ? . 86 GLU A OE1 24 ATOM 672 O OE2 . GLU A 24 86 . -0.681 10.730 -9.851 1.00 89.09 ? ? ? ? ? . 86 GLU A OE2 24 ATOM 673 N N . THR A 24 87 . -2.801 7.151 -11.232 1.00 63.12 ? ? ? ? ? . 87 THR A N 24 ATOM 674 C CA . THR A 24 87 . -3.440 7.113 -12.531 1.00 65.71 ? ? ? ? ? . 87 THR A CA 24 ATOM 675 C C . THR A 24 87 . -4.194 8.415 -12.836 1.00 86.69 ? ? ? ? ? . 87 THR A C 24 ATOM 676 O O . THR A 24 87 . -5.133 8.775 -12.134 1.00 89.65 ? ? ? ? ? . 87 THR A O 24 ATOM 677 C CB . THR A 24 87 . -4.358 5.894 -12.651 1.00 58.41 ? ? ? ? ? . 87 THR A CB 24 ATOM 678 O OG1 . THR A 24 87 . -4.842 5.800 -13.960 1.00 67.72 ? ? ? ? ? . 87 THR A OG1 24 ATOM 679 C CG2 . THR A 24 87 . -5.525 6.011 -11.668 1.00 60.06 ? ? ? ? ? . 87 THR A CG2 24 ATOM 680 N N . GLY A 24 88 . -3.740 9.120 -13.895 1.00 90.63 ? ? ? ? ? . 88 GLY A N 24 ATOM 681 C CA . GLY A 24 88 . -4.258 10.414 -14.315 1.00 91.55 ? ? ? ? ? . 88 GLY A CA 24 ATOM 682 C C . GLY A 24 88 . -3.186 11.266 -15.032 1.00 97.64 ? ? ? ? ? . 88 GLY A C 24 ATOM 683 O O . GLY A 24 88 . -3.363 12.462 -15.244 1.00 100.00 ? ? ? ? ? . 88 GLY A O 24 ATOM 684 N N . SER A 24 89 . -2.084 10.636 -15.432 1.00 92.69 ? ? ? ? ? . 89 SER A N 24 ATOM 685 C CA . SER A 24 89 . -1.033 11.330 -16.183 1.00 93.34 ? ? ? ? ? . 89 SER A CA 24 ATOM 686 C C . SER A 24 89 . -0.318 12.471 -15.410 1.00 99.23 ? ? ? ? ? . 89 SER A C 24 ATOM 687 O O . SER A 24 89 . 0.463 12.226 -14.509 1.00 100.00 ? ? ? ? ? . 89 SER A O 24 ATOM 688 C CB . SER A 24 89 . -1.541 11.835 -17.515 1.00 97.93 ? ? ? ? ? . 89 SER A CB 24 ATOM 689 O OG . SER A 24 89 . -2.900 11.476 -17.674 1.00 100.00 ? ? ? ? ? . 89 SER A OG 24 ATOM 690 N N . SER A 24 90 . -0.630 13.722 -15.820 1.00 94.17 ? ? ? ? ? . 90 SER A N 24 ATOM 691 C CA . SER A 24 90 . 0.039 15.013 -15.441 1.00 93.53 ? ? ? ? ? . 90 SER A CA 24 ATOM 692 C C . SER A 24 90 . 0.605 15.212 -13.985 1.00 93.74 ? ? ? ? ? . 90 SER A C 24 ATOM 693 O O . SER A 24 90 . -0.037 14.842 -12.978 1.00 88.26 ? ? ? ? ? . 90 SER A O 24 ATOM 694 C CB . SER A 24 90 . -0.799 16.184 -15.870 1.00 97.41 ? ? ? ? ? . 90 SER A CB 24 ATOM 695 O OG . SER A 24 90 . -1.930 15.706 -16.579 1.00 100.00 ? ? ? ? ? . 90 SER A OG 24 ATOM 696 N N . LYS A 24 91 . 1.718 16.069 -13.928 1.00 90.96 ? ? ? ? ? . 91 LYS A N 24 ATOM 697 C CA . LYS A 24 91 . 2.544 16.396 -12.711 1.00 89.96 ? ? ? ? ? . 91 LYS A CA 24 ATOM 698 C C . LYS A 24 91 . 2.054 17.600 -11.904 1.00 93.99 ? ? ? ? ? . 91 LYS A C 24 ATOM 699 O O . LYS A 24 91 . 2.807 18.565 -11.687 1.00 90.59 ? ? ? ? ? . 91 LYS A O 24 ATOM 700 C CB . LYS A 24 91 . 4.036 16.587 -13.050 1.00 90.96 ? ? ? ? ? . 91 LYS A CB 24 ATOM 701 C CG . LYS A 24 91 . 4.297 17.699 -14.075 1.00 100.00 ? ? ? ? ? . 91 LYS A CG 24 ATOM 702 C CD . LYS A 24 91 . 5.758 17.795 -14.527 1.00 91.07 ? ? ? ? ? . 91 LYS A CD 24 ATOM 703 C CE . LYS A 24 91 . 6.379 19.149 -14.236 1.00 57.78 ? ? ? ? ? . 91 LYS A CE 24 ATOM 704 N NZ . LYS A 24 91 . 7.684 19.353 -14.887 1.00 84.44 ? ? ? ? ? . 91 LYS A NZ 24 ATOM 705 N N . TYR A 24 92 . 0.834 17.477 -11.352 1.00 93.73 ? ? ? ? ? . 92 TYR A N 24 ATOM 706 C CA . TYR A 24 92 . 0.249 18.524 -10.515 1.00 94.67 ? ? ? ? ? . 92 TYR A CA 24 ATOM 707 C C . TYR A 24 92 . -0.884 18.001 -9.603 1.00 100.00 ? ? ? ? ? . 92 TYR A C 24 ATOM 708 O O . TYR A 24 92 . -0.975 16.784 -9.375 1.00 100.00 ? ? ? ? ? . 92 TYR A O 24 ATOM 709 C CB . TYR A 24 92 . -0.157 19.752 -11.327 1.00 94.52 ? ? ? ? ? . 92 TYR A CB 24 ATOM 710 C CG . TYR A 24 92 . 0.827 20.874 -11.153 1.00 95.03 ? ? ? ? ? . 92 TYR A CG 24 ATOM 711 C CD1 . TYR A 24 92 . 1.689 20.875 -10.056 1.00 97.61 ? ? ? ? ? . 92 TYR A CD1 24 ATOM 712 C CD2 . TYR A 24 92 . 0.880 21.946 -12.044 1.00 94.40 ? ? ? ? ? . 92 TYR A CD2 24 ATOM 713 C CE1 . TYR A 24 92 . 2.582 21.920 -9.833 1.00 98.39 ? ? ? ? ? . 92 TYR A CE1 24 ATOM 714 C CE2 . TYR A 24 92 . 1.788 22.989 -11.854 1.00 94.29 ? ? ? ? ? . 92 TYR A CE2 24 ATOM 715 C CZ . TYR A 24 92 . 2.608 22.989 -10.725 1.00 100.00 ? ? ? ? ? . 92 TYR A CZ 24 ATOM 716 O OH . TYR A 24 92 . 3.496 24.006 -10.528 1.00 100.00 ? ? ? ? ? . 92 TYR A OH 24 ATOM 717 N N . PRO A 24 93 . -1.754 18.917 -9.056 1.00 93.46 ? ? ? ? ? . 93 PRO A N 24 ATOM 718 C CA . PRO A 24 93 . -2.833 18.460 -8.199 1.00 91.93 ? ? ? ? ? . 93 PRO A CA 24 ATOM 719 C C . PRO A 24 93 . -3.666 17.303 -8.780 1.00 92.50 ? ? ? ? ? . 93 PRO A C 24 ATOM 720 O O . PRO A 24 93 . -4.479 16.689 -8.077 1.00 89.99 ? ? ? ? ? . 93 PRO A O 24 ATOM 721 C CB . PRO A 24 93 . -3.697 19.687 -7.896 1.00 94.16 ? ? ? ? ? . 93 PRO A CB 24 ATOM 722 C CG . PRO A 24 93 . -2.863 20.912 -8.240 1.00 97.93 ? ? ? ? ? . 93 PRO A CG 24 ATOM 723 C CD . PRO A 24 93 . -1.621 20.411 -8.932 1.00 93.24 ? ? ? ? ? . 93 PRO A CD 24 ATOM 724 N N . ASN A 24 94 . -3.393 16.966 -10.040 1.00 89.80 ? ? ? ? ? . 94 ASN A N 24 ATOM 725 C CA . ASN A 24 94 . -4.054 15.878 -10.740 1.00 89.41 ? ? ? ? ? . 94 ASN A CA 24 ATOM 726 C C . ASN A 24 94 . -3.524 14.526 -10.315 1.00 88.55 ? ? ? ? ? . 94 ASN A C 24 ATOM 727 O O . ASN A 24 94 . -2.610 13.984 -10.941 1.00 89.47 ? ? ? ? ? . 94 ASN A O 24 ATOM 728 C CB . ASN A 24 94 . -3.936 16.055 -12.280 1.00 95.24 ? ? ? ? ? . 94 ASN A CB 24 ATOM 729 C CG . ASN A 24 94 . -4.052 14.763 -13.085 1.00 100.00 ? ? ? ? ? . 94 ASN A CG 24 ATOM 730 O OD1 . ASN A 24 94 . -5.136 14.425 -13.594 1.00 87.87 ? ? ? ? ? . 94 ASN A OD1 24 ATOM 731 N ND2 . ASN A 24 94 . -2.914 14.095 -13.288 1.00 100.00 ? ? ? ? ? . 94 ASN A ND2 24 ATOM 732 N N . CYS A 24 95 . -4.129 13.972 -9.251 1.00 79.97 ? ? ? ? ? . 95 CYS A N 24 ATOM 733 C CA . CYS A 24 95 . -3.764 12.657 -8.743 1.00 76.88 ? ? ? ? ? . 95 CYS A CA 24 ATOM 734 C C . CYS A 24 95 . -4.981 11.775 -8.554 1.00 65.20 ? ? ? ? ? . 95 CYS A C 24 ATOM 735 O O . CYS A 24 95 . -5.842 12.055 -7.740 1.00 66.62 ? ? ? ? ? . 95 CYS A O 24 ATOM 736 C CB . CYS A 24 95 . -2.966 12.745 -7.428 1.00 79.74 ? ? ? ? ? . 95 CYS A CB 24 ATOM 737 S SG . CYS A 24 95 . -1.171 12.842 -7.665 1.00 85.41 ? ? ? ? ? . 95 CYS A SG 24 ATOM 738 N N . ALA A 24 96 . -5.038 10.715 -9.316 1.00 47.45 ? ? ? ? ? . 96 ALA A N 24 ATOM 739 C CA . ALA A 24 96 . -6.061 9.741 -9.183 1.00 40.87 ? ? ? ? ? . 96 ALA A CA 24 ATOM 740 C C . ALA A 24 96 . -5.417 8.434 -8.968 1.00 43.77 ? ? ? ? ? . 96 ALA A C 24 ATOM 741 O O . ALA A 24 96 . -4.241 8.248 -9.326 1.00 41.21 ? ? ? ? ? . 96 ALA A O 24 ATOM 742 C CB . ALA A 24 96 . -6.957 9.693 -10.394 1.00 40.84 ? ? ? ? ? . 96 ALA A CB 24 ATOM 743 N N . TYR A 24 97 . -6.131 7.564 -8.263 1.00 36.93 ? ? ? ? ? . 97 TYR A N 24 ATOM 744 C CA . TYR A 24 97 . -5.597 6.297 -7.814 1.00 33.26 ? ? ? ? ? . 97 TYR A CA 24 ATOM 745 C C . TYR A 24 97 . -6.557 5.179 -8.109 1.00 43.88 ? ? ? ? ? . 97 TYR A C 24 ATOM 746 O O . TYR A 24 97 . -7.767 5.356 -8.039 1.00 47.77 ? ? ? ? ? . 97 TYR A O 24 ATOM 747 C CB . TYR A 24 97 . -5.296 6.307 -6.276 1.00 27.85 ? ? ? ? ? . 97 TYR A CB 24 ATOM 748 C CG . TYR A 24 97 . -4.128 7.162 -5.898 1.00 29.48 ? ? ? ? ? . 97 TYR A CG 24 ATOM 749 C CD1 . TYR A 24 97 . -2.818 6.753 -6.128 1.00 34.05 ? ? ? ? ? . 97 TYR A CD1 24 ATOM 750 C CD2 . TYR A 24 97 . -4.328 8.412 -5.321 1.00 32.36 ? ? ? ? ? . 97 TYR A CD2 24 ATOM 751 C CE1 . TYR A 24 97 . -1.736 7.592 -5.858 1.00 43.94 ? ? ? ? ? . 97 TYR A CE1 24 ATOM 752 C CE2 . TYR A 24 97 . -3.260 9.261 -5.021 1.00 34.80 ? ? ? ? ? . 97 TYR A CE2 24 ATOM 753 C CZ . TYR A 24 97 . -1.960 8.854 -5.312 1.00 48.14 ? ? ? ? ? . 97 TYR A CZ 24 ATOM 754 O OH . TYR A 24 97 . -0.907 9.675 -5.016 1.00 53.05 ? ? ? ? ? . 97 TYR A OH 24 ATOM 755 N N . LYS A 24 98 . -6.003 3.996 -8.336 1.00 40.98 ? ? ? ? ? . 98 LYS A N 24 ATOM 756 C CA . LYS A 24 98 . -6.784 2.799 -8.431 1.00 42.76 ? ? ? ? ? . 98 LYS A CA 24 ATOM 757 C C . LYS A 24 98 . -6.550 1.928 -7.231 1.00 44.54 ? ? ? ? ? . 98 LYS A C 24 ATOM 758 O O . LYS A 24 98 . -5.450 1.846 -6.711 1.00 44.18 ? ? ? ? ? . 98 LYS A O 24 ATOM 759 C CB . LYS A 24 98 . -6.577 2.030 -9.741 1.00 49.52 ? ? ? ? ? . 98 LYS A CB 24 ATOM 760 C CG . LYS A 24 98 . -5.108 1.854 -10.128 1.00 87.03 ? ? ? ? ? . 98 LYS A CG 24 ATOM 761 C CD . LYS A 24 98 . -4.874 1.815 -11.643 1.00 97.60 ? ? ? ? ? . 98 LYS A CD 24 ATOM 762 C CE . LYS A 24 98 . -5.492 2.993 -12.378 1.00 95.50 ? ? ? ? ? . 98 LYS A CE 24 ATOM 763 N NZ . LYS A 24 98 . -5.241 2.964 -13.825 1.00 92.93 ? ? ? ? ? . 98 LYS A NZ 24 ATOM 764 N N . THR A 24 99 . -7.607 1.328 -6.776 1.00 43.01 ? ? ? ? ? . 99 THR A N 24 ATOM 765 C CA . THR A 24 99 . -7.595 0.536 -5.585 1.00 45.56 ? ? ? ? ? . 99 THR A CA 24 ATOM 766 C C . THR A 24 99 . -7.511 -0.987 -5.859 1.00 56.94 ? ? ? ? ? . 99 THR A C 24 ATOM 767 O O . THR A 24 99 . -8.497 -1.635 -6.237 1.00 56.97 ? ? ? ? ? . 99 THR A O 24 ATOM 768 C CB . THR A 24 99 . -8.798 0.905 -4.698 1.00 51.45 ? ? ? ? ? . 99 THR A CB 24 ATOM 769 O OG1 . THR A 24 99 . -8.791 2.318 -4.454 1.00 46.68 ? ? ? ? ? . 99 THR A OG1 24 ATOM 770 C CG2 . THR A 24 99 . -8.770 0.111 -3.381 1.00 42.12 ? ? ? ? ? . 99 THR A CG2 24 ATOM 771 N N . THR A 24 100 . -6.310 -1.537 -5.648 1.00 57.79 ? ? ? ? ? . 100 THR A N 24 ATOM 772 C CA . THR A 24 100 . -6.040 -2.955 -5.828 1.00 58.88 ? ? ? ? ? . 100 THR A CA 24 ATOM 773 C C . THR A 24 100 . -5.915 -3.637 -4.505 1.00 66.69 ? ? ? ? ? . 100 THR A C 24 ATOM 774 O O . THR A 24 100 . -5.130 -3.227 -3.654 1.00 68.07 ? ? ? ? ? . 100 THR A O 24 ATOM 775 C CB . THR A 24 100 . -4.758 -3.187 -6.637 1.00 70.10 ? ? ? ? ? . 100 THR A CB 24 ATOM 776 O OG1 . THR A 24 100 . -5.068 -3.889 -7.812 1.00 77.68 ? ? ? ? ? . 100 THR A OG1 24 ATOM 777 C CG2 . THR A 24 100 . -3.742 -3.971 -5.806 1.00 65.81 ? ? ? ? ? . 100 THR A CG2 24 ATOM 778 N N . GLN A 24 101 . -6.686 -4.682 -4.317 1.00 65.18 ? ? ? ? ? . 101 GLN A N 24 ATOM 779 C CA . GLN A 24 101 . -6.698 -5.356 -3.034 1.00 63.43 ? ? ? ? ? . 101 GLN A CA 24 ATOM 780 C C . GLN A 24 101 . -6.106 -6.721 -3.043 1.00 62.75 ? ? ? ? ? . 101 GLN A C 24 ATOM 781 O O . GLN A 24 101 . -6.535 -7.613 -3.765 1.00 64.35 ? ? ? ? ? . 101 GLN A O 24 ATOM 782 C CB . GLN A 24 101 . -8.049 -5.345 -2.352 1.00 64.52 ? ? ? ? ? . 101 GLN A CB 24 ATOM 783 C CG . GLN A 24 101 . -7.942 -4.778 -0.943 1.00 94.51 ? ? ? ? ? . 101 GLN A CG 24 ATOM 784 C CD . GLN A 24 101 . -8.642 -5.621 0.061 1.00 98.51 ? ? ? ? ? . 101 GLN A CD 24 ATOM 785 O OE1 . GLN A 24 101 . -9.346 -5.103 0.930 1.00 96.78 ? ? ? ? ? . 101 GLN A OE1 24 ATOM 786 N NE2 . GLN A 24 101 . -8.469 -6.937 -0.064 1.00 67.91 ? ? ? ? ? . 101 GLN A NE2 24 ATOM 787 N N . ALA A 24 102 . -5.197 -6.908 -2.155 1.00 54.47 ? ? ? ? ? . 102 ALA A N 24 ATOM 788 C CA . ALA A 24 102 . -4.530 -8.120 -2.081 1.00 53.85 ? ? ? ? ? . 102 ALA A CA 24 ATOM 789 C C . ALA A 24 102 . -4.600 -8.721 -0.714 1.00 63.27 ? ? ? ? ? . 102 ALA A C 24 ATOM 790 O O . ALA A 24 102 . -5.264 -8.215 0.206 1.00 62.08 ? ? ? ? ? . 102 ALA A O 24 ATOM 791 C CB . ALA A 24 102 . -3.102 -7.918 -2.477 1.00 54.65 ? ? ? ? ? . 102 ALA A CB 24 ATOM 792 N N . ASN A 24 103 . -3.901 -9.814 -0.597 1.00 64.73 ? ? ? ? ? . 103 ASN A N 24 ATOM 793 C CA . ASN A 24 103 . -3.727 -10.523 0.638 1.00 64.69 ? ? ? ? ? . 103 ASN A CA 24 ATOM 794 C C . ASN A 24 103 . -2.304 -11.037 0.698 1.00 64.49 ? ? ? ? ? . 103 ASN A C 24 ATOM 795 O O . ASN A 24 103 . -2.008 -12.131 0.237 1.00 71.77 ? ? ? ? ? . 103 ASN A O 24 ATOM 796 C CB . ASN A 24 103 . -4.755 -11.674 0.798 1.00 71.25 ? ? ? ? ? . 103 ASN A CB 24 ATOM 797 C CG . ASN A 24 103 . -5.797 -11.728 -0.330 1.00 100.00 ? ? ? ? ? . 103 ASN A CG 24 ATOM 798 O OD1 . ASN A 24 103 . -6.931 -12.199 -0.126 1.00 100.00 ? ? ? ? ? . 103 ASN A OD1 24 ATOM 799 N ND2 . ASN A 24 103 . -5.403 -11.279 -1.529 1.00 93.54 ? ? ? ? ? . 103 ASN A ND2 24 ATOM 800 N N . LYS A 24 104 . -1.405 -10.153 1.027 1.00 48.98 ? ? ? ? ? . 104 LYS A N 24 ATOM 801 C CA . LYS A 24 104 . -0.025 -10.487 1.029 1.00 46.61 ? ? ? ? ? . 104 LYS A CA 24 ATOM 802 C C . LYS A 24 104 . 0.546 -10.384 2.402 1.00 53.40 ? ? ? ? ? . 104 LYS A C 24 ATOM 803 O O . LYS A 24 104 . -0.159 -10.090 3.353 1.00 51.41 ? ? ? ? ? . 104 LYS A O 24 ATOM 804 C CB . LYS A 24 104 . 0.754 -9.642 0.055 1.00 49.41 ? ? ? ? ? . 104 LYS A CB 24 ATOM 805 C CG . LYS A 24 104 . -0.152 -8.783 -0.810 1.00 92.72 ? ? ? ? ? . 104 LYS A CG 24 ATOM 806 C CD . LYS A 24 104 . 0.562 -7.597 -1.448 1.00 100.00 ? ? ? ? ? . 104 LYS A CD 24 ATOM 807 C CE . LYS A 24 104 . -0.389 -6.464 -1.803 1.00 100.00 ? ? ? ? ? . 104 LYS A CE 24 ATOM 808 N NZ . LYS A 24 104 . -0.832 -6.498 -3.205 1.00 100.00 ? ? ? ? ? . 104 LYS A NZ 24 ATOM 809 N N . HIS A 24 105 . 1.817 -10.670 2.499 1.00 53.56 ? ? ? ? ? . 105 HIS A N 24 ATOM 810 C CA . HIS A 24 105 . 2.508 -10.646 3.749 1.00 55.64 ? ? ? ? ? . 105 HIS A CA 24 ATOM 811 C C . HIS A 24 105 . 3.364 -9.457 3.796 1.00 50.16 ? ? ? ? ? . 105 HIS A C 24 ATOM 812 O O . HIS A 24 105 . 3.755 -8.935 2.763 1.00 50.75 ? ? ? ? ? . 105 HIS A O 24 ATOM 813 C CB . HIS A 24 105 . 3.350 -11.928 3.978 1.00 60.90 ? ? ? ? ? . 105 HIS A CB 24 ATOM 814 C CG . HIS A 24 105 . 4.730 -11.835 3.380 1.00 67.61 ? ? ? ? ? . 105 HIS A CG 24 ATOM 815 N ND1 . HIS A 24 105 . 5.783 -11.266 4.074 1.00 72.14 ? ? ? ? ? . 105 HIS A ND1 24 ATOM 816 C CD2 . HIS A 24 105 . 5.181 -12.160 2.130 1.00 71.29 ? ? ? ? ? . 105 HIS A CD2 24 ATOM 817 C CE1 . HIS A 24 105 . 6.846 -11.295 3.264 1.00 72.47 ? ? ? ? ? . 105 HIS A CE1 24 ATOM 818 N NE2 . HIS A 24 105 . 6.523 -11.834 2.100 1.00 72.13 ? ? ? ? ? . 105 HIS A NE2 24 ATOM 819 N N . ILE A 24 106 . 3.652 -9.003 4.986 1.00 39.47 ? ? ? ? ? . 106 ILE A N 24 ATOM 820 C CA . ILE A 24 106 . 4.393 -7.793 5.107 1.00 36.66 ? ? ? ? ? . 106 ILE A CA 24 ATOM 821 C C . ILE A 24 106 . 5.747 -7.981 5.693 1.00 32.97 ? ? ? ? ? . 106 ILE A C 24 ATOM 822 O O . ILE A 24 106 . 5.960 -8.815 6.561 1.00 31.69 ? ? ? ? ? . 106 ILE A O 24 ATOM 823 C CB . ILE A 24 106 . 3.630 -6.677 5.823 1.00 40.63 ? ? ? ? ? . 106 ILE A CB 24 ATOM 824 C CG1 . ILE A 24 106 . 3.602 -6.952 7.311 1.00 42.11 ? ? ? ? ? . 106 ILE A CG1 24 ATOM 825 C CG2 . ILE A 24 106 . 2.210 -6.554 5.276 1.00 40.38 ? ? ? ? ? . 106 ILE A CG2 24 ATOM 826 C CD1 . ILE A 24 106 . 2.541 -6.154 8.022 1.00 40.24 ? ? ? ? ? . 106 ILE A CD1 24 ATOM 827 N N . ILE A 24 107 . 6.663 -7.145 5.177 1.00 32.81 ? ? ? ? ? . 107 ILE A N 24 ATOM 828 C CA . ILE A 24 107 . 8.024 -6.992 5.633 1.00 33.20 ? ? ? ? ? . 107 ILE A CA 24 ATOM 829 C C . ILE A 24 107 . 8.208 -5.599 6.235 1.00 40.26 ? ? ? ? ? . 107 ILE A C 24 ATOM 830 O O . ILE A 24 107 . 8.009 -4.618 5.551 1.00 41.05 ? ? ? ? ? . 107 ILE A O 24 ATOM 831 C CB . ILE A 24 107 . 8.974 -7.197 4.475 1.00 35.41 ? ? ? ? ? . 107 ILE A CB 24 ATOM 832 C CG1 . ILE A 24 107 . 8.671 -8.539 3.806 1.00 35.00 ? ? ? ? ? . 107 ILE A CG1 24 ATOM 833 C CG2 . ILE A 24 107 . 10.403 -7.154 4.968 1.00 33.33 ? ? ? ? ? . 107 ILE A CG2 24 ATOM 834 C CD1 . ILE A 24 107 . 9.811 -9.041 2.930 1.00 49.62 ? ? ? ? ? . 107 ILE A CD1 24 ATOM 835 N N . VAL A 24 108 . 8.380 -5.535 7.561 1.00 37.02 ? ? ? ? ? . 108 VAL A N 24 ATOM 836 C CA . VAL A 24 108 . 8.485 -4.265 8.278 1.00 35.50 ? ? ? ? ? . 108 VAL A CA 24 ATOM 837 C C . VAL A 24 108 . 9.769 -4.141 9.097 1.00 40.12 ? ? ? ? ? . 108 VAL A C 24 ATOM 838 O O . VAL A 24 108 . 10.338 -5.123 9.538 1.00 42.22 ? ? ? ? ? . 108 VAL A O 24 ATOM 839 C CB . VAL A 24 108 . 7.250 -3.976 9.140 1.00 34.78 ? ? ? ? ? . 108 VAL A CB 24 ATOM 840 C CG1 . VAL A 24 108 . 5.998 -4.258 8.358 1.00 32.59 ? ? ? ? ? . 108 VAL A CG1 24 ATOM 841 C CG2 . VAL A 24 108 . 7.267 -4.824 10.387 1.00 34.91 ? ? ? ? ? . 108 VAL A CG2 24 ATOM 842 N N . ALA A 24 109 . 10.228 -2.914 9.266 1.00 35.08 ? ? ? ? ? . 109 ALA A N 24 ATOM 843 C CA . ALA A 24 109 . 11.358 -2.645 10.112 1.00 34.48 ? ? ? ? ? . 109 ALA A CA 24 ATOM 844 C C . ALA A 24 109 . 10.855 -2.055 11.386 1.00 41.57 ? ? ? ? ? . 109 ALA A C 24 ATOM 845 O O . ALA A 24 109 . 9.798 -1.441 11.405 1.00 37.44 ? ? ? ? ? . 109 ALA A O 24 ATOM 846 C CB . ALA A 24 109 . 12.347 -1.728 9.438 1.00 34.76 ? ? ? ? ? . 109 ALA A CB 24 ATOM 847 N N . CYS A 24 110 . 11.508 -2.380 12.475 1.00 44.19 ? ? ? ? ? . 110 CYS A N 24 ATOM 848 C CA . CYS A 24 110 . 11.004 -2.017 13.769 1.00 44.94 ? ? ? ? ? . 110 CYS A CA 24 ATOM 849 C C . CYS A 24 110 . 12.016 -1.394 14.680 1.00 59.42 ? ? ? ? ? . 110 CYS A C 24 ATOM 850 O O . CYS A 24 110 . 13.014 -2.023 15.026 1.00 62.63 ? ? ? ? ? . 110 CYS A O 24 ATOM 851 C CB . CYS A 24 110 . 10.357 -3.209 14.451 1.00 43.76 ? ? ? ? ? . 110 CYS A CB 24 ATOM 852 S SG . CYS A 24 110 . 9.015 -3.875 13.453 1.00 48.52 ? ? ? ? ? . 110 CYS A SG 24 ATOM 853 N N . GLU A 24 111 . 11.655 -0.204 15.193 1.00 58.41 ? ? ? ? ? . 111 GLU A N 24 ATOM 854 C CA . GLU A 24 111 . 12.418 0.475 16.213 1.00 60.90 ? ? ? ? ? . 111 GLU A CA 24 ATOM 855 C C . GLU A 24 111 . 11.772 0.233 17.549 1.00 74.74 ? ? ? ? ? . 111 GLU A C 24 ATOM 856 O O . GLU A 24 111 . 10.725 0.806 17.847 1.00 73.91 ? ? ? ? ? . 111 GLU A O 24 ATOM 857 C CB . GLU A 24 111 . 12.543 1.995 15.955 1.00 61.41 ? ? ? ? ? . 111 GLU A CB 24 ATOM 858 C CG . GLU A 24 111 . 13.655 2.366 14.964 1.00 64.41 ? ? ? ? ? . 111 GLU A CG 24 ATOM 859 C CD . GLU A 24 111 . 14.806 1.443 15.040 1.00 97.75 ? ? ? ? ? . 111 GLU A CD 24 ATOM 860 O OE1 . GLU A 24 111 . 15.410 1.227 16.072 1.00 100.00 ? ? ? ? ? . 111 GLU A OE1 24 ATOM 861 O OE2 . GLU A 24 111 . 15.078 0.880 13.883 1.00 100.00 ? ? ? ? ? . 111 GLU A OE2 24 ATOM 862 N N . GLY A 24 112 . 12.287 -0.774 18.256 1.00 79.52 ? ? ? ? ? . 112 GLY A N 24 ATOM 863 C CA . GLY A 24 112 . 11.732 -1.199 19.535 1.00 81.25 ? ? ? ? ? . 112 GLY A CA 24 ATOM 864 C C . GLY A 24 112 . 11.990 -0.179 20.616 1.00 89.33 ? ? ? ? ? . 112 GLY A C 24 ATOM 865 O O . GLY A 24 112 . 12.823 0.716 20.450 1.00 90.08 ? ? ? ? ? . 112 GLY A O 24 ATOM 866 N N . ASN A 24 113 . 11.246 -0.302 21.722 1.00 88.62 ? ? ? ? ? . 113 ASN A N 24 ATOM 867 C CA . ASN A 24 113 . 11.331 0.668 22.788 1.00 89.52 ? ? ? ? ? . 113 ASN A CA 24 ATOM 868 C C . ASN A 24 113 . 10.391 0.515 23.996 1.00 94.04 ? ? ? ? ? . 113 ASN A C 24 ATOM 869 O O . ASN A 24 113 . 10.624 1.227 24.967 1.00 95.05 ? ? ? ? ? . 113 ASN A O 24 ATOM 870 C CB . ASN A 24 113 . 11.462 2.142 22.290 1.00 92.53 ? ? ? ? ? . 113 ASN A CB 24 ATOM 871 C CG . ASN A 24 113 . 10.150 2.927 22.131 1.00 100.00 ? ? ? ? ? . 113 ASN A CG 24 ATOM 872 O OD1 . ASN A 24 113 . 10.177 4.148 21.806 1.00 90.57 ? ? ? ? ? . 113 ASN A OD1 24 ATOM 873 N ND2 . ASN A 24 113 . 9.006 2.262 22.330 1.00 100.00 ? ? ? ? ? . 113 ASN A ND2 24 ATOM 874 N N . PRO A 24 114 . 9.157 -0.101 23.884 1.00 89.24 ? ? ? ? ? . 114 PRO A N 24 ATOM 875 C CA . PRO A 24 114 . 8.700 -1.269 23.104 1.00 88.66 ? ? ? ? ? . 114 PRO A CA 24 ATOM 876 C C . PRO A 24 114 . 8.658 -1.114 21.608 1.00 89.35 ? ? ? ? ? . 114 PRO A C 24 ATOM 877 O O . PRO A 24 114 . 9.062 -0.111 21.054 1.00 91.58 ? ? ? ? ? . 114 PRO A O 24 ATOM 878 C CB . PRO A 24 114 . 7.279 -1.578 23.596 1.00 91.10 ? ? ? ? ? . 114 PRO A CB 24 ATOM 879 C CG . PRO A 24 114 . 6.890 -0.489 24.605 1.00 95.26 ? ? ? ? ? . 114 PRO A CG 24 ATOM 880 C CD . PRO A 24 114 . 8.116 0.385 24.830 1.00 89.22 ? ? ? ? ? . 114 PRO A CD 24 ATOM 881 N N . TYR A 24 115 . 8.172 -2.143 20.955 1.00 83.10 ? ? ? ? ? . 115 TYR A N 24 ATOM 882 C CA . TYR A 24 115 . 8.289 -2.248 19.523 1.00 81.18 ? ? ? ? ? . 115 TYR A CA 24 ATOM 883 C C . TYR A 24 115 . 7.276 -1.489 18.715 1.00 70.42 ? ? ? ? ? . 115 TYR A C 24 ATOM 884 O O . TYR A 24 115 . 6.078 -1.562 18.951 1.00 66.88 ? ? ? ? ? . 115 TYR A O 24 ATOM 885 C CB . TYR A 24 115 . 8.481 -3.682 19.065 1.00 86.33 ? ? ? ? ? . 115 TYR A CB 24 ATOM 886 C CG . TYR A 24 115 . 9.600 -4.352 19.832 1.00 93.81 ? ? ? ? ? . 115 TYR A CG 24 ATOM 887 C CD1 . TYR A 24 115 . 9.387 -4.831 21.129 1.00 96.97 ? ? ? ? ? . 115 TYR A CD1 24 ATOM 888 C CD2 . TYR A 24 115 . 10.903 -4.374 19.325 1.00 95.55 ? ? ? ? ? . 115 TYR A CD2 24 ATOM 889 C CE1 . TYR A 24 115 . 10.416 -5.432 21.855 1.00 98.79 ? ? ? ? ? . 115 TYR A CE1 24 ATOM 890 C CE2 . TYR A 24 115 . 11.953 -4.940 20.049 1.00 97.02 ? ? ? ? ? . 115 TYR A CE2 24 ATOM 891 C CZ . TYR A 24 115 . 11.702 -5.492 21.308 1.00 100.00 ? ? ? ? ? . 115 TYR A CZ 24 ATOM 892 O OH . TYR A 24 115 . 12.729 -6.088 22.011 1.00 100.00 ? ? ? ? ? . 115 TYR A OH 24 ATOM 893 N N . VAL A 24 116 . 7.810 -0.768 17.723 1.00 60.79 ? ? ? ? ? . 116 VAL A N 24 ATOM 894 C CA . VAL A 24 116 . 7.056 0.101 16.840 1.00 57.44 ? ? ? ? ? . 116 VAL A CA 24 ATOM 895 C C . VAL A 24 116 . 7.627 0.099 15.427 1.00 48.14 ? ? ? ? ? . 116 VAL A C 24 ATOM 896 O O . VAL A 24 116 . 8.822 0.346 15.209 1.00 45.15 ? ? ? ? ? . 116 VAL A O 24 ATOM 897 C CB . VAL A 24 116 . 7.014 1.511 17.394 1.00 64.94 ? ? ? ? ? . 116 VAL A CB 24 ATOM 898 C CG1 . VAL A 24 116 . 7.495 1.493 18.841 1.00 66.59 ? ? ? ? ? . 116 VAL A CG1 24 ATOM 899 C CG2 . VAL A 24 116 . 7.909 2.433 16.581 1.00 64.86 ? ? ? ? ? . 116 VAL A CG2 24 ATOM 900 N N . PRO A 24 117 . 6.775 -0.234 14.470 1.00 41.20 ? ? ? ? ? . 117 PRO A N 24 ATOM 901 C CA . PRO A 24 117 . 7.173 -0.284 13.083 1.00 39.77 ? ? ? ? ? . 117 PRO A CA 24 ATOM 902 C C . PRO A 24 117 . 7.303 1.109 12.532 1.00 45.21 ? ? ? ? ? . 117 PRO A C 24 ATOM 903 O O . PRO A 24 117 . 6.474 1.954 12.751 1.00 44.84 ? ? ? ? ? . 117 PRO A O 24 ATOM 904 C CB . PRO A 24 117 . 6.072 -1.044 12.326 1.00 37.40 ? ? ? ? ? . 117 PRO A CB 24 ATOM 905 C CG . PRO A 24 117 . 4.916 -1.183 13.282 1.00 42.83 ? ? ? ? ? . 117 PRO A CG 24 ATOM 906 C CD . PRO A 24 117 . 5.366 -0.610 14.633 1.00 40.46 ? ? ? ? ? . 117 PRO A CD 24 ATOM 907 N N . VAL A 24 118 . 8.365 1.343 11.857 1.00 47.76 ? ? ? ? ? . 118 VAL A N 24 ATOM 908 C CA . VAL A 24 118 . 8.684 2.675 11.427 1.00 50.16 ? ? ? ? ? . 118 VAL A CA 24 ATOM 909 C C . VAL A 24 118 . 8.772 2.815 9.898 1.00 54.46 ? ? ? ? ? . 118 VAL A C 24 ATOM 910 O O . VAL A 24 118 . 8.465 3.878 9.347 1.00 56.64 ? ? ? ? ? . 118 VAL A O 24 ATOM 911 C CB . VAL A 24 118 . 9.969 3.166 12.146 1.00 53.22 ? ? ? ? ? . 118 VAL A CB 24 ATOM 912 C CG1 . VAL A 24 118 . 9.915 2.763 13.627 1.00 52.66 ? ? ? ? ? . 118 VAL A CG1 24 ATOM 913 C CG2 . VAL A 24 118 . 11.215 2.558 11.500 1.00 52.03 ? ? ? ? ? . 118 VAL A CG2 24 ATOM 914 N N . HIS A 24 119 . 9.161 1.696 9.233 1.00 47.39 ? ? ? ? ? . 119 HIS A N 24 ATOM 915 C CA . HIS A 24 119 . 9.401 1.631 7.805 1.00 46.62 ? ? ? ? ? . 119 HIS A CA 24 ATOM 916 C C . HIS A 24 119 . 8.792 0.403 7.192 1.00 45.26 ? ? ? ? ? . 119 HIS A C 24 ATOM 917 O O . HIS A 24 119 . 9.173 -0.704 7.489 1.00 44.81 ? ? ? ? ? . 119 HIS A O 24 ATOM 918 C CB . HIS A 24 119 . 10.911 1.671 7.462 1.00 50.78 ? ? ? ? ? . 119 HIS A CB 24 ATOM 919 C CG . HIS A 24 119 . 11.209 1.031 6.144 1.00 58.80 ? ? ? ? ? . 119 HIS A CG 24 ATOM 920 N ND1 . HIS A 24 119 . 10.653 1.516 4.970 1.00 64.71 ? ? ? ? ? . 119 HIS A ND1 24 ATOM 921 C CD2 . HIS A 24 119 . 11.883 -0.112 5.845 1.00 62.23 ? ? ? ? ? . 119 HIS A CD2 24 ATOM 922 C CE1 . HIS A 24 119 . 11.042 0.704 3.989 1.00 64.03 ? ? ? ? ? . 119 HIS A CE1 24 ATOM 923 N NE2 . HIS A 24 119 . 11.806 -0.263 4.478 1.00 63.41 ? ? ? ? ? . 119 HIS A NE2 24 ATOM 924 N N . PHE A 24 120 . 7.939 0.622 6.263 1.00 39.97 ? ? ? ? ? . 120 PHE A N 24 ATOM 925 C CA . PHE A 24 120 . 7.322 -0.435 5.554 1.00 41.30 ? ? ? ? ? . 120 PHE A CA 24 ATOM 926 C C . PHE A 24 120 . 8.128 -0.796 4.324 1.00 58.30 ? ? ? ? ? . 120 PHE A C 24 ATOM 927 O O . PHE A 24 120 . 8.112 -0.072 3.335 1.00 58.95 ? ? ? ? ? . 120 PHE A O 24 ATOM 928 C CB . PHE A 24 120 . 5.876 -0.066 5.195 1.00 42.98 ? ? ? ? ? . 120 PHE A CB 24 ATOM 929 C CG . PHE A 24 120 . 5.230 -1.028 4.246 1.00 46.99 ? ? ? ? ? . 120 PHE A CG 24 ATOM 930 C CD1 . PHE A 24 120 . 5.253 -0.786 2.874 1.00 52.92 ? ? ? ? ? . 120 PHE A CD1 24 ATOM 931 C CD2 . PHE A 24 120 . 4.544 -2.151 4.711 1.00 53.08 ? ? ? ? ? . 120 PHE A CD2 24 ATOM 932 C CE1 . PHE A 24 120 . 4.627 -1.651 1.972 1.00 55.87 ? ? ? ? ? . 120 PHE A CE1 24 ATOM 933 C CE2 . PHE A 24 120 . 3.910 -3.028 3.826 1.00 56.79 ? ? ? ? ? . 120 PHE A CE2 24 ATOM 934 C CZ . PHE A 24 120 . 3.959 -2.775 2.454 1.00 55.28 ? ? ? ? ? . 120 PHE A CZ 24 ATOM 935 N N . ASP A 24 121 . 8.940 -1.871 4.439 1.00 66.10 ? ? ? ? ? . 121 ASP A N 24 ATOM 936 C CA . ASP A 24 121 . 9.764 -2.358 3.312 1.00 69.92 ? ? ? ? ? . 121 ASP A CA 24 ATOM 937 C C . ASP A 24 121 . 8.905 -2.873 2.187 1.00 73.07 ? ? ? ? ? . 121 ASP A C 24 ATOM 938 O O . ASP A 24 121 . 7.933 -2.238 1.798 1.00 79.62 ? ? ? ? ? . 121 ASP A O 24 ATOM 939 C CB . ASP A 24 121 . 10.830 -3.397 3.718 1.00 73.58 ? ? ? ? ? . 121 ASP A CB 24 ATOM 940 C CG . ASP A 24 121 . 12.023 -3.386 2.782 1.00 88.98 ? ? ? ? ? . 121 ASP A CG 24 ATOM 941 O OD1 . ASP A 24 121 . 12.069 -4.027 1.753 1.00 93.27 ? ? ? ? ? . 121 ASP A OD1 24 ATOM 942 O OD2 . ASP A 24 121 . 12.978 -2.558 3.177 1.00 83.88 ? ? ? ? ? . 121 ASP A OD2 24 ATOM 943 N N . ALA A 24 122 . 9.220 -4.037 1.686 1.00 59.91 ? ? ? ? ? . 122 ALA A N 24 ATOM 944 C CA . ALA A 24 122 . 8.396 -4.570 0.652 1.00 58.12 ? ? ? ? ? . 122 ALA A CA 24 ATOM 945 C C . ALA A 24 122 . 7.087 -5.094 1.211 1.00 63.98 ? ? ? ? ? . 122 ALA A C 24 ATOM 946 O O . ALA A 24 122 . 6.970 -5.376 2.396 1.00 60.15 ? ? ? ? ? . 122 ALA A O 24 ATOM 947 C CB . ALA A 24 122 . 9.121 -5.637 -0.131 1.00 59.10 ? ? ? ? ? . 122 ALA A CB 24 ATOM 948 N N . SER A 24 123 . 6.084 -5.151 0.362 1.00 69.13 ? ? ? ? ? . 123 SER A N 24 ATOM 949 C CA . SER A 24 123 . 4.837 -5.807 0.692 1.00 73.96 ? ? ? ? ? . 123 SER A CA 24 ATOM 950 C C . SER A 24 123 . 4.809 -7.183 0.031 1.00 89.25 ? ? ? ? ? . 123 SER A C 24 ATOM 951 O O . SER A 24 123 . 4.130 -7.399 -0.980 1.00 94.09 ? ? ? ? ? . 123 SER A O 24 ATOM 952 C CB . SER A 24 123 . 3.631 -4.975 0.297 1.00 78.44 ? ? ? ? ? . 123 SER A CB 24 ATOM 953 O OG . SER A 24 123 . 3.169 -5.334 -0.999 1.00 83.44 ? ? ? ? ? . 123 SER A OG 24 ATOM 954 N N . VAL A 24 124 . 5.650 -8.087 0.554 1.00 85.11 ? ? ? ? ? . 124 VAL A N 24 ATOM 955 C CA . VAL A 24 124 . 5.928 -9.341 -0.099 1.00 85.59 ? ? ? ? ? . 124 VAL A CA 24 ATOM 956 C C . VAL A 24 124 . 6.969 -9.094 -1.187 1.00 100.00 ? ? ? ? ? . 124 VAL A C 24 ATOM 957 O O . VAL A 24 124 . 6.794 -9.620 -2.311 1.00 100.00 ? ? ? ? ? . 124 VAL A O 24 ATOM 958 C CB . VAL A 24 124 . 4.658 -10.020 -0.664 1.00 89.67 ? ? ? ? ? . 124 VAL A CB 24 ATOM 959 C CG1 . VAL A 24 124 . 5.001 -11.360 -1.304 1.00 90.52 ? ? ? ? ? . 124 VAL A CG1 24 ATOM 960 C CG2 . VAL A 24 124 . 3.644 -10.244 0.438 1.00 88.37 ? ? ? ? ? . 124 VAL A CG2 24 ATOM 961 O OXT . VAL A 24 124 . 7.914 -8.302 -0.916 1.00 100.00 ? ? ? ? ? . 124 VAL A OXT 24 #