X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Flocal%2Fpdb2int%2Ftheta_dfa.dat;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Flocal%2Fpdb2int%2Ftheta_dfa.dat;h=0000000000000000000000000000000000000000;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=e9f48d06d4287974a62277e50c905ca7975ad33c;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat b/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat deleted file mode 100644 index e9f48d0..0000000 --- a/examples/unres/CSA/GAB/CSA/local/pdb2int/theta_dfa.dat +++ /dev/null @@ -1,496 +0,0 @@ -Theta Angle restraint - 12 - 0.00000000 - 3 4 5 6 7 20 - -0.550021061 -0.714795735 - -0.995048367 -0.735605152 - -0.937267747 -0.999102156 - -0.951552896 0.344963390 - -0.938454156 -0.932357536 - -0.718593078 -0.964993181 - -0.667812281 -0.396122596 - -0.430584775 0.586209808 - -0.845839614 -0.965000129 - 0.586239795 0.667659428 - 0.873827389 0.566866205 - -0.994090059 -0.993636773 - 0.416003549 0.563281920 - 0.509579322 0.711247608 - -0.951143800 0.494332713 - 0.666062282 -0.995074706 - -0.969916933 -0.904378335 - -0.593165660 -0.899864348 - -0.561292781 0.653601801 - -0.998180604 -0.996422628 - 0.296480 - 0.283450 - 0.276920 - 0.271990 - 0.256740 - 0.251770 - 0.249900 - 0.246650 - 0.244950 - 0.244130 - 0.235620 - 0.234330 - 0.232360 - 0.225890 - 0.225600 - 0.224860 - 0.219430 - 0.217100 - 0.212040 - 0.211300 - 4 5 6 7 8 20 - 0.998438256 -0.981035655 - -0.518766311 -0.875139464 - -0.639362814 -0.953585673 - 0.467122341 0.536323697 - -0.720254546 -0.866191165 - 0.546186231 0.691506024 - -0.813056115 -0.017366218 - -0.982923924 -0.874479420 - 0.486313787 0.065843418 - 0.527635156 0.700444697 - 0.923751083 0.716655431 - 0.644240153 0.940530506 - -0.359525342 -0.369080275 - -0.950330427 -0.593660032 - 0.414224688 0.015866721 - 0.584866069 0.556950479 - -0.896836832 -0.955489234 - -0.652777177 -0.380520011 - 0.641108488 0.779645597 - 0.644735945 0.670843504 - 0.291650 - 0.267120 - 0.260440 - 0.253700 - 0.251280 - 0.251110 - 0.249470 - 0.247790 - 0.247600 - 0.240120 - 0.238140 - 0.238050 - 0.236970 - 0.236630 - 0.235560 - 0.230570 - 0.229410 - 0.225380 - 0.224710 - 0.222460 - 5 6 7 8 9 20 - 0.609318089 0.710636895 - -0.999928649 0.628555880 - 0.648508012 -0.586200045 - -0.818184866 0.434618919 - -0.998955579 0.487407799 - -0.951143800 0.494332713 - -0.869941926 -0.942468393 - -0.999726648 -0.829594693 - 0.370306434 0.118655074 - -0.895516663 -0.949253268 - 0.346279555 -0.995598605 - -0.903308179 0.591902149 - -0.982296700 -0.937926751 - -0.973179231 0.444732277 - 0.639515055 0.678972465 - 0.718574380 0.581295616 - -0.999567098 -0.901916755 - -0.127442370 -0.926880228 - -0.702147641 -0.985481388 - 0.347094528 0.564768601 - 0.290130 - 0.289830 - 0.271670 - 0.268230 - 0.261000 - 0.253220 - 0.252690 - 0.252530 - 0.249570 - 0.246640 - 0.240850 - 0.240200 - 0.235740 - 0.234440 - 0.233680 - 0.226580 - 0.224690 - 0.223890 - 0.222150 - 0.220840 - 6 7 8 9 10 20 - -0.986098754 -0.136523081 - -0.633607774 0.088454593 - -0.469866706 -0.914752285 - -0.734599087 -0.756740449 - 0.649439010 0.659924745 - 0.612360320 0.693678685 - 0.553878186 0.748030408 - -0.993668295 -0.777312638 - 0.598761367 0.651731747 - -0.451791653 -0.226324542 - -0.581444452 -0.268097246 - -0.523301526 0.065059494 - 0.553344223 0.702487538 - 0.255604637 0.249152634 - -0.997696310 -0.991859429 - 0.542046409 0.661879345 - 0.256328095 0.685623971 - 0.776965134 0.671279387 - 0.461889276 0.219640644 - -0.380662665 -0.066227299 - 0.268650 - 0.258820 - 0.254940 - 0.243960 - 0.241290 - 0.238480 - 0.234220 - 0.233860 - 0.230420 - 0.230320 - 0.222530 - 0.219230 - 0.218410 - 0.218210 - 0.208170 - 0.206750 - 0.204090 - 0.203180 - 0.201610 - 0.201470 - 7 8 9 10 11 20 - -0.922677042 -0.996625021 - 0.800137260 -0.875346001 - 0.649852376 0.470008351 - -0.679536853 -0.921263004 - 0.669482845 0.643474512 - 0.705851410 0.556648051 - 0.596792528 0.706856110 - -0.824448713 -0.997967508 - 0.644891842 0.597330172 - -0.937113017 -0.999710223 - -0.649568467 -0.898176324 - -0.971253498 0.320447136 - -0.939150771 0.734963898 - 0.666410841 0.599537720 - -0.357806280 -0.977059211 - 0.642255750 0.616490718 - -0.694981734 -0.994419594 - 0.623911440 0.649974017 - 0.616437803 0.584559952 - 0.999951216 -0.752710366 - 0.294510 - 0.292270 - 0.292010 - 0.286530 - 0.276960 - 0.274840 - 0.274710 - 0.266750 - 0.251990 - 0.250470 - 0.248980 - 0.248820 - 0.245460 - 0.245430 - 0.242970 - 0.240850 - 0.240730 - 0.239740 - 0.236180 - 0.235010 - 8 9 10 11 12 20 - -0.858076909 -0.897065735 - 0.616288212 0.675914328 - 0.579018166 -0.260672517 - -0.167341885 -0.818440225 - -0.943707356 -0.414100018 - 0.652106000 0.626355477 - -0.479721082 -0.396399276 - -0.996456331 -0.908795557 - 0.653154106 0.568212529 - 0.905299106 -0.995044635 - -0.965769673 -0.917405443 - 0.703574702 -0.467770873 - 0.607095027 0.841862021 - 0.670147881 -0.958760182 - 0.655957583 -0.595853461 - -0.997533750 -0.124425846 - 0.615278109 0.680024737 - 0.628058624 0.672325974 - 0.598761367 0.651731747 - -0.207241825 -0.990338475 - 0.277310 - 0.263980 - 0.261430 - 0.259760 - 0.259170 - 0.258980 - 0.241190 - 0.235570 - 0.219750 - 0.219660 - 0.216120 - 0.214820 - 0.212890 - 0.207800 - 0.207260 - 0.206620 - 0.203290 - 0.202690 - 0.201410 - 0.200430 - 9 10 11 12 13 20 - -0.892084157 -0.889679693 - -0.619528732 -0.896793115 - -0.986098754 -0.136523081 - 0.995678041 -0.245228291 - -0.997267867 -0.924730174 - -0.975195356 -0.736530459 - -0.843546460 -0.938366629 - -0.986553461 0.897273907 - -0.834735593 -0.777389640 - 0.624763010 0.620487739 - -0.911858693 -0.971828425 - 0.954221832 0.502325874 - -0.832335846 -0.446029201 - -0.796798964 -0.743200380 - -0.974666961 -0.870858838 - -0.796813432 -0.999136788 - -0.543942253 -0.939013480 - -0.884403020 -0.616899140 - -0.460408267 -0.470836617 - -0.670500485 -0.764632950 - 0.323340 - 0.292750 - 0.287250 - 0.283240 - 0.279880 - 0.278590 - 0.275920 - 0.275430 - 0.272900 - 0.272730 - 0.271850 - 0.268660 - 0.263850 - 0.261150 - 0.260510 - 0.256930 - 0.252330 - 0.248060 - 0.247770 - 0.247700 - 10 11 12 13 14 20 - -0.996525543 -0.893344832 - -0.619528732 -0.896793115 - 0.598101767 -0.988876395 - -0.600764307 -0.952025749 - -0.543942253 -0.939013480 - 0.688180509 -0.995232369 - -0.796798964 -0.743200380 - -0.951883858 -0.968241705 - 0.866684295 -0.998542451 - -0.461407619 -0.974170073 - 0.995678041 -0.245228291 - -0.939915308 -0.999288422 - -0.887953648 -0.847647849 - 0.288319233 -0.985937827 - 0.670147881 -0.958760182 - -0.977960108 -0.925684041 - -0.895516663 -0.949253268 - -0.925346144 -0.973123761 - -0.862415491 -0.995657307 - -0.991573941 -0.977277746 - 0.327850 - 0.308780 - 0.298770 - 0.298720 - 0.283420 - 0.277040 - 0.274120 - 0.272040 - 0.271140 - 0.267230 - 0.266640 - 0.262380 - 0.258830 - 0.257590 - 0.257430 - 0.255690 - 0.253310 - 0.246340 - 0.246170 - 0.243980 - 11 12 13 14 15 20 - -0.996456331 -0.908795557 - -0.796798964 -0.743200380 - -0.378320966 -0.714950138 - -0.469866706 -0.914752285 - -0.911858693 -0.971828425 - 0.873827389 0.566866205 - -0.989143962 -0.893015898 - -0.991573941 -0.977277746 - -0.848556808 -0.967182221 - -0.858076909 -0.897065735 - -0.967310961 -0.375503007 - 0.772746277 -0.945985549 - 0.991817396 -0.993154261 - -0.786447799 -0.997329716 - -0.734599087 -0.756740449 - -0.950531802 -0.987541914 - -0.994356951 -0.737752503 - -0.938021245 -0.997393595 - -0.924660934 -0.977216941 - -0.578312476 0.495290220 - 0.344880 - 0.281310 - 0.274210 - 0.251260 - 0.248700 - 0.247260 - 0.244000 - 0.240930 - 0.240400 - 0.236810 - 0.235120 - 0.234170 - 0.227890 - 0.227710 - 0.227680 - 0.227210 - 0.225980 - 0.223520 - 0.219450 - 0.216310 - 12 13 14 15 16 20 - -0.796798964 -0.743200380 - -0.924321434 -0.952204584 - -0.600764307 -0.952025749 - -0.907405803 -0.964806993 - -0.963301427 -0.973874205 - -0.543942253 -0.939013480 - -0.985246325 -0.866673724 - -0.843546460 -0.938366629 - -0.491460684 -0.945240546 - -0.980392173 -0.856446112 - 0.688180509 -0.995232369 - -0.821759974 -0.907209759 - 0.670147881 -0.958760182 - -0.955184178 -0.950197775 - -0.852128896 -0.959448894 - -0.951855708 0.987477861 - -0.955440477 -0.975878365 - -0.716088247 -0.997749921 - -0.964278025 -0.960108727 - -0.951883858 -0.968241705 - 0.343910 - 0.332400 - 0.320170 - 0.313550 - 0.300960 - 0.298070 - 0.287610 - 0.279280 - 0.276500 - 0.273410 - 0.272460 - 0.271410 - 0.270050 - 0.265150 - 0.263880 - 0.263310 - 0.262420 - 0.262080 - 0.259840 - 0.259000 - 13 14 15 16 17 20 - -0.796798964 -0.743200380 - -0.953695615 -0.924316143 - -0.999984813 -0.647429892 - -0.918593312 -0.956804255 - -0.996456331 -0.908795557 - -0.955440477 -0.975878365 - -0.834148055 -0.918701271 - -0.991573941 -0.977277746 - -0.461407619 -0.974170073 - -0.730626578 -0.977544000 - -0.936785899 -0.768906388 - -0.776420210 0.896493643 - -0.999989296 -0.952749746 - -0.967462283 -0.923413999 - -0.892065224 -0.997948544 - -0.941878438 -0.884194197 - -0.982296700 -0.937926751 - -0.999567098 -0.901916755 - -0.837649972 -0.838989610 - -0.780134975 -0.999999044 - 0.289700 - 0.274890 - 0.267840 - 0.265390 - 0.264570 - 0.264350 - 0.260780 - 0.260470 - 0.257460 - 0.256030 - 0.252760 - 0.251600 - 0.251370 - 0.250550 - 0.244500 - 0.243440 - 0.240300 - 0.236160 - 0.234940 - 0.234400 - 14 15 16 17 18 20 - -0.907405803 -0.964806993 - -0.967803612 -0.970212231 - -0.945182630 -0.972626680 - -0.028939171 -0.560045218 - -0.946726795 -0.886955943 - -0.987802180 -0.869987481 - -0.986298016 -0.989284143 - -0.918196011 -0.912839393 - -0.936785899 -0.768906388 - -0.960601024 -0.989142978 - -0.953941490 -0.937024950 - 0.849169550 0.306969866 - -0.605522738 -0.940666481 - -0.964198552 0.939033336 - -0.995048367 -0.735605152 - -0.776420210 0.896493643 - -0.904777569 -0.859612166 - -0.821711197 -0.957820078 - -0.980815460 -0.991350033 - -0.803883420 -0.935487478 - 0.310680 - 0.306270 - 0.299870 - 0.297210 - 0.290900 - 0.286080 - 0.275430 - 0.273890 - 0.268800 - 0.264140 - 0.261310 - 0.255620 - 0.253870 - 0.252940 - 0.249920 - 0.249110 - 0.248440 - 0.244830 - 0.243880 - 0.239950 -END