X242	X276	X153	X245	X436	X106	X458	X95	X496	X466	X336	X279	X315	X479	X120	X410	X383	X38	X133	X52	X85	X218	X141	X158	X142	X363	X306	X301	X230	X79	X320	X382	X483	X420	X108	X129	X97	X135	X331	X391	X227	X368	X451	X8	X15	X358	X169	X478	X406	X344	X144	X70	X284	X263	X418	X403	X334	X84	X236	X86	X165	X340	X213	X375	X280	X454	X239	X74	X421	X27	X151	X488	X494	X214	X176	X350	X250	X41	X373	X419	X201	X369	X193	X68	X378	X37	X138	X298	X98	X51	X433	X460	X464	X415	X136	X198	X357	X194	X500	X491	X4	X258	X312	X147	X495	X100	X67	X50	X167	X172	X431	X259	X234	X35	X59	X432	X309	X385	X208	X29	X36	X184	X325	X442	X34	X64	X252	X76	X104	X430	X264	X238	X243	X347	X33	X185	X453	X209	X26	X255	X12	X90	X43	X115	X24	X195	X78	X376	X164	X389	X196	X441	X285	X435	X261	X377	X362	X348	X16	X189	X330	X296	X66	X372	X361	X271	X206	X393	X150	X380	X290	X148	X163	X131	X89	X124	X394	X485	X262	X6	X173	X448	X367	X171	X277	X459	X281	X461	X60	X102	X232	X244	X175	X445	X186	X351	X412	X48	X293	X207	X294	X307	X31	X65	X323	X365	X237	X126	X425	X57	X216	X371	X318	X449	X283	X265	X288	X125	X396	X116	X182	X476	X241	X32	X462	X498	X275	X224	X87	X486	X93	X402	X390	X379	X440	X170	X132	X405	X110	X337	X40	X204	X143	X374	X71	X489	X127	X297	X152	X411	X401	X404	X211	X473	X257	X457	X210	X447	X269	X178	X329	X107	X400	X81	X481	X49	X392	X356	X197	X112	X20	X188	X161	X146	X145	X10	X355	X222	X7	X260	X416	X349	X157	X44	X72	X417	X319	X482	X472	X484	X353	X220	X192	X80	X300	X398	X308	X159	X69	X212
sp1	0.0394444029354504	0.865947352580651	0.079840052794214	0.874749972719978	1.05128553854084e-06	0.915984123952989	0.516938580943933	0.815043006889178	0.249927021468283	0.634046670419013	0.677024541475427	0.377538110330899	0.353826435540136	0.391684110007984	0.471633581679182	0.839113658651027	0.258867680127386	0.68318246595489	0.513868795391553	0.295146821008638	0.711954937383067	0.715557653818182	0.482442024414635	3.15702154624936e-05	0.831336168178123	0.155479668693973	0.0255643493350866	0.917526154894727	0.677319252044975	0.451643545078202	0.626501955855945	0.0046102385746228	0.425470374694556	0.510065226595967	0.0634051317560664	0.789706095582307	0.0665649984182186	0.268129285486648	0.10986103544931	0.257431874856159	0.000181803173738659	0.353243523309633	2.92611071332383e-05	0.526373313769509	0.000650720587930777	0.60752253562775	0.00718993355842585	0.896719794721285	0.894559405518575	0.00393721878977262	0.502368090768963	0.709192775547454	0.84794041050019	0.156217403245979	0.816756864113222	0.104069129109671	1.37092608830004e-05	0.0801495758405976	0.291498116303485	0.916914804200265	0.518068658439121	0.938035137356484	0.398612264358059	0.75910500913579	0.784953801928554	0.641551718691256	0.6194740828914	0.412218946555934	0.22610611263657	0.91566373742737	0.620446392731644	0.15002339953371	0.793549185878561	0.692259062245051	0.731243271330015	0.561919146532792	0.762907226659014	0.706631630463443	0.89357508563598	0.517936640134226	0.12077357345562	0.881440866296706	0.30096478211562	0.159067831292365	0.804666867807791	0.350071554175045	0.695815909657617	0.0157281838117731	0.710766890946236	0.132017367028866	0.426260224457488	0.730197154898958	0.287347023312858	0.563823870661439	0.79565802568434	0.923049355474705	0.19538173324878	0.564543615508218	0.903764413571816	0.502251077229667	8.43244708651389e-05	0.0143251012772202	0.475402528117793	0.154113857055032	0.887575699011895	0.766007072948154	0.273756004146328	0.14180578450605	0.864466558509244	0.462581783794545	0.0801509138985494	0.0696351009877555	0.262221973631841	0.771391775569398	0.464935912506018	0.163500353490802	0.5355580966801	0.538885879055214	0.0885765899194688	0.67018749205313	0.26578839504703	0.513159044107616	0.890079391560815	0.232797346631872	0.791889439782129	0.271540743848445	0.690136682108945	0.645705297171331	0.12931947866886	0.00244204167821525	0.627869434313326	0.32760248259477	0.712078830514469	0.663589445936642	0.1532007998973	0.355930183387464	0.467320854930828	0.126832303383331	0.37759786412793	0.211870599942674	0.723512761479721	0.758321734343482	0.924731832326063	0.744567958605425	0.869313847790073	0.131928296160825	0.119124437906527	0.243479080624862	0.0329650912015844	0.404233798494823	0.719607447502023	0.0894636064336877	0.0343143377155853	0.104151516411024	0.573880060821517	0.0124154023285956	0.00584757889593196	0.898776992566273	3.30748137140726e-05	0.935872584814646	0.740350970327787	0.65336464034366	0.471476031327041	0.257909606633164	0.592607064642097	0.712983603066948	1.14690999520258e-05	0.719016458088204	0.283689083339935	0.411397882923873	0.556611610516666	0.141310583267786	0.556114166721788	0.54413544163853	0.557902796645217	0.646580743261435	0.800948508248904	0.0649994894690343	0.209084036788435	0.677445835748311	0.382127180964549	0.870624648428962	0.26057328049859	0.615577646504448	0.205461444228776	0.0322293087134208	0.860543976459212	0.75511940001351	0.949177892257338	0.535736137742914	0.506541395658315	0.614699643528445	0.597348617370758	0.522146967387247	0.0938389118265762	0.211833861641309	0.706401414526912	0.00564128047612122	2.90424540212549e-05	0.442512352079936	0.904379434989028	0.690334305913265	0.280996970032244	0.000315054430078134	0.505545241697431	0.423209173137612	0.788514818430153	0.735826576226264	0.376142197673982	0.06421663621014	0.322410929810323	0.689266625259969	0.0745535135379129	0.648518418699606	0.345559329074954	0.0483867909176201	0.764659682554457	0.634725432999874	0.0712438269720633	0.392663935255674	0.824011601713162	0.536871585915766	0.181141805800786	0.130329266797308	0.927402283760345	0.0256066998655123	0.781704697430314	0.477537921793657	0.044189981540373	0.621217088623275	0.35042741339557	0.803783369231795	4.03839144426638e-07	0.576706220318817	0.819079184168339	0.270847480979747	0.422688228931194	0.000391583186935489	0.214782095946613	0.785640664858896	0.570685100564117	0.489980980274537	0.15355817030318	0.839307241013852	3.98964500590792e-05	0.00390169413359778	0.606241366171754	0.76796927775726	0.445060904039761	0.8492713887718	0.168499177687973	0.361654614082967	0.503817672946703	0.176264592163777	0.586364461915898	0.529440534956884	0.926078273224939	0.909428147222077	0.761015967000816	0.649404332984404	0.221037975572963	0.347572127923602	0.758047080440048	0.766765411457901	0.0358442298768831	0.645845183141679	0.411208785958056	0.181690848312058	0.789053234412086	0.244581809438171	0.204128532930459	0.406528169377167	0.918548529230327	0.429927709343893	0.69644241679995	0.505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sp2	0.807823720187375	0.116288294161204	0.0684392007764422	0.549475458394298	0.682273379845398	0.511656747060052	0.377556979687653	0.762317303241398	0.79187032633827	0.559238988830756	0.183290699035703	0.197855995026429	0.0348495116841531	0.771265640028111	0.00300444036975388	0.751767704517168	0.688254002400167	0.779821967144649	0.147485415948904	0.208407461848735	0.924470406728034	0.5333066340755	0.307231330657631	0.803422551679609	0.543266891007909	0.870778931137568	0.726129260711255	0.65522608264948	0.0668297216824119	0.612708469961098	0.611050279913721	0.441893670763184	0.879516490797959	0.882256796297277	0.852793048183085	0.232718256637532	0.824975001014777	0.329335461282725	0.8068948902074	0.102177754509523	0.355062209367564	0.130083846028441	0.764497961979609	0.0578201841531368	0.644813395721971	0.507834060821245	0.00693148274678093	0.340951958558621	0.254525971767402	0.0178006868331922	0.820141689758601	1.16334883998181e-06	0.416824295859789	0.948225295528503	1.28902683864119e-05	0.482021688689034	0.596735279909363	0.335580079981668	0.338706201264085	0.58545957229984	0.598718791982082	0.0313491973695219	0.227986089431021	0.73230895698605	0.393498428537838	0.192895818922048	0.511950428219037	0.26985801024607	0.765097331477467	0.264463036271801	0.088499724536479	0.275519907823662	0.61798107062564	0.550312768411781	0.770925157916955	0.654780290678318	0.693770813808059	0.821047250440443	0.318785117117	0.0501891154651661	0.241030331831919	0.000598330298033623	0.265012478666557	0.0759395599300647	0.0029300034265306	0.456115021517799	0.408723783770275	0.907507746068647	0.662747561912738	0.000232684570374755	0.223666453294207	0.129642530908666	0.371626328462034	0.485306505021824	0.197157273973547	0.783504317305553	0.648037357090632	0.554623214811551	0.726995792060152	0.0648625787371541	0.8035796581056	7.82517141575369e-05	0.492181326078966	0.250253398276535	0.289062596471281	0.0404592562283462	0.879582406744389	0.142526816352408	0.883889252705632	0.889440389004601	0.0319833642686827	0.7912928083536	0.399236875621999	0.217476283907541	0.237017492775282	0.715603248276085	0.0640583051610204	0.656950245417619	0.270089580539302	0.0183302697110524	0.343430613929055	0.418278303830304	0.0921937923332151	0.765015232814173	0.702209537393482	0.384232717402997	0.907434164924379	0.342704517810391	0.61601122614344	0.456375089107706	0.367031509121253	0.830020871271922	0.790541397073671	0.0877268334969339	0.00716833667521781	0.6941640422244	0.168080573911642	0.585590344357894	0.768504375032913	0.305208669465377	0.706862759409557	0.204650219061066	0.108663641849785	0.395532951551011	0.848966266343282	0.0130260160031619	0.129463951745221	0.633332921753694	0.0905932426506229	0.70022283528768	0.550161589043603	0.48886553406255	0.18953988853325	0.299795399663398	0.750042457380556	0.902968295303775	0.608451884126221	0.583743165553995	0.00047432694467219	0.664028899496612	0.505858630064537	0.474483355581861	0.849112668854905	0.59397903472027	0.638353664818244	0.385441318736917	0.267801579618341	0.624587678236883	0.536212114491721	0.421700692830384	0.337113256544756	0.0216198934565158	0.000148320044280483	0.0471694199860393	0.89435863557468	0.00908753946406117	0.706130043189265	0.58467410900385	0.139054469862	0.640206169703828	0.364304133760743	0.106360939855863	0.354724299604375	9.89016870507716e-07	0.893055355081068	0.117908017995199	0.68161397512247	0.793697174643751	0.124229449316717	0.809039944440236	0.577989546765116	0.00163701198159776	0.545808256556518	0.886297155792878	0.311888665362882	0.942747184736647	0.540323025556538	0.587459142295439	0.52332623134787	0.409220221460255	0.30907031927426	0.0223150457639704	0.777400606782403	0.107324036122969	0.666160689387919	0.142306699116038	0.635632099679893	0.192173902162813	0.466897127384183	0.742246092640536	0.899572625854422	0.638559308941645	0.591920686860162	0.893424410718057	0.0570066521040672	0.554003590405206	0.370419911371864	0.500590985630575	0.890162635715809	0.368792280179555	0.773766034876794	0.64373201806369	0.2744784453528	0.60719363801512	0.888979487052023	0.142566732921297	0.211018240618203	0.833170733699341	0.613422773324011	0.154309569766222	0.0239805019670202	0.0765992226733911	0.813713398996279	0.345367484751592	0.00178309928007206	0.561831822998945	0.861583844619006	0.867762282365595	0.00455074798908209	0.110774851061103	0.902030646013572	0.645467784358217	0.768877405791458	0.10973108677327	0.529140658687432	0.66349537252331	0.278446343531689	0.482456063056495	0.495491777659242	0.612611551361264	0.761032445258312	0.897515126587442	0.120922008168257	0.337376502124286	0.767317251950191	0.70650282523202	0.162765962469655	0.828322287809573	0.0971449526674821	0.117081703438248	0.0848503543418649	0.756681146362359	0.0357069551104828	0.492437542201186	0.432693539152555	0.507269511075261	0.887364095221504	0.099912319770099	0.481580664478955	0.216634297187462	0.861928152067652	0.00058742294352161	0.443257867761784	0.455897276102695	0.378212325771092	0.750997620921272	0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sp3	0.58747618408987	0.0243042025129498	0.958868767134404	0.778150357827098	0.795342213763961	0.29555102027618	0.0721982248473047	1.25296252892805e-05	0.315813074150319	0.163299269250844	0.784176874297239	0.135917525973013	0.418561217775396	0.559785638639997	0.350180271969759	0.481090905328839	0.570788823775905	0.697021152188903	0.466541678041424	0.45712856529475	0.378245843305636	0.0198679985604315	0.292637171995726	0.92410784271041	0.00531774592040948	0.943963589290415	0.455088159080206	0.33423323363141	0.311313036078297	0.250439972725103	0.0741922866489148	0.0715183707207987	0.00155347099500633	0.123993064406913	0.00471366214410151	0.57534167574346	0.401539119567158	0.183074751578764	0.143329557284799	0.802425359230643	0.101991133847563	0.317470548120505	0.000598140722782116	0.0592828848015906	0.689911069131173	0.740447301760024	0.756505886107513	0.0016059916735015	0.493534314869774	0.728128921302058	0.00396011920571594	0.869664989104065	0.724058088029096	0.00120346154958759	0.868605856680931	0.560945066721994	0.502274324080446	0.233421916063139	0.503583892856373	0.418827365996702	0.693059172121028	0.294644282725961	0.578526998688426	0.841501738372039	0.0193297230994636	0.212178159495994	0.287699406366074	0.489753617568012	0.000228412005249707	0.349025558602012	0.668003784909182	0.0947994457421621	0.415474407878669	0.276427665643488	0.875106351054118	0.468113580304711	0.436181672669067	0.131473186957221	0.676214776198991	0.858600335495316	0.842611700598582	0.601706733050328	0.935011336292619	0.704178973442934	0.551423357249075	0.50750010413925	0.00759515471795338	0.00308880554153774	0.189047758797249	0.867181102722564	0.353491251777761	0.627661750863561	0.518670640781507	0.202262678229684	0.486860949184278	0.0794926072577675	0.419578440003614	0.878309558994323	0.753486832763381	6.9946040569793e-05	0.00452402535075205	0.272839448363138	0.0211017487812375	0.370504150470414	0.536178314923954	0.191029826979172	0.61010118650016	0.264134115577033	0.430873725404588	0.359437809288825	0.690074445964816	0.418929393881856	0.00578197844279858	0.5993389012761	0.728499636800593	0.13042320773626	0.000539454976821208	0.000752776663305503	0.919056198988728	0.586452165087236	0.00525023857967137	0.318947449657562	0.132325342616909	0.339021345272638	0.655083753244075	0.520824539885548	0.000660275991608755	0.0530273805607173	0.237473591825028	0.00868953619774769	0.0398601136655693	0.00395220175412161	0.00164319196989961	0.45609868131171	0.500794445781707	0.402803127974089	0.372858755304344	0.411689846629962	0.587831276542003	0.110040341355903	0.25015404256047	0.392324611209682	0.0365288163651962	0.207788466651394	0.282236789579579	0.873161395227887	0.764192644692952	0.000700431074803705	0.799150127574377	0.7454332482594	0.494289764766196	0.197178789479517	0.325116881282403	0.171865154588551	0.448249763908418	0.16677708347759	0.794821621847566	0.621850139723675	0.301486589525873	0.858376210994837	0.498971996543821	0.283150822341202	0.581989075320915	0.279516616833024	0.693891795785908	0.270756921917202	0.987886205048086	0.000599324868803202	0.0933910138626829	0.88677612912277	0.655520106593614	0.187350987547021	0.639580616991312	0.125316480508465	0.0284515886324147	0.441396140879342	0.403812341260341	0.520786782750014	0.0361416833941244	0.607417078465829	0.00803211941763498	0.029248545915462	0.557451596974535	0.603696957210692	0.506509936953246	0.65743811201964	0.798701667134997	0.390475232689751	0.193410806592682	0.615435830970425	0.725448304986234	0.747226376501879	0.664662298198774	0.604313343442228	0.954662262042427	0.366927808426394	0.463982436057781	0.191863307231148	0.539003036193694	0.629007982652775	0.0559872719223909	0.848644889295107	0.446826037753144	0.324274018075877	0.417283966265998	0.133199656648815	0.525955456159975	0.00163039767231329	0.783449355024585	0.446223534415888	0.318969325263214	0.0843141074654208	0.000309715167249358	0.515722843349889	0.254358778518696	0.381472584653965	0.251400979436175	0.000630283643159962	0.166900142057636	0.750697422958475	0.112495856678801	0.411443778236356	0.65387999222212	0.776764241216988	0.0603196144245075	0.49927297090089	0.685550305680611	0.689692518647161	0.75881695188181	0.569649370274899	0.323215297221168	0.0739975236310882	0.802950363625669	0.177532917095011	0.381330224177489	0.76204110761663	0.390433488438732	0.38535845344569	0.588489737577418	0.756025567633967	2.80854771362066e-05	0.634704561870749	0.425776101952623	0.184369745077592	0.178141012592871	0.32499663259769	0.265133756997505	0.307622160286975	0.423443636255508	0.785898687844562	0.759942288018646	0.51983686156036	0.385673206903753	0.270932911961958	0.106524123997612	0.316224333626991	0.209429095260901	0.812722628596262	0.692792388540735	0.173295329163903	0.640558762383159	0.689080926346095	0.312117210310679	0.525381876388068	0.0529047252452835	5.7763304820727e-05	0.0652671166651034	0.642471033187857	0.0896967608535795	0.62100465528795	0.293016436012909	0.00722343847812413	0.580725926581446	0.2254076987619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sp4	0.000456943364197555	0.183492515147133	0.617784817453894	0.0461117529612651	0.182088378589774	0.752596706682307	0.446477980012748	0.902892119304462	0.364952455401949	0.346169123850783	0.235971234311321	0.780103755601639	0.784581939583314	0.348713163613196	0.832228249415186	0.575653060920239	0.748685323406198	0.579908400509601	0.849510561844527	0.53624298896918	0.249002537834769	0.251506116577689	0.535008127244227	0.013580964073504	0.12185559161869	0.567480465560249	0.580792940417661	0.15156293771718	0.197320281986464	0.417954879155418	0.689442696222123	0.255036065286325	0.612656997806744	0.697175385873451	0.291029453878028	0.882944788301925	0.561438239002299	0.383239210323212	0.555533967941094	0.218283016154521	0.640026672110558	0.756024000708706	0.601242666080825	0.127743195051221	0.531731169999686	0.526432969760002	0.279787949904993	0.428286858601543	0.538422891218443	0.625700487409295	0.166926245877926	0.412801104649873	0.638175264425832	0.564430913562693	0.0302092341944821	0.390039638814814	0.254385805220672	0.0575605560749912	0.649741344526848	0.463217283164335	0.159270233377078	0.687223753000986	0.597448262098747	0.658317350139888	0.08554103296566	0.549103174120528	0.000380837794312437	0.592814035289104	0.560485231226991	0.89616197497861	0.755059419922032	0.33769673670728	0.0892469889962696	0.126986648020631	0.000477750242185658	0.000186187518545656	0.331224560995902	0.00548657528829222	0.00212961154853927	0.0189909025107368	0.827661949127336	0.256764716332261	0.000788717765618617	4.65549040088275e-05	0.131891987722606	0.28360028107269	0.359685872424606	0.438626316812907	0.00199790838363624	0.358487734776069	0.673286951423679	0.650580961347848	0.683222561771842	0.900114492702596	0.343267010505405	0.0299601393236518	0.407344160569964	0.755947822671705	0.395042226859162	0.684030647961476	0.696877789517365	0.587533732800633	0.798094503133225	0.757631170583711	0.164927740348889	0.0255385857109305	0.775040627477179	0.40004686626377	9.10449098835772e-08	0.76632312727196	0.396626713127094	0.0843742887905852	0.71606277695215	0.397032321904896	0.281431098639831	0.629994026228725	0.76082843115433	0.728692551267091	0.487655436897895	0.528922903082695	0.876363348370675	0.334125129814493	0.310742968113701	0.022655106398201	0.292026238436842	0.272378075415951	0.858084652702103	0.0226833699535657	0.511136324881936	0.288634773441958	0.193712243313185	0.0111368450754505	0.571528131538049	0.308671634742292	0.720496971648568	0.270136853980787	0.38664203652487	0.603118359426383	0.360152830527294	0.73793318014105	0.715547731626504	0.54275787953817	0.45737010079968	0.125303626664001	0.445704883823629	0.579315689772945	0.500506531889508	0.94479080664592	0.0240378688703831	0.585510868440063	0.113093447011519	0.530425101601798	8.07265031268516e-06	0.674427122700362	0.397065953619907	0.417039352136801	0.530093962898071	0.485346034313468	0.285470812286427	0.04126907636365	0.850666623445752	0.313959601148055	0.543199365329713	0.389795234773173	0.659250016298747	0.162502574155941	0.175846531208701	0.296374240106075	0.0884664617579332	0.785810007257746	0.891358071214805	0.290137138958159	0.832844741860199	0.343063041738097	2.26553853069319e-05	0.440386162839421	0.536616552325703	0.677979752850973	0.580076206462611	0.145481911415242	0.542698067255063	0.380132863158858	0.71710357411722	0.690110159611964	0.706669925713388	0.310689421678649	0.254641693517371	0.577761867277912	0.943225999074333	0.288441322375162	0.463871886094571	0.652000117568247	0.234808320820643	0.143467180856561	0.215012468708228	0.250685377029911	0.207386126589799	0.07511973889623	3.14301633442639e-05	0.647663501637477	0.74509013787285	0.45089121033931	0.000154143771529487	0.000292054252960909	0.733583318539248	0.1402193475288	0.0962030700483317	0.000450107386056587	0.511190885775515	0.163512337614234	0.22690455681694	0.118177638078485	0.844858979632948	0.636822292550638	0.179673617830638	0.407612427871118	0.686222024385875	0.828792704035352	0.431866280901275	0.629854296337947	0.363325621164053	0.758986111768723	0.619378635928178	8.77238769165476e-09	0.301097486888409	0.172530116839186	0.427747780810128	0.00019422228704859	2.9088980066898e-06	0.395752034276076	0.599573184560628	0.711308571089246	0.619587036166313	0.00457263393546922	0.573183875093293	0.792729048752462	0.696583539252561	0.147793494824856	0.210028367852405	0.623188969926576	0.535877328135219	0.418724358714659	0.359918207826804	0.825499200771867	0.608659062006223	0.655089553090162	0.039101202650908	0.885768585608849	0.0188899988371525	0.882666546493394	0.199036629092443	0.228311977406822	0.719514744606547	0.386309318685455	0.785228887503409	0.842550435585113	0.140235324629602	0.429926407915759	0.620061800531403	0.491814133849961	0.588895201546128	0.379933593637664	0.209476154779074	0.00146374879434126	0.654208837006729	0.290706508902439	0.00034368583595433	0.369865047590781	0.000248100318813526	0.032860144759718	0.26989118424168	0.921588540477462	0.00453602157133028	0.368697532065289	0.5242492467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