X45	X353	X471	X414	X48	X12	X56	X129	X143	X225	X349	X495	X110	X206	X34	X487	X413	X41	X298	X87	X242	X404	X424	X322	X40	X68	X171	X277	X318	X1	X263	X305	X160	X286	X214	X273	X291	X209	X360	X333	X340	X107	X467	X4	X344	X281	X434	X264	X285	X440	X106	X327	X357	X51	X383	X123	X289	X183	X259	X250	X303	X189	X363	X144	X212	X456	X157	X324	X65	X406	X57	X176	X105	X342	X488	X38	X16	X290	X74	X367	X29	X152	X213	X481	X188	X93	X104	X464	X130	X493	X103	X450	X54	X474	X307	X423	X231	X133	X296	X332	X47	X222	X408	X126	X72	X216	X401	X301	X308	X345	X451	X33	X452	X463	X356	X217	X361	X427	X442	X444	X186	X155	X468	X182	X354	X462	X77	X100	X480	X454	X142	X388	X294	X431	X359	X112	X472	X411	X398	X415	X139	X202	X210	X473	X339	X379	X114	X362	X117	X50	X239	X261	X317	X66	X49	X282	X311	X437	X205	X89	X346	X238	X218	X181	X165	X55	X90	X397	X199	X418	X64	X97	X20	X385	X244	X486	X343	X194	X31	X73	X190	X234	X348	X249	X376	X292	X334	X288	X23	X35	X221	X158	X136	X52	X364	X496	X63	X248	X14	X184	X373	X145	X389	X365	X470	X335	X120	X101	X61	X39	X476	X455	X219	X254	X380	X162	X30	X21	X310	X111	X407	X95	X255	X279	X351	X372	X498	X174	X417	X337	X58	X300	X169	X236	X410	X460	X435	X170	X458	X70	X293	X180	X377	X326	X185	X211	X457	X497	X137	X226	X276	X366	X24	X381	X5	X204	X499	X82	X329	X227	X341	X127	X99	X128	X203	X416	X403	X200	X420	X25	X306	X28	X433	X338	X149	X260	X167	X391	X400	X86	X246	X430	X304	X252	X274	X161	X319	X215	X485	X148	X347	X394	X461	X17	X207	X350	X233	X141	X312	X119
sp1	0.369035564582072	0.469935981982124	0.513436031732306	0.279810222306839	0.143129561068494	0.601122778262489	0.392712389107426	0.428744864184447	0.447228357991111	0.258153926391384	0.765714841761009	0.729324162240082	0.0250568118661197	0.783206795328723	0.729318489249222	0.407854332786108	0.786112934443637	0.868161078010684	0.871460798330161	0.373825629056103	0.641292455788311	0.0241597917647811	0.251159686450673	0.0648922656251592	0.196043702206768	0.82848513408143	0.198469294108351	0.00687880745044835	0.688727582381252	0.28607341618587	0.72608662614323	0.458386936477305	0.146761747338078	0.088108405932871	0.395428379654355	0.575891224002295	0.826546917115044	0.402193312526263	0.194630943744949	0.944457181559781	0.399289850003164	0.155802062256244	0.768511216541486	0.102936937249123	0.32358478703317	0.681379675614804	0.316845382122004	0.51869713967664	0.712227548387869	0.80745410318941	0.453404431151208	0.323399043486704	0.160404151144823	0.39618889605233	0.371424275505691	0.677293570428414	0.579846679365211	0.900608624664865	0.330387582822112	0.266023673643144	0.26381765495686	0.916371162096592	0.857081713954415	0.942476713201248	0.00296638780927254	0.113803466268939	0.644320691873626	0.276835482979967	0.476978808851227	0.946746678181129	0.692279863011993	0.100838676091554	0.749210925348181	0.931106963596903	0.866670893845137	0.0101627103487341	0.451604824229882	0.0181552272010157	0.372948426536585	0.219619044294589	0.0191838678544047	0.893920171155563	0.561741396697174	0.704361420261838	0.891759606397288	0.640539952710546	0.323524661737529	0.893966336084649	0.66607730304516	0.0189912949173026	0.315516908212685	0.122367859087073	0.102338904169749	0.602721011354624	0.0740037175050424	0.493652320622323	0.00168569885337333	0.015792019768124	0.296313759353609	0.71708354909244	0.328204827886372	0.0880762889244437	0.401606896588095	0.0284858309802791	0.802443755661113	0.0665413371349026	0.0950553393031417	0.439328844439702	0.922074742626887	0.373996439321414	0.639840675931717	0.570940995518423	0.220200093999611	0.24575722032585	0.0831274568631104	0.442497451003645	0.834113835767806	0.875627060155095	0.622087766622813	0.898444671212307	0.238770211934971	0.549955817779829	0.00762255541098689	0.789905038290803	0.817505388002473	0.87721175598497	0.805479593849652	0.367957037283331	0.0873797045462973	0.248321221119731	0.275996181893093	0.00755321993636001	0.747099160242749	0.49323786193429	0.193242476360587	0.539755212832025	0.69819727827264	0.0969434964038872	0.861977762121964	0.856241861638942	0.312954864736593	0.663088744827872	0.730667780099576	0.712772672889294	0.601951107629696	0.0509341529449544	0.7042052071462	0.406604652027502	0.355861485731915	0.795283178847366	0.50096896072993	0.508252262631243	0.869074558002475	0.632723731775717	0.852173403785801	0.700269536803513	0.423477468334219	0.354016902295144	0.251052101714084	0.776506878793982	0.0782563918440661	0.307218660642866	0.243543074508973	0.732503885860067	0.932355319255308	0.265890095914479	0.437636245783687	0.293090306535999	0.142816122764586	0.0180827005133222	0.53647666615885	0.55099872677687	0.425644592684229	0.727146225895163	0.287118070454523	0.0872446578968995	0.663224417413474	0.435826776585372	0.0022950419629462	0.236356935923915	0.936910716637426	0.871389876110455	0.18221174720477	0.100590119249342	0.161536570828371	0.219123490286622	0.132720210262539	0.448629954232432	0.644861606762821	0.65002790039103	0.633511500667275	0.863995361337976	0.506328325837604	0.226957028138417	0.522951479119507	0.029831787176981	0.463131552307096	0.110669839719592	0.211192723056413	0.356371918177207	0.869999940170871	0.246047947931373	0.415294271379315	0.933712455102106	0.10999831424022	0.356167302924527	0.197505136434372	0.327876769509252	0.601835955172755	0.896030445832099	0.145255124824043	0.718021756415787	0.00395804376074552	0.983038653223232	0.607308632559539	0.875097933155773	0.833700323377937	0.597661688368643	0.45649058066729	0.744207502012788	0.162701070683663	0.85320833028093	0.410973718556593	0.372949679780998	0.938455911438284	0.561799383566862	0.424096765969252	0.328164276119059	0.0218818858068478	0.809070437682421	0.418729839985771	0.907743296680842	0.178865269979271	0.365648727349825	0.132427706563335	0.48729102810552	0.923243754417832	0.187008418385416	0.556224772669375	0.0913985413987823	0.0991679871606298	0.0167350813388574	0.435906065344039	0.179481195966828	0.634371020316535	0.915280212886857	0.927389528000974	0.143567998350472	0.158830074135832	0.89998359964621	0.581228229016821	0.00589064880092149	0.65898672471283	0.299586599284428	0.851945029992327	0.587175074289239	0.307127084759791	0.0526800771808203	0.218258718829463	0.39685929777088	0.795346436107404	0.761317550982338	0.0646124645756758	0.717168976191182	0.372829543285984	0.929373677029837	0.251050190317656	0.761595092006148	0.0620305258548212	0.586189583134268	0.309854304470453	0.458114150231661	0.830846237654528	0.828123243140115	0.242175420931806	0.90107880612361	0.93397888665113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sp2	0.00494993495491449	1.38317831676335e-06	0.11348469158188	0.318551418786499	0.000279312289639948	0.0650411249456335	0.0486836852031043	0.0254964304187126	0.216873630342634	0.30068973984809	0.0170233818981419	0.131783097395442	0.490401418043858	0.465728103976957	0.240869740868956	0.434499421826525	0.652865272638814	0.724305610413374	0.734006603195294	0.436706619189054	0.0150341197177648	0.387733397467518	0.322970923462365	0.00180703961395327	0.0666084918567563	0.499575979976674	0.450189077277065	8.57942435745412e-05	0.445080067456439	0.130650445903676	0.759030193504222	0.727317403995455	0.208561875288362	0.00130303723490146	0.435533408416369	0.640026032770875	0.0279413273027319	0.526242435194435	0.448139908097375	0.0558813614770825	0.821719628422234	0.175752210776081	0.264977726743054	0.456009180558689	0.533327219600909	0.0408093513029669	0.61641360919725	0.0829233291466297	0.0979138347160322	1.09285492112767e-05	0.0690878380577173	0.506629494421153	0.314560619914903	0.860316338806936	0.45694714481453	0.00671605896170009	0.101105623868465	0.36695563547333	2.97545653758459e-07	0.611537505192387	0.106001130116571	0.811988144817406	0.000336530439687876	0.162343281436188	0.0249113956158416	0.730522670399019	0.0670129081392852	0.82651257713856	0.203213783068359	0.00103032130495352	0.5214519882542	0.347769733949618	0.0523786263669026	0.743041683013304	0.205477964618982	0.303686266550975	0.0034267088573236	0.602341164825752	0.255236610978673	0.822697539809254	0.141737131042941	0.246856172452409	0.0490272247294596	0.412771052781403	0.143825609943823	0.0311610172510409	9.49549792230225e-05	0.287446875276639	0.139994986982417	0.0518785726664529	0.151517132173768	0.815389956300674	3.54787702627257e-07	0.767788545569441	0.539700232236512	0.0520678617066004	0.565943746097145	0.331326848834323	0.464284602138253	0.782561809167567	0.134463361417204	0.728743801777354	0.0220047683029501	0.626849771389125	0.742702938031527	0.26899725820766	0.80667682276106	0.153451265295333	0.0453948300684318	0.449045076762793	0.403187202429528	0.70118883227419	0.590120011117902	0.400153380712587	0.489272164598808	0.787301359915502	0.0748999147992985	0.238912448194996	0.758035698510883	0.665445304815003	0.0458376473668548	0.730356833568473	0.479822344898675	0.111397927529597	0.389710950552662	0.455164516361325	0.0720648600688478	0.329725506971774	0.121106461446683	0.726319358969885	0.653504236613185	0.00380863301323781	0.248913416788636	0.596478550682779	0.759154603976332	0.772098998173497	0.235931636560555	0.325548869365858	0.193678508214686	0.790925525778717	0.611719085682364	0.496084857174119	4.78785785538907e-06	0.38354224564419	0.109723697172831	0.802816157125468	0.680916111452157	0.171653101890776	0.627524578097916	0.536394547435688	0.559262358248185	0.518357350611843	0.193558084641981	0.244160841322688	0.00738749783185512	0.670753865728755	0.756401722765497	0.451583167565178	0.420606217469344	0.372492534304942	0.603873750456863	0.294705696804563	0.208127500851242	0.279784392343853	0.302311062571085	7.57647794163099e-09	0.380355076061935	0.785428183303497	0.194659018052342	0.0031585495244522	0.10897935994767	0.587802543836464	0.00118571890804495	0.32239640983561	0.410685899935442	0.380548955968612	0.428885883556829	0.406676730032714	0.291032901349656	0.0100690697892877	0.454644679300004	0.341959470591543	0.13247317890068	0.870738053530731	0.485420412367989	0.72345606809933	0.724171950932405	0.461283966475273	0.141454242205691	3.53759629311992e-05	0.0591402514838896	0.00816091114244352	0.356049330301983	0.12255592657973	0.42828957306059	0.686304766591425	0.435525415400266	0.315404255536715	0.0126948786619864	0.332776125530751	0.718660141035254	0.244749719285569	0.737043686834704	0.781088930733759	0.297926938339289	0.00159459374625705	0.348853494329159	0.0317143185370919	0.0112984791547711	1.08489030223805e-05	0.719853293356702	0.475010363998608	0.702401973328477	0.76095892167211	0.34782993307077	0.833329682185371	0.546544679134468	0.29092883565449	0.69216688231163	0.240514869918902	0.0130488276843959	0.7719771201139	0.402170777375441	0.785923465705546	9.34299844652129e-07	0.373419251952814	0.396963383150276	1.83702447314731e-06	0.332924379533145	0.266415446370859	5.90390934754505e-06	0.865883336750091	0.606819786025169	0.551919064350591	0.800459091196735	0.421171580243254	7.00525772398997e-05	0.61328865510793	0.608501771075432	0.221876179780969	0.528864976263568	0.318436992274627	0.44704358937001	0.765658807247806	0.385008255663455	0.164907344611656	0.32901726131692	0.2330973272255	0.241079665237001	0.0309490323820532	0.821167787766432	0.420618089038701	0.11005832728369	0.338583760490722	0.415513433803301	0.396281124454139	0.459362279376185	0.769447640728946	0.408486016326029	0.547799631188608	0.345412264253928	0.00136334343378462	0.368311704355226	0.246907579566441	0.682745214530077	0.691885820646063	0.23096376818077	0.000479699462618351	0.252151413623119	0.271986872681465	0.483516389262687	0.170790154331602	0.611964984216166	0.65139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sp3	0.193294835311521	0.892621801312231	1.08132406766508	0.745888520185678	1.06606541203596	0.476066073838064	0.263330972040625	0.969700734663728	0.782650404044615	0.211989052282577	0.443445665093792	1.13091404642134	0.150549053737944	0.657146797109796	0.475259816979544	0.677949192633119	0.766474618938169	0.606629668319939	0.855625300166129	0.98872194984561	0.116929754129723	0.372258500081022	1.16174472208071	1.01716308980736	0.160403453187566	0.621411792274659	0.846943178038045	0.507171250631126	0.957002149696288	1.03852646031795	0.195997225544704	0.769146673085042	0.511949698391762	0.772611317956688	0.177187917030469	0.585502802034483	0.891910136600855	0.823076038087988	0.623511336315805	1.00479220667143	0.763658811760588	0.374089587175203	0.396222028099122	0.169240707888004	0.0195184564856701	0.834315578290726	0.589786112207283	0.296094104134923	0.384918497103524	0.265715692365956	0.388924385460676	1.06525214720006	0.83895361972185	0.700004068335594	0.499350011999777	0.0691989877133048	0.695555699890906	1.0763771557509	0.915059942795866	0.482909397974536	1.12126743688322	0.641475498077318	1.08489809253734	0.388189804546619	1.14223752147993	0.862521674811902	0.095292654509914	0.725539217356157	0.153637182374179	0.714699040214572	0.257969232735094	0.405821303948498	0.608084494720333	0.32230679951809	0.215865395935002	0.0255159217705606	0.343481806718313	0.33369230878355	0.314980807092609	0.761112262083512	0.0745814546346587	0.195362507329072	0.240916979645963	0.354331172853536	0.36336619902515	0.854626820465205	0.940073360870398	0.837330683370775	0.198318506942788	0.984004950894769	0.683895741106438	0.171370910016494	0.200345982429531	0.553157706637882	0.773699380985677	1.12700659780386	0.223520824827855	0.827459846638439	0.695001554026778	0.506346905699755	0.03117016413422	1.0273757120698	0.616640777416808	0.413963250724993	1.0165979897809	0.312705205292533	1.01702358100281	0.51438807091957	1.13532586802973	0.0144083132601701	0.529190061611013	0.851279283415329	0.974617325889754	0.947883546083026	0.359748207029311	0.492813488310064	0.772565819357292	0.673543945412965	0.388524397367796	0.349660648544216	0.738148173758184	0.104898520355965	0.698801638675057	0.460099180354205	0.932821954407084	0.254182342269591	0.588636431594004	0.424097366570851	0.118092159107089	0.336656582745917	1.07730354821744	0.995121295672287	0.813513528579056	0.290327097102745	0.285473567456671	0.324670510893741	1.04362582481366	0.0843602322664685	0.833496780977857	0.589809480233107	0.650747658308814	0.57572570099124	0.60297743266779	1.10813083421289	0.860566146236447	0.523246240392593	0.275131977788201	0.0188647718643071	0.0369363464463508	0.903259216897556	0.539538669472498	0.472316519191408	0.053714701149284	0.924787554938814	0.197483261547977	0.861002807627442	0.792730131148082	0.356518842956905	0.365865787606675	0.632651303902419	0.269480523266793	0.830057994719712	0.197626493446067	0.332426893070231	1.0651674961323	0.274592988425574	1.08305797548639	0.924037888576849	0.27670471409897	0.528503671728187	0.88189001089175	0.00026086674361485	0.380599976573573	0.250011660003203	0.0492778900139453	0.237529356439925	0.174746816057172	0.483222819853065	0.246078374101398	0.548796308856491	0.715719627646443	1.02023126976424	0.000833566546152434	0.8060341407435	0.262583824585815	0.880131674975355	0.407491999243644	0.375461794175777	0.980726864871038	0.597377231294972	0.286514462652215	0.340665125238328	0.601439679593374	0.0517704402772892	0.842854450181949	0.865536192694314	0.893487116580856	0.0863579839955664	1.00462913584884	0.741373602083975	0.0843517718556118	0.857112268388839	0.0422473687148616	0.588267683850504	0.712230722503456	0.118090744948657	0.603625411882305	0.612281707465209	0.86526977114435	0.583252003092356	0.837260058077434	0.989172972603221	0.613896874303669	0.522398471600351	0.264502134863644	0.851849718008292	0.405761545180554	0.943419484660066	0.350588363356225	0.120582419563687	0.670900241548286	0.631615914990617	1.06459035161907	0.849930580384282	0.169117809353579	0.755755661503959	0.269218632037344	0.269419813331938	0.847265726582966	0.407519265338398	0.803036231782335	0.00029764849192438	0.812743967143305	0.134250137159333	0.0148193197001622	0.378156897079627	0.0753977327096055	0.419222780914915	0.652625246247111	1.02910820381206	0.578030561284874	0.118458659828416	0.0569583378563282	0.548340858309809	1.00140843790295	0.53356334317969	0.293580684985645	0.283557952424941	0.593384161295144	0.137491423761008	0.0922403957317985	0.411663623573436	0.304055475239895	0.399746252423755	0.978993345315812	0.129317738292714	0.770709214727194	0.311047891659464	0.298156486358643	0.915399822094877	0.718053065660887	0.955213091109452	0.461414519372781	0.414634031161993	0.984418016396749	0.999948881662815	0.78292942239921	0.536658647578316	2.30983753283876e-05	0.128075296321572	0.12913127903877	0.32573592097416	0.566152739182361	0.876585622633629	0.77660499262462	0.341071676924667	0.539955036227244	0.660943488398231	1.0568017377020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sp4	0.0707862392469168	0.592146281696858	0.429334241507084	0.734892422253245	0.747151942328474	0.179216997684957	0.674814036435973	0.485706686998994	1.04300080541248	0.0783849155277617	0.450840851967807	1.09064341246914	0.372596534264635	0.890666361479949	1.03102359506341	0.888418797842605	0.230679872035414	0.485094561135928	0.956438772865001	0.180452686028273	0.665438095081613	0.411917614814468	0.638419909883013	0.108439691617623	0.841543159672234	0.898414497855494	1.03837262936873	0.788830057739961	0.487074470259082	0.793364711585745	0.156747374092118	0.450903920871375	0.613840102806747	0.327078647875406	0.49385273251018	1.08821626127576	0.377036800092494	0.474804190841862	0.743919499667215	0.433539027708718	0.654288781460842	0.821427931234088	0.810416895564682	0.626920036487249	0.387771211267	0.391822892388852	0.404029208926658	1.06928007552764	0.364360705746242	1.0497693018564	0.334979517893281	0.937822177561816	0.103220261813641	0.368551772805264	1.02570348650748	0.50760405705656	0.524019352037866	0.663290914021812	0.342545346755837	0.150385930910205	0.579684649966285	0.740170397776559	0.94246807106594	0.29034106535345	0.976298915031379	1.02977210797989	0.977197699897331	0.272372852928763	0.241225054184592	0.751750911107107	0.284654504057372	0.688925233881946	0.847846220842243	1.01841701284285	1.01880662451092	0.356488153676446	0.36346059898374	0.903705395464111	0.892236557710794	0.560145555495046	0.357954584170232	0.998043255738669	0.527531085692604	0.178241785048454	0.961658092337195	0.46265843881088	0.752181019281222	0.719805889351543	0.800633798414945	0.792038502129202	0.518601917138392	0.939479174824982	0.0419841356227776	0.234847302163587	0.96668224777999	0.496058291144269	0.631374651252401	0.677395742104173	0.567456246212491	0.859354396127721	0.155229958084188	0.562753464249481	0.254526936072491	0.0338244920070527	0.795564595297796	0.396615742790585	0.426179986390593	0.694617250989513	0.286805843789684	0.82162121929411	0.609979514448538	0.430441382343584	0.462839095819302	0.983402329602938	0.850929492292157	0.975461378381006	0.302336407678793	0.959555808204096	0.409796559841908	0.877977314625716	0.953774634837715	1.04182321859199	0.279082498405332	0.63486703735883	0.336835145190914	0.567796634996225	1.13250673882486	0.700819164872633	0.672882879382087	0.903630791657205	0.972841684302669	0.936080438102904	0.878351029009006	0.158949114229714	0.935815424934012	0.235548505613237	1.12400509844673	0.73177080467444	0.244731228525475	0.288640922043516	0.818543801076509	0.148015509000135	1.00458072862526	1.04665380528497	0.569005102352661	0.0748649068789929	0.887834641818305	0.0942438027820082	0.343216297679352	0.244795406427259	0.638460375287319	1.02551851692524	0.742077542474773	0.490560786972952	0.597838775734759	0.532641063468542	0.373708366502281	0.776979000986572	0.219759457849348	0.455875154677219	0.354409131037842	0.950148101217479	0.749824520822568	0.131817975439813	0.322539000183786	0.472602716551891	0.801304063009375	0.200968382780798	0.809263128268745	0.0408962871621103	0.860851392957965	0.277117350242895	0.589043422804243	0.54056108683332	0.612072329953201	0.877009319215181	0.1158214718345	0.195508118615261	0.752095201644547	0.817359883575379	0.745163292171959	0.992123474697019	0.432740793200863	0.906700827506675	0.726697435634322	0.0927602407727856	0.989658083091435	0.570621962927957	0.638380833116167	0.317778878603763	1.0192920091787	0.984889029526197	0.858581455023935	0.313167295271406	0.224925419801704	0.587697232316419	0.22633184102418	0.107175850489444	0.764769735476263	0.333744917392242	0.932445072178976	0.322346795460511	0.613323132438287	0.293337391484632	0.165898767716994	0.183744600472878	0.875727510786246	0.242962577177508	1.03203273413073	0.568815618978564	0.549182191832504	0.711650820648161	0.778461556790723	0.270154904533435	0.188667345761329	0.225487441126536	0.739710171871692	0.138986076350383	0.140805475002008	0.820870194453461	0.256699529874236	1.01064214441756	0.190968725922592	0.470820316564679	0.173247471268124	0.851042746065901	0.784862356142968	0.0666397605194927	0.193756599358556	0.941094283111665	0.567470659272522	0.394075815655665	0.732997531381406	0.384967637501481	0.101385981051603	0.463647892933197	0.397256363769919	0.208843642864591	1.09375298693476	0.0624966846850449	0.301033830278003	0.863489454979985	0.253576279285831	0.289842342475771	0.932396470631193	0.790932931327445	0.284942907690272	0.458057573632062	0.116490076126736	1.10971561204617	0.209712426502234	0.338202423350584	0.499478609230052	0.879750852164652	0.624165385166891	0.470630073539522	0.148049884080855	0.51588351226994	0.214725186450113	0.771665807577167	0.378913981375168	0.910491863738381	0.679239326734053	1.12713573968605	0.57472702751665	0.585930619303497	1.03111840837841	0.189346652235635	0.389279409697669	0.173716530614736	0.652193861971046	0.860760817801265	0.83746842729087	1.13181371342322	0.418813909672302	0.619868881987578	0.902892460624611	0.537014970648171	0.788760580156535	0.595454481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