Model name: model_name=Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.836713165044785 cohesive_energy=4.485771163676649 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.9423718702618651 Energy: 0.9657881552604001 Energy: 1.8005958066520231 Energy: 0.9657881557412634 Energy: 0.9423760163528174 Energy: 0.9657881563519984 Energy: 0.9657881546093456 Energy: 5.0179292153340125 Energy: 0.965788154976692 Energy: 4.454027041849634 Energy: 0.9657881547875439 Energy: 4.453437917037474 Energy: 1.800595804496696 Energy: 0.9657881554585175 Energy: 0.9423692031628094 Energy: 0.965788154654645 Energy: 1.8005957941263704 Energy: 0.9657881550120316 Energy: 0.9657881555436271 Energy: 4.453322470470892 Energy: 0.9657881550613205 Energy: 4.453414617587791 Energy: 0.9657881549488219 Energy: 4.943722856453228 Energy: 0.9423760053329083 Energy: 0.9657881549926217 Energy: 1.800582392924283 Energy: 0.9657881547213348 Energy: 0.9423731155965072 Energy: 0.9657881558786329 Energy: 0.965788156892563 Energy: 4.45434243322201 Energy: 0.9657881538208936 Energy: 4.943732514371096 Energy: 0.9657881548651837 Energy: 4.453916705809431 minimum gb energy = 0.9423692031628094 eV minimum distance = 2.03829384509121 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 3.4836138137496047 Energy: 3.106058707941443 Energy: 2.946022006347483 Energy: 3.1057105518317374 Energy: 3.483618023241047 Energy: 3.105827221508406 Energy: 3.035628874044759 Energy: 2.9923718655768132 Energy: 3.1980104980354143 Energy: 2.992371865575587 Energy: 3.035628874044759 Energy: 2.9923718655768132 Energy: 3.003991080255846 Energy: 3.0415822017040846 Energy: 3.468747011590649 Energy: 3.0415822017040846 Energy: 3.00401767791931 Energy: 3.0415822017040846 Energy: 3.125443503490392 Energy: 3.0039344488521666 Energy: 2.945038210150425 Energy: 3.0039344488509405 Energy: 3.125443503491618 Energy: 3.0039344488521666 Energy: 3.1165491888563026 Energy: 3.080145780830016 Energy: 3.3256815392965593 Energy: 3.0801051201485206 Energy: 3.1165491888501724 Energy: 3.080092856310721 Energy: 3.0660882033857577 Energy: 3.017106590462826 Energy: 3.0775092937391073 Energy: 3.0171300945848794 Energy: 3.0660881918081464 Energy: 3.0171234020839064 Energy: 3.0449465250040872 Energy: 3.003223768582911 Energy: 3.103791969866865 Energy: 3.003240264477974 Energy: 3.044946500983792 Energy: 3.0032413951390238 Energy: 3.3092027533978534 Energy: 3.03755001224581 Energy: 2.9426512315177358 Energy: 3.037550011312085 Energy: 3.3092027533978534 Energy: 3.03755427631793 Energy: 3.1338519461698655 Energy: 2.9537501813663964 Energy: 2.943153325917867 Energy: 2.9537501813663964 Energy: 3.1338519461710916 Energy: 2.9537501813663964 Energy: 3.4874933987287955 Energy: 3.0345831895554434 Energy: 3.0103652642238035 Energy: 3.0345831886388814 Energy: 3.2357856817492157 Energy: 3.0345831905627247 Energy: 3.2207531214867604 Energy: 3.0121334084992717 Energy: 2.9498652870620736 Energy: 3.0121334084992717 Energy: 3.2207531214879865 Energy: 3.0121334084980456 Energy: 3.013707509409083 Energy: 3.0717496459741707 Energy: 3.0440674981510454 Energy: 3.07175212186898 Energy: 3.013707509410309 Energy: 3.0717493396371722 Energy: 2.9905506265944948 Energy: 2.9966626385085022 Energy: 3.1221290417143353 Energy: 2.9966626385121793 Energy: 3.0168943201182175 Energy: 2.9966626385121793 Energy: 3.070408559358218 Energy: 3.0157591663398606 Energy: 3.480370750623296 Energy: 3.0157632338354907 Energy: 3.072206341718653 Energy: 3.0157631166907186 Energy: 3.055193532650506 Energy: 2.9682305843513292 Energy: 3.1496807380361624 Energy: 2.9682305843525554 Energy: 3.0551907935406257 Energy: 2.9682305843525554 Energy: 3.0518922171706047 Energy: 3.073338644774272 Energy: 3.1401863063739093 Energy: 3.0717167767062064 Energy: 3.0518922171706047 Energy: 3.0711575671224143 Energy: 3.0576968244962166 Energy: 3.0160545956745866 Energy: 3.4480682622829777 Energy: 3.01605459568562 Energy: 3.0576968244962166 Energy: 3.016054595755443 Energy: 3.0542240332968897 Energy: 3.030435386708307 Energy: 3.1173878469030303 Energy: 3.030435382072615 Energy: 3.0542240332968897 Energy: 3.030435385334634 Energy: 3.1377316203130587 Energy: 3.0814080334206553 Energy: 3.1068962710039334 Energy: 3.0813943980617493 Energy: 3.1377316203155106 Energy: 3.081407761755249 Energy: 2.9716560303823076 Energy: 2.997862532713085 Energy: 3.0423027367314477 Energy: 2.9978625327118587 Energy: 2.9716560303725004 Energy: 2.997862532713085 Energy: 3.2087759029015044 Energy: 3.0341657625904985 Energy: 3.0284000766204575 Energy: 3.0341633164618824 Energy: 3.2089183454715093 Energy: 3.0341723455037664 Energy: 3.056860797802001 Energy: 2.9893009735037284 Energy: 2.947089149925062 Energy: 2.9893009735025022 Energy: 3.056860697172059 Energy: 2.9893009735037284 Energy: 3.0428797052127283 Energy: 3.0591203272931153 Energy: 3.3122519971846525 Energy: 3.0590965255332647 Energy: 3.042879795295689 Energy: 3.0591086810761734 minimum gb energy = 2.9426512315177358 eV minimum distance = 2.09687728912285 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 3.922606007925146 Energy: 3.074894339900054 Energy: 2.9622976630743696 Energy: 3.0748943969986406 Energy: 3.922606007925146 Energy: 3.0748943322072253 Energy: 3.124737142145689 Energy: 2.966695873924512 Energy: 3.197461106403954 Energy: 2.966695873924512 Energy: 3.124737142145689 Energy: 2.966695873924512 Energy: 2.9589962565994097 Energy: 3.0648631808640916 Energy: 3.2921417125438714 Energy: 3.064853000630261 Energy: 2.958424842416656 Energy: 3.064863167599409 Energy: 3.2000116970962127 Energy: 2.978600093623344 Energy: 3.1609396735880875 Energy: 2.9786000936247388 Energy: 3.2000116970948183 Energy: 2.9786000936240415 Energy: 3.2006860863771873 Energy: 3.0309161559785878 Energy: 3.306682243866572 Energy: 3.030916154546939 Energy: 3.2006860863750948 Energy: 3.030916146336228 Energy: 3.08536775691326 Energy: 3.0226102329910463 Energy: 2.9877001323919767 Energy: 3.022616173525567 Energy: 3.0853677569097733 Energy: 3.0226161760682264 Energy: 3.08668265763195 Energy: 3.0163002322464765 Energy: 3.064684217655545 Energy: 3.016299190078157 Energy: 3.0866186510633398 Energy: 3.0162985848283217 Energy: 2.9658300564126794 Energy: 3.023334886481219 Energy: 3.151792272036245 Energy: 3.02339842547084 Energy: 2.9658300564112845 Energy: 3.023406050706949 Energy: 3.109562229947936 Energy: 2.9632059650948483 Energy: 3.151686923588414 Energy: 2.9632059650948483 Energy: 3.109562229948633 Energy: 2.963205965094151 Energy: 3.1755836448494557 Energy: 3.0785966793424198 Energy: 3.182279607170126 Energy: 3.078546524438137 Energy: 3.1755836448487584 Energy: 3.0788091461243123 Energy: 3.0986813298060247 Energy: 3.0870860199504255 Energy: 3.202601158521189 Energy: 3.0870860199504255 Energy: 3.098681329803932 Energy: 3.0870860199511223 Energy: 3.453848827782811 Energy: 3.041115176791319 Energy: 3.094906843259568 Energy: 3.0410246436852924 Energy: 3.4538488328312043 Energy: 3.0411430000143898 Energy: 3.1886605824159315 Energy: 2.976342384375254 Energy: 3.0356268713836183 Energy: 2.9763423862906166 Energy: 3.2037844965701194 Energy: 2.976342385746268 Energy: 3.0300391628182246 Energy: 3.0505157470348045 Energy: 3.1606096013543197 Energy: 3.0505259209154416 Energy: 3.0300287347875456 Energy: 3.050511653824824 Energy: 3.22510484528447 Energy: 3.034044196272904 Energy: 3.1064547582407234 Energy: 3.034044196272904 Energy: 3.2251048460197875 Energy: 3.0340441962722067 Energy: 3.2031976405856595 Energy: 3.03932855496762 Energy: 3.1340668035733428 Energy: 3.039328554966923 Energy: 3.2031972569761793 Energy: 3.03932855496762 Energy: 3.1790158337296788 Energy: 3.020832499841762 Energy: 3.1853214247637256 Energy: 3.020832499841762 Energy: 3.1790158062913965 Energy: 3.020832499841762 Energy: 3.1998762856304936 Energy: 2.9762407190531386 Energy: 3.1167695505012256 Energy: 2.9762407190538367 Energy: 3.1998762856674507 Energy: 2.9762407190531386 Energy: 2.961290137809297 Energy: 3.0686554597687388 Energy: 3.1514073236237614 Energy: 3.0686559082044997 Energy: 2.9612901378106917 Energy: 3.068655230290577 Energy: 3.080875782806713 Energy: 2.959549287595854 Energy: 3.14011920948323 Energy: 2.9595492875944593 Energy: 3.0809130576482615 Energy: 2.9595492875965514 Energy: 3.4705622793223743 Energy: 3.111068434010175 Energy: 2.9861830439409256 Energy: 3.1110818262873963 Energy: 3.4705622793223743 Energy: 3.111062934993651 Energy: 3.036068837936673 Energy: 2.957848514023844 Energy: 3.221521478081919 Energy: 2.957848514023844 Energy: 3.036068841897764 Energy: 2.957848514023844 Energy: 3.157717631983734 Energy: 3.0207810244546596 Energy: 3.3468892707863356 Energy: 3.0207810244574493 Energy: 3.157717625925377 Energy: 3.0207810244553572 Energy: 3.2317351153553746 Energy: 2.9798012411581074 Energy: 3.0912561490204915 Energy: 2.9798012411581074 Energy: 3.231735115367229 Energy: 2.9798012411581074 Energy: 3.1532257405202793 Energy: 3.051953539405822 Energy: 3.26158958167187 Energy: 3.0519535575481513 Energy: 3.1532257405098187 Energy: 3.0519527695326634 Energy: 3.1695481393215372 Energy: 3.063470755487083 Energy: 2.9181123888107425 Energy: 3.063470768429068 Energy: 3.1695480669341562 Energy: 3.063470758123151 Energy: 3.173939959988611 Energy: 3.064535036325062 Energy: 3.0197217672368843 Energy: 3.0645350363480417 Energy: 3.1739524733616764 Energy: 3.0645350363968533 Energy: 3.118434670925493 Energy: 3.0364409815091444 Energy: 3.441444936020823 Energy: 3.0364409813774156 Energy: 3.118436872212458 Energy: 3.0364409815244855 Energy: 3.228338051591112 Energy: 2.988392404722248 Energy: 3.0970309967281895 Energy: 2.988392404576573 Energy: 3.2283380890167344 Energy: 2.9883924049445962 Energy: 3.1693945612988714 Energy: 3.019281096767038 Energy: 3.2164503118257457 Energy: 3.019281081380651 Energy: 3.1694074239874315 Energy: 3.019281086960873 Energy: 3.0445218020595184 Energy: 2.957804189336413 Energy: 3.2083720244213096 Energy: 2.957804189336413 Energy: 3.0445325650969086 Energy: 2.957804189335716 Energy: 3.4523241214228024 Energy: 3.0794757743874492 Energy: 2.9982537243280407 Energy: 3.079475774354675 Energy: 3.452570883463489 Energy: 3.07947577436374 Energy: 3.0663193169568195 Energy: 2.9692763200712307 Energy: 3.1819450131294786 Energy: 2.969276320069836 Energy: 3.066319316955425 Energy: 2.9692763200712307 Energy: 2.94715670431604 Energy: 3.073621182266873 Energy: 3.2021010051441494 Energy: 3.0739303466869354 Energy: 2.9471567034977424 Energy: 3.0736944014337886 Energy: 3.20336790743785 Energy: 2.979737559350228 Energy: 3.137305252789106 Energy: 2.979737559354412 Energy: 3.203374534375772 Energy: 2.979737559350228 Energy: 3.193074896296348 Energy: 3.0214658457023007 Energy: 3.171353252979844 Energy: 3.0214658457016035 Energy: 3.1930748963040183 Energy: 3.021465845700209 Energy: 3.207188644314248 Energy: 3.0219542534269204 Energy: 3.1716745112807727 Energy: 3.0219542534248287 Energy: 3.207188696085611 Energy: 3.021954253426223 Energy: 3.2197265338035006 Energy: 3.02245544531116 Energy: 3.10805750720869 Energy: 3.0224554453097654 Energy: 3.219726533804895 Energy: 3.0224554453097654 Energy: 3.1056514833433893 Energy: 3.051284195141427 Energy: 3.158574196486598 Energy: 3.0511301585971484 Energy: 3.1056514833426925 Energy: 3.051085575947049 Energy: 3.206164944560342 Energy: 2.974420736934803 Energy: 3.027567991060862 Energy: 2.974420736932013 Energy: 3.2061649445589473 Energy: 2.974420736932013 Energy: 3.459558879279578 Energy: 3.040528872063753 Energy: 3.101823278771463 Energy: 3.0405288720644497 Energy: 3.4595588792816696 Energy: 3.0405288720644497 minimum gb energy = 2.9181123888107425 eV minimum distance = 2.0561888200834 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 3.6394820459791837 Energy: 3.113309252999774 Energy: 2.9080401963217204 Energy: 3.1133092531661144 Energy: 3.6394820459646433 Energy: 3.1133092457890212 Energy: 3.0347027872387247 Energy: 2.9651194248733215 Energy: 3.225107374250111 Energy: 2.9651194236184995 Energy: 3.034702784433525 Energy: 2.9651194251026354 Energy: 2.9961957599208477 Energy: 3.039680445424673 Energy: 3.2812558762649533 Energy: 3.039680585976872 Energy: 2.9961967443207347 Energy: 3.039680541517349 Energy: 3.1028808942962796 Energy: 2.9523117940327652 Energy: 3.1538352925501676 Energy: 2.9523117940359964 Energy: 3.102894789080196 Energy: 2.9523117940327652 Energy: 3.10431352475674 Energy: 2.979278996026047 Energy: 3.376939603793478 Energy: 2.9792790066249237 Energy: 3.104313524758356 Energy: 2.979278995179805 Energy: 3.394362378354807 Energy: 2.9247132685410135 Energy: 3.3827451864926377 Energy: 2.924713276115108 Energy: 3.3943623783580383 Energy: 2.9247132694922002 Energy: 3.39327806765979 Energy: 2.921007603454936 Energy: 3.249509319442915 Energy: 2.921007557333627 Energy: 3.3932780676630205 Energy: 2.9210076008516577 Energy: 3.0044029494193034 Energy: 3.02637604419019 Energy: 3.0361667914695705 Energy: 3.0285538847492566 Energy: 3.004402956032517 Energy: 3.0266205718066113 Energy: 3.4178212096672183 Energy: 3.0091687545528356 Energy: 2.898366976944271 Energy: 3.009168754683631 Energy: 3.4082334470547693 Energy: 3.009168754446238 Energy: 3.0479664786394913 Energy: 3.0577709863417835 Energy: 3.0210900834265026 Energy: 3.0577709863450147 Energy: 3.046889518193382 Energy: 3.057770986361171 Energy: 3.228300210962915 Energy: 3.1444169373323807 Energy: 3.1972834541279336 Energy: 3.144416937329149 Energy: 3.228355059852761 Energy: 3.144416937309761 Energy: 3.627592331191533 Energy: 3.114670373318412 Energy: 3.3160999962384885 Energy: 3.11467037296638 Energy: 3.6275923311899168 Energy: 3.1146703730438956 Energy: 3.143949753233838 Energy: 2.9886473778849654 Energy: 3.224946222244234 Energy: 2.988647378040033 Energy: 3.143919082680362 Energy: 2.9886473778365317 Energy: 3.0049362124254464 Energy: 3.0382806887934892 Energy: 3.252701402442573 Energy: 3.0382807502842595 Energy: 3.004936192387152 Energy: 3.0382711624855143 Energy: 3.068025352699991 Energy: 3.052530327373398 Energy: 3.16880895904162 Energy: 3.0525303278449525 Energy: 3.067969751806153 Energy: 3.052534781819503 Energy: 3.118017145856901 Energy: 2.9869338475902856 Energy: 3.2541525951641312 Energy: 2.9869338476145204 Energy: 3.118017145856901 Energy: 2.986933847603211 Energy: 3.3904959561855805 Energy: 3.0515478675720877 Energy: 3.3809137164448684 Energy: 3.0515478699170067 Energy: 3.3904959561888117 Energy: 3.0515478833243153 Energy: 3.4014210122141133 Energy: 2.8997053332574727 Energy: 3.2600293920550243 Energy: 2.8997053332671667 Energy: 3.4014210121462924 Energy: 2.8997053332687823 minimum gb energy = 2.898366976944271 eV minimum distance = 2.04123143736916 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 3.400712964778851 Energy: 2.9928013264403703 Energy: 2.940025092333339 Energy: 2.9928043768604637 Energy: 3.41114441698879 Energy: 2.992803843947555 Energy: 2.8843239200534114 Energy: 2.908240275403964 Energy: 2.953984865740654 Energy: 2.908240245267162 Energy: 2.8849439606301286 Energy: 2.9082402735043735 Energy: 2.880128835683732 Energy: 2.992892179049901 Energy: 3.1982802979221456 Energy: 2.9891261206219233 Energy: 2.880125108693176 Energy: 2.9932687868758174 Energy: 3.0812056564810235 Energy: 2.908910616614406 Energy: 3.2270629085274503 Energy: 2.9089353854458015 Energy: 3.0785216996061675 Energy: 2.908910577484449 Energy: 2.9216241451412053 Energy: 2.9967343479935495 Energy: 3.2859839301001372 Energy: 2.996739611614718 Energy: 2.921629197208851 Energy: 2.9967433719722707 Energy: 3.2701929647134946 Energy: 2.9989300762824618 Energy: 2.9208297264405654 Energy: 2.998187489999005 Energy: 3.2701951369769593 Energy: 2.998950631986631 Energy: 3.2217298481822993 Energy: 2.917413352264384 Energy: 2.987634152077542 Energy: 2.9174133546027314 Energy: 3.2203438299911213 Energy: 2.9174133484450775 Energy: 3.1973444367721777 Energy: 3.005324885992947 Energy: 2.880122588878289 Energy: 2.9968563385861553 Energy: 3.1973379573231893 Energy: 2.990077056068047 Energy: 2.914203169158525 Energy: 2.908020685138734 Energy: 2.8730382641926697 Energy: 2.908020696611988 Energy: 2.9143197175583477 Energy: 2.9080207017791273 Energy: 3.0110145135958897 Energy: 2.9928101820638986 Energy: 3.4110074415419844 Energy: 2.992826843528731 Energy: 3.0110145135968485 Energy: 2.992804006145093 Energy: 2.9539858453518133 Energy: 2.908239007279304 Energy: 2.8724818631875557 Energy: 2.908239812879582 Energy: 2.9539854592442554 Energy: 2.9082403384000464 Energy: 3.1982797310119406 Energy: 2.988990648649487 Energy: 2.880130731483625 Energy: 2.993177826952981 Energy: 3.198279506671832 Energy: 2.9891155786263246 Energy: 3.1998676533298744 Energy: 2.9088712252583684 Energy: 3.0704276905536485 Energy: 2.9088717458090514 Energy: 3.2270656530157833 Energy: 2.9088799963024505 Energy: 3.2524483872826453 Energy: 2.9967379466535915 Energy: 2.9216232878945125 Energy: 2.996726838569718 Energy: 3.252448386163775 Energy: 2.996726859237275 Energy: 2.9208234377693127 Energy: 2.9980865864026187 Energy: 3.2900694692426846 Energy: 3.0211500553665527 Energy: 2.9208422080043754 Energy: 2.9980021345577796 Energy: 2.929441316392806 Energy: 2.9174128846878227 Energy: 3.240388776572053 Energy: 2.9174123283724422 Energy: 2.929441316227096 Energy: 2.9174125983507717 Energy: 2.880122589144606 Energy: 2.9978306993031225 Energy: 3.197337505448238 Energy: 2.989606416585989 Energy: 2.8801225890737085 Energy: 3.0053206803185195 Energy: 2.8730876298303794 Energy: 2.9080185870830815 Energy: 2.9140478526053135 Energy: 2.9080185835875496 Energy: 2.873041530971316 Energy: 2.9080185925557864 Energy: 3.411145861975143 Energy: 2.9927938829736016 Energy: 3.0110145135968485 Energy: 2.992813707523851 Energy: 3.400497916832328 Energy: 2.9928032038832617 Energy: 2.8724818553899194 Energy: 2.908240205377547 Energy: 2.953984996172886 Energy: 2.908239263112673 Energy: 2.8724818543927175 Energy: 2.908240236706992 Energy: 2.8801346359116127 Energy: 2.992891614153266 Energy: 3.1982776975272276 Energy: 2.9893599825124078 Energy: 2.8801389840308467 Energy: 2.9928928032545423 Energy: 3.0808699019837094 Energy: 2.908877797552862 Energy: 3.2270463786817207 Energy: 2.9088738605424527 Energy: 3.0808631425909523 Energy: 2.908877613472123 Energy: 2.9216224744247636 Energy: 2.9967232276844307 Energy: 3.252448381648999 Energy: 2.9967337337256397 Energy: 2.921620094104245 Energy: 2.9967337451529144 Energy: 3.2894128263549467 Energy: 2.9981887458965035 Energy: 2.9208445434041845 Energy: 2.998939047404896 Energy: 3.281782739491315 Energy: 2.99817559451477 Energy: 3.220142797307727 Energy: 2.917413354244456 Energy: 2.9294413159013817 Energy: 2.917413355911272 Energy: 3.207502971983263 Energy: 2.917413364987761 Energy: 3.197344881096642 Energy: 3.005319670384722 Energy: 2.8801225888964974 Energy: 3.005324736954625 Energy: 3.1973378464932907 Energy: 3.0053279831490483 Energy: 2.9140505185856456 Energy: 2.9080185789329174 Energy: 2.8730265244561686 Energy: 2.908019148662353 Energy: 2.914097991431382 Energy: 2.9080185837044263 Energy: 3.0572785126462056 Energy: 2.992803964357826 Energy: 3.400256672991158 Energy: 2.992803300304758 Energy: 3.056570880668166 Energy: 2.9928097502807867 Energy: 2.9539849623183203 Energy: 2.9082391010741584 Energy: 2.8724818188789802 Energy: 2.9082400365156182 Energy: 2.9539848932737933 Energy: 2.9082393691701047 Energy: 3.1983337143764787 Energy: 2.990240090217106 Energy: 2.880122656404481 Energy: 2.9902280285196263 Energy: 3.19827967169337 Energy: 2.9902262593077413 minimum gb energy = 2.8724818188789802 eV minimum distance = 2.03120877520567 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 2.972475145939815 Energy: 2.9485383106913106 Energy: 3.14938768967989 Energy: 2.9485383128709453 Energy: 2.972482120535983 Energy: 2.9485383116864408 Energy: 2.994763393191825 Energy: 3.2945986874638584 Energy: 3.096020811150922 Energy: 3.294603128344006 Energy: 2.994763409633744 Energy: 3.2946031284233146 Energy: 3.029966619596581 Energy: 3.1387805542243097 Energy: 3.090114521982297 Energy: 3.1387805542130525 Energy: 3.0299666199846933 Energy: 3.1387805542189215 Energy: 3.0676502796266205 Energy: 2.9436527338358074 Energy: 3.047169119523667 Energy: 2.9436527334587392 Energy: 3.0676502590988104 Energy: 2.943652733653956 Energy: 3.296805098817984 Energy: 2.9811669960175506 Energy: 3.1506407542236374 Energy: 2.9811670230375804 Energy: 3.296805098820331 Energy: 2.9811681483241497 Energy: 3.0476469985648604 Energy: 3.1325468043086024 Energy: 3.093898805393601 Energy: 3.1325468038594813 Energy: 3.0476325240673927 Energy: 3.132546803658636 Energy: 3.0958354544544995 Energy: 3.055045758426585 Energy: 3.077000786855489 Energy: 3.055045758426825 Energy: 3.095833554166223 Energy: 3.055045758427519 Energy: 2.948575843107333 Energy: 2.9418816919064006 Energy: 3.3144628758693364 Energy: 2.941881703458034 Energy: 2.9485631335697517 Energy: 2.9418817120813108 Energy: 3.0277235369177116 Energy: 2.9328229253562874 Energy: 3.150538253825764 Energy: 2.9328229253558074 Energy: 3.0224176052498755 Energy: 2.9328229253558074 Energy: 3.0603692326483314 Energy: 3.1335589024840558 Energy: 3.0603988970567118 Energy: 3.133558902502836 Energy: 3.0603692530524964 Energy: 3.1335589024861896 Energy: 3.1102796270005135 Energy: 2.9324628748198047 Energy: 3.0226940891454066 Energy: 2.9324628755706605 Energy: 3.110283437295695 Energy: 2.932462871890942 Energy: 3.342396550644422 Energy: 2.9386244469492566 Energy: 2.9486008512654514 Energy: 2.941434916091156 Energy: 3.342396549790996 Energy: 2.9414135725502533 minimum gb energy = 2.932462871890942 eV minimum distance = 2.0573431712072 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 3.5349545396857107 Energy: 3.2893395952388733 Energy: 3.223406988835837 Energy: 3.289339563444792 Energy: 3.5349545594436025 Energy: 3.289339652618409 Energy: 3.343922825678632 Energy: 3.22228729490843 Energy: 3.2095794820767503 Energy: 3.281095633487018 Energy: 3.343922825679951 Energy: 3.22229269424797 Energy: 3.2001976125172726 Energy: 3.2894906436085183 Energy: 3.178594567932994 Energy: 3.28949064388081 Energy: 3.2001976125205704 Energy: 3.289490643958582 Energy: 3.104491987316596 Energy: 3.231331807487475 Energy: 3.187010281650879 Energy: 3.2313318074848363 Energy: 3.1044919873152765 Energy: 3.2313318074821984 Energy: 3.1021050859255204 Energy: 3.23843427624651 Energy: 3.1132371472177365 Energy: 3.238434276248489 Energy: 3.1021050859235415 Energy: 3.238434276249808 Energy: 3.10700074078782 Energy: 3.273012187908443 Energy: 3.1862790114330783 Energy: 3.285312366184648 Energy: 3.107000713444011 Energy: 3.273012187908443 Energy: 3.334366800758913 Energy: 3.251093804608407 Energy: 3.2172651124472544 Energy: 3.2510938059612915 Energy: 3.334366442197319 Energy: 3.2510938039365818 Energy: 3.3052921151127674 Energy: 3.245335465502853 Energy: 3.1743152847923293 Energy: 3.2453354374806236 Energy: 3.305286948000436 Energy: 3.2453354654164768 Energy: 3.345767289496038 Energy: 3.3800151834548657 Energy: 3.2377345487058227 Energy: 3.38001518346344 Energy: 3.344798172390476 Energy: 3.380015183472675 Energy: 3.305260162483418 Energy: 3.2816167391165165 Energy: 3.0996911517045507 Energy: 3.2816040839404748 Energy: 3.305260162458353 Energy: 3.2816040521160823 Energy: 3.325753721401947 Energy: 3.224053486233471 Energy: 3.1928441694554404 Energy: 3.2240534862394075 Energy: 3.314709181736872 Energy: 3.2240534862446837 Energy: 3.177612333246775 Energy: 3.2446909903187513 Energy: 3.1850293930086546 Energy: 3.2446902004319256 Energy: 3.177571741489619 Energy: 3.244721014369431 Energy: 3.123276237890399 Energy: 3.254078200813227 Energy: 3.1380094847040985 Energy: 3.2540782008237805 Energy: 3.1232762381989385 Energy: 3.254078200813227 Energy: 3.388954000018414 Energy: 3.2705381402642715 Energy: 3.098344606111072 Energy: 3.270537877723107 Energy: 3.388954000015776 Energy: 3.270537863686613 Energy: 3.173913483337265 Energy: 3.2476350879472244 Energy: 3.186655798229437 Energy: 3.247635086252161 Energy: 3.1739247582642536 Energy: 3.2476350839854997 Energy: 3.2239436423150125 Energy: 3.235333919825791 Energy: 3.186884331522699 Energy: 3.2353339193563704 Energy: 3.2239436423110552 Energy: 3.2353339213679186 Energy: 3.2565334301705766 Energy: 3.2827933223732995 Energy: 3.1271888105280063 Energy: 3.2828034323522437 Energy: 3.2657509052705485 Energy: 3.2827175021004833 Energy: 3.1085677297603453 Energy: 3.414639233418864 Energy: 3.186416387856696 Energy: 3.4143903284491994 Energy: 3.108567619206298 Energy: 3.414642727562209 Energy: 3.2650316697086623 Energy: 3.2808803369851045 Energy: 3.1096574104876145 Energy: 3.2808803370312463 Energy: 3.265031669713279 Energy: 3.280880336785338 Energy: 3.131639567441968 Energy: 3.259709488504144 Energy: 3.131963222809419 Energy: 3.2491611754225875 Energy: 3.1314907658801676 Energy: 3.249161195051919 Energy: 3.109497302573936 Energy: 3.2807946387449567 Energy: 3.265254087441578 Energy: 3.2807946390482496 Energy: 3.109497302572617 Energy: 3.2807946435756645 Energy: 3.1877775538556694 Energy: 3.411029900178731 Energy: 3.1102314351024565 Energy: 3.411029044215549 Energy: 3.187777553856958 Energy: 3.411028076808918 Energy: 3.127473647585905 Energy: 3.2828581625454993 Energy: 3.2801427558693343 Energy: 3.282854660122676 Energy: 3.127473647575381 Energy: 3.2828514560673394 Energy: 3.188230086341959 Energy: 3.2350117073079345 Energy: 3.225883585655739 Energy: 3.2350117041432984 Energy: 3.1882300863333843 Energy: 3.235011540293405 Energy: 3.1844697392707086 Energy: 3.2478852533085183 Energy: 3.1736744863396584 Energy: 3.2478852519220243 Energy: 3.1844697392746664 Energy: 3.247885253057334 Energy: 3.0985111506540575 Energy: 3.271430194488699 Energy: 3.38894033835376 Energy: 3.271694575643734 Energy: 3.0985111506487804 Energy: 3.271674253015041 Energy: 3.136547678746442 Energy: 3.225582622445841 Energy: 3.122636843950741 Energy: 3.225582626556573 Energy: 3.136678333381222 Energy: 3.2255826154328404 Energy: 3.1750456797470528 Energy: 3.2515099034959114 Energy: 3.1778540044064996 Energy: 3.2517018104618427 Energy: 3.1756079163694584 Energy: 3.24356959225528 Energy: 3.1945587505855575 Energy: 3.217952652614653 Energy: 3.3769435104992453 Energy: 3.2179526526139925 Energy: 3.194558750617188 Energy: 3.217952652615972 Energy: 3.099530542602952 Energy: 3.3031224690233176 Energy: 3.3044031646887206 Energy: 3.3031224260039864 Energy: 3.0995305426036115 Energy: 3.3031235573132482 Energy: 3.235584136403056 Energy: 3.374768193294522 Energy: 3.3487009204141622 Energy: 3.3704836630172417 Energy: 3.2355838736628146 Energy: 3.371078230955936 Energy: 3.1739755113800534 Energy: 3.2449291043812276 Energy: 3.3034221181379007 Energy: 3.2449297134253707 Energy: 3.1739755113800534 Energy: 3.2449164697113853 Energy: 3.227324986352477 Energy: 3.251067296678854 Energy: 3.333467217437897 Energy: 3.2510672958309774 Energy: 3.227324987452857 Energy: 3.251067295212549 Energy: 3.1860918904038944 Energy: 3.2733770339462076 Energy: 3.106812606663183 Energy: 3.2733767695669087 Energy: 3.1860895882610123 Energy: 3.273376237472958 Energy: 3.09766100513358 Energy: 3.2618627578860404 Energy: 3.1020255349215824 Energy: 3.261862757885381 Energy: 3.0976617080620317 Energy: 3.261862757884721 Energy: 3.187635510227282 Energy: 3.233878869244156 Energy: 3.1319459668034297 Energy: 3.2338788692480835 Energy: 3.1876355102233243 Energy: 3.233878869245445 Energy: 3.1787886097668583 Energy: 3.2873585513077903 Energy: 3.1943592739545728 Energy: 3.2873663469257064 Energy: 3.1787886097642204 Energy: 3.2873697322858604 Energy: 3.211683394797495 Energy: 3.320118263534699 Energy: 3.3448707627187884 Energy: 3.3201182635624016 Energy: 3.211683394796835 Energy: 3.320118263489217 Energy: 3.205862842597278 Energy: 3.2893399911142014 Energy: 3.5349545809644662 Energy: 3.289340065549157 Energy: 3.205889689363483 Energy: 3.2893398381236634 Energy: 3.209592731754084 Energy: 3.2222931403296418 Energy: 3.3439228256806106 Energy: 3.2222918660347255 Energy: 3.209579464987691 Energy: 3.2222913741026606 Energy: 3.178594567932994 Energy: 3.289490642943918 Energy: 3.200197612518592 Energy: 3.2894906430013027 Energy: 3.1785945679343133 Energy: 3.289485329515139 Energy: 3.18712663347487 Energy: 3.2313318074881345 Energy: 3.1044919873159365 Energy: 3.231331807485496 Energy: 3.187646640746504 Energy: 3.231331807487475 Energy: 3.194821004265376 Energy: 3.23843427624651 Energy: 3.1021050859255204 Energy: 3.238434276249808 Energy: 3.195089336821238 Energy: 3.23843427624717 minimum gb energy = 3.09766100513358 eV minimum distance = 2.01445173041627 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 3.0379629344737378 Energy: 3.1429276362974523 Energy: 3.050203299052172 Energy: 3.142927632701532 Energy: 3.051372013802839 Energy: 3.14292763400573 Energy: 2.8192574206580048 Energy: 3.1085938297856717 Energy: 2.9652963547014366 Energy: 3.108593911770124 Energy: 2.8192574206595062 Energy: 3.108593885603577 Energy: 2.8307905036911887 Energy: 3.132074433821325 Energy: 2.9524037031930206 Energy: 3.1320744264898805 Energy: 2.83079487088373 Energy: 3.132074436623309 Energy: 2.8461978404735393 Energy: 3.118318387326427 Energy: 2.907785951518319 Energy: 3.1182990209526333 Energy: 2.8461978403474832 Energy: 3.118283741243992 Energy: 2.846901818280329 Energy: 3.1669605496999296 Energy: 2.884964946878032 Energy: 3.1669545735969695 Energy: 2.846901818280329 Energy: 3.166959369789941 Energy: 2.9997273846751313 Energy: 3.067172717613449 Energy: 2.8354340105838007 Energy: 3.067172717616452 Energy: 2.9998476104588274 Energy: 3.067172717613449 Energy: 3.0004820928557816 Energy: 3.067609863875966 Energy: 2.835448006579306 Energy: 3.06760986386996 Energy: 3.0004820928527787 Energy: 3.0676098638714615 Energy: 2.8469500097132117 Energy: 3.166652656473149 Energy: 2.857648036724998 Energy: 3.1666518705588733 Energy: 2.846950009707206 Energy: 3.1666517080757774 Energy: 2.8693789607727926 Energy: 3.1068612693616053 Energy: 2.9240944495735413 Energy: 3.105956595684892 Energy: 2.8693789607727926 Energy: 3.1058361665751857 Energy: 2.831619871682046 Energy: 3.131711609898094 Energy: 3.0046949883728815 Energy: 3.1317116242352663 Energy: 2.831608702547844 Energy: 3.131721383596263 Energy: 2.8182311954214287 Energy: 3.1087686514138038 Energy: 2.9214888395977527 Energy: 3.1084187097270517 Energy: 2.8183105638901718 Energy: 3.1087756855494413 Energy: 3.0500029780526665 Energy: 3.1429276377577353 Energy: 3.000478665986315 Energy: 3.14292763973879 Energy: 3.0513497218162935 Energy: 3.142927634727596 Energy: 2.8192574206655117 Energy: 3.108593802205388 Energy: 2.9726826690981647 Energy: 3.108593928519103 Energy: 2.8192574206565033 Energy: 3.1085937633555734 Energy: 2.8307948811342043 Energy: 3.13207441875024 Energy: 2.952403836911684 Energy: 3.1320508464063463 Energy: 2.8307948833419134 Energy: 3.1320744249650683 Energy: 2.8461978403924935 Energy: 3.1183171244174694 Energy: 2.9077796814122654 Energy: 3.1183223927665287 Energy: 2.8461978404780433 Energy: 3.1183019969684405 Energy: 2.846901818280329 Energy: 3.166968849339442 Energy: 2.7950041474427585 Energy: 3.1669637202785137 Energy: 2.846901818275825 Energy: 3.16695475544645 Energy: 2.999755139292909 Energy: 3.0671727176179537 Energy: 2.8354342619025275 Energy: 3.067172717616452 Energy: 2.9998853021673524 Energy: 3.067172717614951 Energy: 3.000482092858785 Energy: 3.0676098640380562 Energy: 2.835448006574802 Energy: 3.0676098637303917 Energy: 3.0004820928557816 Energy: 3.0676098638804703 Energy: 2.8469500097087073 Energy: 3.166652728301651 Energy: 2.8576350102296657 Energy: 3.1666523050387854 Energy: 2.846950009725224 Energy: 3.1666520241076705 minimum gb energy = 2.7950041474427585 eV minimum distance = 1.99552514645912 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 3.008672740175721 Energy: 3.30573040589905 Energy: 2.9499839683767823 Energy: 3.30573040589465 Energy: 3.0086720814359085 Energy: 3.3057304058935504 Energy: 2.8951895582673743 Energy: 3.1958834403357463 Energy: 2.940203293005107 Energy: 3.1958834403368463 Energy: 2.895189558269574 Energy: 3.1958834403357463 Energy: 2.996560343152648 Energy: 3.2195716288502307 Energy: 2.9229396875456084 Energy: 3.2195716288502307 Energy: 2.996560343151548 Energy: 3.21957162885243 Energy: 2.9021646752693346 Energy: 3.1918519443718627 Energy: 2.911839542348153 Energy: 3.191851955007134 Energy: 2.9021646752495376 Energy: 3.191851951968478 Energy: 2.880934508957997 Energy: 3.389876469962748 Energy: 2.8957283295463565 Energy: 3.3899955024056068 Energy: 2.881035738478916 Energy: 3.3901033250399597 Energy: 2.8970893049488775 Energy: 3.287199925771001 Energy: 2.8969567053580274 Energy: 3.2871999190846175 Energy: 2.897089304934579 Energy: 3.2872135101179127 Energy: 2.913923181150687 Energy: 3.2121301985353 Energy: 2.8752727669408955 Energy: 3.2120734240211584 Energy: 2.913923192400529 Energy: 3.2121069974635823 Energy: 3.4858076694899536 Energy: 3.309432297705071 Energy: 2.8999397160592655 Energy: 3.309392955625493 Energy: 3.4858076694899536 Energy: 3.309416542141548 Energy: 3.492757018389642 Energy: 3.309258533151629 Energy: 3.057283544520748 Energy: 3.3091107207389037 Energy: 3.4927476359359697 Energy: 3.3090188804701253 Energy: 2.8990586409136396 Energy: 3.206610410787572 Energy: 2.8835895353055587 Energy: 3.206610410786472 Energy: 2.899058640915789 Energy: 3.20661041079852 Energy: 2.907712375089228 Energy: 3.304076784191045 Energy: 2.8901274426685064 Energy: 3.30396084816527 Energy: 2.907712375094728 Energy: 3.3040348923457734 Energy: 2.8828279822273757 Energy: 3.417777509931301 Energy: 2.903728882662603 Energy: 3.417777490009633 Energy: 2.882827982226276 Energy: 3.417777507499516 Energy: 3.415428455311547 Energy: 3.1519683897337023 Energy: 2.9302906640047004 Energy: 3.1519683897315027 Energy: 3.415392878566846 Energy: 3.151968389729303 Energy: 2.9844035134842986 Energy: 3.206392229445748 Energy: 2.91216376407175 Energy: 3.206431454987832 Energy: 2.984403541638049 Energy: 3.2063793266494915 Energy: 2.8955448563498236 Energy: 3.200041500824261 Energy: 2.9332060444805417 Energy: 3.200041500824261 Energy: 2.895544856348724 Energy: 3.2000415008220613 Energy: 2.971345576054103 Energy: 3.3317303877713877 Energy: 3.014233935590431 Energy: 3.3317283019163617 Energy: 2.9713455754505813 Energy: 3.3317235474845934 Energy: 3.4713590408241295 Energy: 3.1879741268468855 Energy: 2.9767112180884943 Energy: 3.187974126832587 Energy: 3.4713590408252295 Energy: 3.187974126849085 Energy: 2.970919113315599 Energy: 3.26484363105792 Energy: 2.9169186242695524 Energy: 3.207951850755126 Energy: 2.97092373202361 Energy: 3.2652223820247963 Energy: 2.8964481388624232 Energy: 3.1870078984815384 Energy: 2.9070303903260957 Energy: 3.187007922486227 Energy: 2.8964481388613237 Energy: 3.187007870512464 Energy: 2.883361843753523 Energy: 3.3907069714410123 Energy: 2.8865027963791223 Energy: 3.390710434639554 Energy: 2.8833618869598223 Energy: 3.390706933001545 Energy: 2.9485369480745227 Energy: 3.2794812818170147 Energy: 2.903699768148101 Energy: 3.2794813043628417 Energy: 2.9485369480745227 Energy: 3.2794812933713673 Energy: 2.905868384878178 Energy: 3.2065175868318514 Energy: 2.875475992460682 Energy: 3.2065175928652194 Energy: 2.905868384878178 Energy: 3.2065175974726716 Energy: 3.470855911552089 Energy: 3.326285925238512 Energy: 2.9102603374624483 Energy: 3.3261249434632334 Energy: 3.470855911552089 Energy: 3.326122606822315 Energy: 2.9223316107005415 Energy: 3.3134832198351347 Energy: 2.8998424607727453 Energy: 3.313483219829636 Energy: 2.9223209105507224 Energy: 3.313483219834035 Energy: 2.912722349440979 Energy: 3.205965459053573 Energy: 2.891257340594434 Energy: 3.205965459053573 Energy: 2.912722357486136 Energy: 3.205965459052473 Energy: 2.9064250403851606 Energy: 3.3297084976316835 Energy: 2.8801620737536324 Energy: 3.3297084767700875 Energy: 2.9064250403851606 Energy: 3.329708461026028 minimum gb energy = 2.8752727669408955 eV minimum distance = 2.08986427866977 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 3.3531406450168064 Energy: 2.9032215099192342 Energy: 2.4615821726568123 Energy: 2.902456634010807 Energy: 3.353140652529261 Energy: 2.903221994134588 Energy: 2.8946223414913037 Energy: 2.648860396254024 Energy: 2.4290781473352134 Energy: 2.648860395228945 Energy: 2.8970559608449915 Energy: 2.6488603982200956 Energy: 2.4732176664741785 Energy: 2.843918443266844 Energy: 2.5643923601283194 Energy: 2.8438888474314648 Energy: 2.473217666410936 Energy: 2.8439354092721993 Energy: 2.8612058356676604 Energy: 2.6372304969695883 Energy: 2.404689148816528 Energy: 2.6372304969392477 Energy: 2.8612058356095793 Energy: 2.6372304970025295 Energy: 2.4564800836029024 Energy: 2.6629904966662408 Energy: 2.396543103530375 Energy: 2.6629904938492923 Energy: 2.456480083597701 Energy: 2.6629904977302905 Energy: 2.8138233796041217 Energy: 2.8076140018264018 Energy: 2.3911800831541647 Energy: 2.8076140040039124 Energy: 2.813823383403673 Energy: 2.807614004368709 Energy: 2.392867326647149 Energy: 2.8806508506256754 Energy: 2.380060172891976 Energy: 2.8806508507772994 Energy: 2.3928673266783176 Energy: 2.8806508507235926 Energy: 2.788669002211391 Energy: 2.8360465672809605 Energy: 2.414523362584324 Energy: 2.836046538575901 Energy: 2.7886690021412135 Energy: 2.836038095966355 Energy: 2.4198073213365463 Energy: 2.6671998003572566 Energy: 2.7780321559658776 Energy: 2.6671997916750327 Energy: 2.4198146996590926 Energy: 2.667205228773381 Energy: 2.8708233080362895 Energy: 2.8139867973963617 Energy: 2.9664670742864865 Energy: 2.8139867973842256 Energy: 2.8797684340792977 Energy: 2.8139867965090763 Energy: 2.888173675131361 Energy: 2.8322408095423 Energy: 2.9318543011591602 Energy: 2.8322407951776336 Energy: 2.8885328419110667 Energy: 2.832240778443089 Energy: 2.416059962852403 Energy: 2.8591297295814275 Energy: 2.41049903608086 Energy: 2.8591333964539523 Energy: 2.4160599615647786 Energy: 2.853336157916647 Energy: 2.411147984356618 Energy: 2.8292782024635175 Energy: 2.7788264004328163 Energy: 2.8292776850763346 Energy: 2.4111479843531503 Energy: 2.8292775659920553 Energy: 2.3929582477303737 Energy: 2.8349213330696177 Energy: 2.3846368988337634 Energy: 2.8349213330479848 Energy: 2.392992349436191 Energy: 2.8349213330063754 Energy: 2.8318885332726906 Energy: 2.8135368118551907 Energy: 2.3839652724220515 Energy: 2.832770377510011 Energy: 2.8318846977561054 Energy: 2.832770326056975 Energy: 2.4262531544227453 Energy: 2.888216429288022 Energy: 2.400213457614903 Energy: 2.8882110918923276 Energy: 2.426238557615644 Energy: 2.888201271966798 Energy: 2.84754499160266 Energy: 2.801098490271667 Energy: 2.4217660327110173 Energy: 2.801177846939197 Energy: 2.8475449916858406 Energy: 2.787447003972776 Energy: 2.475002990859815 Energy: 2.8258572362422147 Energy: 2.423537164056132 Energy: 2.825857238584313 Energy: 2.4709189548460975 Energy: 2.8258572371104287 Energy: 2.910125393541527 Energy: 2.6491371397640533 Energy: 2.4286044645065004 Energy: 2.649137141769095 Energy: 2.9101253933682307 Energy: 2.6491371416200717 Energy: 3.0261147514030826 Energy: 2.8524255560143508 Energy: 2.4974014411282925 Energy: 2.856237763647259 Energy: 2.4313572243158474 Energy: 2.856518270905982 Energy: 2.8818802282549445 Energy: 2.651125585689074 Energy: 2.46914802880762 Energy: 2.651125585597225 Energy: 2.8818802292115406 Energy: 2.651125585810397 Energy: 2.45376741360274 Energy: 2.8270455510157984 Energy: 2.4525332375344586 Energy: 2.8270455510461385 Energy: 2.453767412885283 Energy: 2.8270455509101184 Energy: 2.867063551883909 Energy: 2.6357877412526185 Energy: 2.3958431338221042 Energy: 2.635770344098357 Energy: 2.8670635532477395 Energy: 2.635784907102819 Energy: 2.430209208117389 Energy: 2.726778839458028 Energy: 2.3997888604361526 Energy: 2.726919196706584 Energy: 2.4302018526000317 Energy: 2.7268232187459316 Energy: 2.4082723883327275 Energy: 2.7939981329451187 Energy: 2.4099890150879957 Energy: 2.7940184727596753 Energy: 2.4082723846310543 Energy: 2.7939849938044654 Energy: 2.3907734058806858 Energy: 2.729784878109752 Energy: 2.379245874201187 Energy: 2.7297848767268116 Energy: 2.392118489533186 Energy: 2.7297848773896947 Energy: 2.469142664660762 Energy: 2.8339917475792626 Energy: 2.429999799611882 Energy: 2.8340171812123254 Energy: 2.4691426648453274 Energy: 2.82303745285842 Energy: 2.4184760652067494 Energy: 2.749062360483734 Energy: 2.8659693899059016 Energy: 2.749062369250045 Energy: 2.4183859725233434 Energy: 2.7490624092636433 Energy: 2.8663028606228007 Energy: 2.831171217672876 Energy: 2.9947413699280707 Energy: 2.831171218576593 Energy: 2.8662567004971855 Energy: 2.831171217925019 Energy: 2.4206023571751016 Energy: 2.7124319181606906 Energy: 2.9022509487210586 Energy: 2.7124319189075825 Energy: 2.4204968495803727 Energy: 2.7124319180844063 Energy: 2.4112844646070952 Energy: 2.8257423459068316 Energy: 2.4278185244052413 Energy: 2.827587409840404 Energy: 2.411284277362976 Energy: 2.828002248545706 Energy: 2.4103919429701968 Energy: 2.876576766150944 Energy: 2.8690694899874014 Energy: 2.865088381186387 Energy: 2.410392905019208 Energy: 2.8650847768622643 Energy: 2.38996238683333 Energy: 2.83111134546095 Energy: 2.3996735122131514 Energy: 2.8311113462026394 Energy: 2.3899624066273906 Energy: 2.8311113446889182 minimum gb energy = 2.379245874201187 eV minimum distance = 2.08424577703165 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 2.9771610793616095 Energy: 2.8865438411246886 Energy: 2.4996238145102163 Energy: 2.8865385169869167 Energy: 2.977161079357959 Energy: 2.8865461952517917 Energy: 3.0998521685252722 Energy: 2.6537576793610858 Energy: 2.482867593309498 Energy: 2.653757679364736 Energy: 3.099851946474636 Energy: 2.653757679359869 Energy: 2.9399491577367463 Energy: 2.896400775555735 Energy: 2.6270765042018054 Energy: 2.896400775550868 Energy: 2.9400242845763622 Energy: 2.896400775553301 Energy: 3.0950577888994113 Energy: 2.6501323583186136 Energy: 2.4653443011718945 Energy: 2.6501322705918975 Energy: 3.0950577889018454 Energy: 2.650136684451508 Energy: 2.5202088610295448 Energy: 2.8908501435621727 Energy: 2.462537310892122 Energy: 2.891151652028036 Energy: 2.520144082734101 Energy: 2.8906533336349822 Energy: 3.0498653259366613 Energy: 2.8131838936242377 Energy: 2.457627396272379 Energy: 2.8131838472922333 Energy: 3.0498653259342277 Energy: 2.8131838530735713 Energy: 2.50621283097366 Energy: 2.851080015381393 Energy: 2.448486437322677 Energy: 2.851081881011476 Energy: 2.506278994369641 Energy: 2.851059942089943 Energy: 2.9051006705819518 Energy: 2.82583719493573 Energy: 2.459090787194517 Energy: 2.8258371282830685 Energy: 2.905100670581344 Energy: 2.8258346778226437 Energy: 2.467553664243937 Energy: 2.8781801641773344 Energy: 2.721218123428643 Energy: 2.8781801641791596 Energy: 2.4675536642445453 Energy: 2.878180164176726 Energy: 2.7562652390528766 Energy: 2.8521201527407634 Energy: 2.8442844277637156 Energy: 2.851205779419293 Energy: 2.7562652390522677 Energy: 2.852066560511432 Energy: 2.4737531173661935 Energy: 2.845778845973125 Energy: 2.827687058565658 Energy: 2.8458128157598375 Energy: 2.4737531173643683 Energy: 2.845857296098926 Energy: 3.148941610252001 Energy: 2.87293466257913 Energy: 2.87875798150495 Energy: 2.8729346625706134 Energy: 3.1489416102507843 Energy: 2.8729346626088854 Energy: 2.836494373523838 Energy: 2.8826598074496257 Energy: 3.060642771844518 Energy: 2.882659807450234 Energy: 2.836494373521405 Energy: 2.882659807450234 Energy: 2.802301148204795 Energy: 2.861915117823536 Energy: 3.180531925806521 Energy: 2.8619174045700766 Energy: 2.802283965135569 Energy: 2.861913199802191 Energy: 2.819473467272494 Energy: 2.7928148976025113 Energy: 3.1543749531157843 Energy: 2.7928148974243663 Energy: 2.8194734672731023 Energy: 2.7928148974359255 Energy: 2.8178646272323262 Energy: 2.8737717261171976 Energy: 2.881547627030233 Energy: 2.873771725223264 Energy: 2.817864627224473 Energy: 2.8737717259681994 Energy: 2.8230321861890006 Energy: 2.869850030781369 Energy: 3.0471542234454247 Energy: 2.8698505960621494 Energy: 2.823040662455859 Energy: 2.8698505224514848 Energy: 2.4607585471969338 Energy: 2.8752129936196744 Energy: 2.8473278389473746 Energy: 2.875212993617849 Energy: 2.460758547302737 Energy: 2.875212993617849 Energy: 2.7787625895129344 Energy: 2.8712243536774844 Energy: 2.8264084091207793 Energy: 2.8712243536768765 Energy: 2.7787486185671644 Energy: 2.8712243536756596 Energy: 2.469371179844291 Energy: 2.9071380720446953 Energy: 2.4578754729112093 Energy: 2.9181743266342406 Energy: 2.4693711798388156 Energy: 2.9071340562668393 Energy: 2.7785364336019907 Energy: 2.858235554942876 Energy: 2.723211101627211 Energy: 2.858235555118587 Energy: 2.7782320414936597 Energy: 2.85823555503712 Energy: 2.4715193070228234 Energy: 2.8737419277446348 Energy: 2.451283770989795 Energy: 2.873739984360202 Energy: 2.4715192470636294 Energy: 2.873735307953379 Energy: 3.0544536957156745 Energy: 2.839174944101524 Energy: 2.451055960485047 Energy: 2.8391749441027407 Energy: 3.0545021667267087 Energy: 2.8391749441021323 Energy: 2.4937884740212577 Energy: 2.8769075663369144 Energy: 2.4634693975881397 Energy: 2.8769075663363055 Energy: 2.4937884740322085 Energy: 2.876907566339956 Energy: 3.077175474565806 Energy: 2.8636225396381683 Energy: 2.724323112498895 Energy: 2.863622539619917 Energy: 3.0771724923704196 Energy: 2.8636225396454145 Energy: 2.9053417965215402 Energy: 2.870852067918181 Energy: 2.4724263779148794 Energy: 2.8708520665547983 Energy: 2.9049817377617795 Energy: 2.8708520684697616 Energy: 3.0958223013898887 Energy: 2.7144757413733256 Energy: 2.4770404133302635 Energy: 2.7144757413721092 Energy: 3.0951548924909313 Energy: 2.714475741373934 Energy: 2.9475193696945854 Energy: 2.8655846975900605 Energy: 2.818444021745235 Energy: 2.865584697592494 Energy: 2.9475223130614125 Energy: 2.8655846975918857 Energy: 3.094699034513231 Energy: 2.8299427860886137 Energy: 2.650158693366103 Energy: 2.8299427860898305 Energy: 3.0946990344511756 Energy: 2.829942786092209 Energy: 2.9025893195578187 Energy: 2.869068982164485 Energy: 2.7510442012039547 Energy: 2.869068982160835 Energy: 2.902759821317303 Energy: 2.869068982191862 Energy: 3.0930658362174466 Energy: 2.6496002714273077 Energy: 2.460282143270251 Energy: 2.649600271410881 Energy: 3.093065836218664 Energy: 2.6496002709487327 Energy: 2.5005326546358173 Energy: 2.860033099128287 Energy: 2.7702930003257156 Energy: 2.8600330991252454 Energy: 2.500539972505343 Energy: 2.860033099128896 Energy: 2.7635810033572943 Energy: 2.8088948316706466 Energy: 2.4640598206921718 Energy: 2.808894831685856 Energy: 2.7635810033536434 Energy: 2.8088948316749054 Energy: 2.474610425416357 Energy: 2.8207286095366095 Energy: 2.761777193376799 Energy: 2.82072862242799 Energy: 2.47460144045289 Energy: 2.820728623149807 Energy: 2.7614318150408192 Energy: 2.8206797199254936 Energy: 2.4804041290212884 Energy: 2.8206797404000166 Energy: 2.7614318150359525 Energy: 2.820679745643766 Energy: 2.4640229394345754 Energy: 2.8089274815780176 Energy: 2.9254755888346717 Energy: 2.8089274815183964 Energy: 2.4640229394370086 Energy: 2.808927481517179 Energy: 2.7704758207341915 Energy: 2.843965052991045 Energy: 2.494761969048397 Energy: 2.843965077175035 Energy: 2.7704758207341915 Energy: 2.84396504926576 Energy: 2.460012477484114 Energy: 2.6498383424429974 Energy: 3.080775647439661 Energy: 2.649838342444214 Energy: 2.460012468850131 Energy: 2.649838342444214 Energy: 2.751076925116 Energy: 2.8764414798847517 Energy: 2.9076531783893094 Energy: 2.8764414798957025 Energy: 2.7510769251148384 Energy: 2.8764414799017866 Energy: 2.806947771722748 Energy: 2.8297674407069113 Energy: 3.0973919806935877 Energy: 2.8297679619002274 Energy: 2.8069477942173737 Energy: 2.829758872120887 Energy: 2.810885682314017 Energy: 2.865839366537568 Energy: 2.947144716752204 Energy: 2.865839366534526 Energy: 2.8108955180513546 Energy: 2.8658393665369593 Energy: 2.4768867393558347 Energy: 2.714602908047914 Energy: 3.6321865281339445 Energy: 2.7146029080466976 Energy: 2.4768861887262617 Energy: 2.714602908047914 Energy: 2.4751313441732057 Energy: 2.8708528527861508 Energy: 2.9074259497753143 Energy: 2.87085285388804 Energy: 2.4751313441695557 Energy: 2.8708528511600573 Energy: 2.811358496698666 Energy: 2.8633427472416866 Energy: 3.0799927709606236 Energy: 2.863342747251421 Energy: 2.811350873055545 Energy: 2.863342747198547 Energy: 2.4634429321847047 Energy: 2.8767945647117377 Energy: 2.4936522296614534 Energy: 2.8767945647111293 Energy: 2.463442932159208 Energy: 2.876794564713562 Energy: 2.4505104463194853 Energy: 2.8392416422122078 Energy: 3.095659447304037 Energy: 2.8392416422073405 Energy: 2.4505104461431655 Energy: 2.839241642206732 Energy: 2.4513368389013297 Energy: 2.8740738328283784 Energy: 2.476774911061596 Energy: 2.874073832830812 Energy: 2.4513368520723997 Energy: 2.8740738328265536 minimum gb energy = 2.448486437322677 eV minimum distance = 2.09575151849211 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 1.4752036888944773 Energy: 1.475176570975603 Energy: 2.055646899249668 Energy: 1.4751765941045527 Energy: 1.4752036888960947 Energy: 1.475176607123386 Energy: 1.4439549432676722 Energy: 2.0268162010619957 Energy: 1.8933279861956949 Energy: 2.0268162011172564 Energy: 1.4439549432831507 Energy: 2.0268162011331046 Energy: 1.475203688895309 Energy: 1.4751765620059079 Energy: 2.0556469004388354 Energy: 1.4751765950372846 Energy: 1.4752036888948934 Energy: 1.4751765914197432 Energy: 1.4439549432522398 Energy: 2.026816201068511 Energy: 1.8933279462763244 Energy: 2.026816201053864 Energy: 1.4439549432449394 Energy: 2.0268162011575006 Energy: 1.4752036888940618 Energy: 1.4751765424388228 Energy: 3.0355910497582763 Energy: 1.4751765731694426 Energy: 1.4752036888940618 Energy: 1.4751765796762486 Energy: 1.4439549432551044 Energy: 2.0268162010099697 Energy: 1.893338160081329 Energy: 2.0268162010912434 Energy: 1.4439549432514545 Energy: 2.0268162011197055 Energy: 1.4752036888940618 Energy: 1.475176570164805 Energy: 3.110316609678993 Energy: 1.4751765781712731 Energy: 1.475203688895309 Energy: 1.4751765877444925 minimum gb energy = 1.4439549432449394 eV minimum distance = 2.33715889954581 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 3.5130385715635533 Energy: 2.9983512631267786 Energy: 2.829948067044929 Energy: 2.9983512631267786 Energy: 3.513038571511039 Energy: 2.9983512631267786 Energy: 3.1985019177570173 Energy: 2.452118705468731 Energy: 2.4881916533228656 Energy: 2.4521187054681777 Energy: 3.198515111098701 Energy: 2.4521187054692337 Energy: 3.2448149367858687 Energy: 2.9752157022934815 Energy: 2.550651830121535 Energy: 2.9752157022851815 Energy: 3.2448149367897416 Energy: 2.975215702292375 Energy: 3.3744245911207074 Energy: 2.6867500099277306 Energy: 2.476622824243919 Energy: 2.6867500099271773 Energy: 3.3744245911207074 Energy: 2.686750009928837 Energy: 3.056390469944965 Energy: 2.9466917469078653 Energy: 2.4778747772842253 Energy: 2.9466917469078653 Energy: 3.056390469944965 Energy: 2.9466917469078653 Energy: 3.344759002940095 Energy: 2.785251092684044 Energy: 2.5724860460015795 Energy: 2.785251092650342 Energy: 3.344759002941705 Energy: 2.7852510925872647 Energy: 2.8737259168815514 Energy: 2.9030933851251506 Energy: 2.583876055761979 Energy: 2.9030933851234906 Energy: 2.873723362846179 Energy: 2.9030933851251506 Energy: 3.033514212672982 Energy: 2.8494014973741497 Energy: 2.5938762197471568 Energy: 2.8494014973735964 Energy: 3.0334982197849962 Energy: 2.885234187777127 Energy: 2.6151198931630004 Energy: 2.796656908373274 Energy: 2.8829114446822177 Energy: 2.796656908369954 Energy: 2.6151198931613404 Energy: 2.7966569083727206 Energy: 2.933785523899092 Energy: 2.8919815015539876 Energy: 3.011452455682652 Energy: 2.8919815015373884 Energy: 2.9337855238979857 Energy: 2.891981501552881 Energy: 2.4653436784455485 Energy: 2.927252192168646 Energy: 3.201627018605877 Energy: 2.927252192168646 Energy: 2.465343681346367 Energy: 2.927252192168093 Energy: 2.8112183214987145 Energy: 2.9334414109642686 Energy: 3.0433651474482315 Energy: 2.9334414109642686 Energy: 2.811221449518884 Energy: 2.929263124266805 Energy: 2.5024902374601257 Energy: 2.7611587886272964 Energy: 3.400740728062406 Energy: 2.76115878861789 Energy: 2.5024902374573594 Energy: 2.761158788623423 Energy: 2.734879317464335 Energy: 2.9694474793495935 Energy: 3.396165888385983 Energy: 2.969447287213491 Energy: 2.73506610263853 Energy: 2.969446102321627 Energy: 2.600012819876606 Energy: 2.8748680792550148 Energy: 3.3208888775096055 Energy: 2.874868079702997 Energy: 2.60001281987384 Energy: 2.8748680773176143 Energy: 2.442181174310468 Energy: 2.979856154939028 Energy: 3.321203117073093 Energy: 2.97035104454372 Energy: 2.442180861185905 Energy: 2.9703545477906856 Energy: 2.5064404940462417 Energy: 2.8658351746369695 Energy: 3.4048290458092247 Energy: 2.8658351746236903 Energy: 2.5064404940473484 Energy: 2.8658351746585486 Energy: 2.4711187551595435 Energy: 2.953448538069255 Energy: 3.508160762783747 Energy: 2.952527366999081 Energy: 2.471118758487922 Energy: 2.9529587916072724 Energy: 2.646791606721041 Energy: 2.9181226062313823 Energy: 2.996347771994725 Energy: 2.918122606231936 Energy: 2.646791606721041 Energy: 2.9181226062308294 Energy: 2.572203571376212 Energy: 2.9609999599800534 Energy: 3.04680981185958 Energy: 2.9571852886247703 Energy: 2.572203571376212 Energy: 2.9571852886247703 Energy: 2.5592133044000995 Energy: 2.9567404263426726 Energy: 2.876162436314956 Energy: 2.9567404263426726 Energy: 2.5592133044000995 Energy: 2.956740426342119 Energy: 2.5851918023128193 Energy: 2.9780502283710217 Energy: 3.027723578409714 Energy: 2.948317172375867 Energy: 2.585191802323332 Energy: 2.942208932620631 Energy: 2.945110789035729 Energy: 2.929131349821857 Energy: 2.9345468489862436 Energy: 2.929131349811344 Energy: 2.945110789035729 Energy: 2.929131349820197 Energy: 3.0082851989387875 Energy: 2.972742687214047 Energy: 2.590878739031119 Energy: 2.9727419750199315 Energy: 3.0082851989802855 Energy: 2.983238128371128 Energy: 2.965423226674463 Energy: 2.949424144922963 Energy: 2.831041233037972 Energy: 2.9494241449235163 Energy: 2.9654231785388037 Energy: 2.9494241449224097 Energy: 3.009368756687738 Energy: 2.9846834172883896 Energy: 2.573968853883072 Energy: 2.986643525777213 Energy: 3.009368756684418 Energy: 2.987538947491579 Energy: 3.3418840412854425 Energy: 2.9438374647157124 Energy: 2.5442572347318895 Energy: 2.9438374646985594 Energy: 3.341879707510645 Energy: 2.943837464708519 Energy: 3.4827663407101284 Energy: 2.958241964935693 Energy: 2.4922440370939203 Energy: 2.958241964937906 Energy: 3.4827663407106817 Energy: 2.9697328974431874 Energy: 3.385951497455273 Energy: 2.9528948505096198 Energy: 2.7384614159720297 Energy: 2.9528948505173664 Energy: 3.3859514974563796 Energy: 2.9528948505101735 Energy: 3.440144326680421 Energy: 2.944616475992032 Energy: 2.478447364338366 Energy: 2.9446164759853923 Energy: 3.4401530805522644 Energy: 2.944616475983732 Energy: 3.4799445190996665 Energy: 2.948160768563469 Energy: 2.457813014261754 Energy: 2.948160768564575 Energy: 3.4799445190991127 Energy: 2.9481607685623623 Energy: 3.393259313743453 Energy: 2.9574699824518653 Energy: 2.7774819153321744 Energy: 2.957474947454549 Energy: 3.3932593137451126 Energy: 2.957451862517979 Energy: 3.3921323245241726 Energy: 2.8858003580863714 Energy: 2.477962796567865 Energy: 2.8858003580863714 Energy: 3.387070683643709 Energy: 2.8858003580841585 Energy: 3.0063866865385256 Energy: 2.9450133813024526 Energy: 2.5314881089996755 Energy: 2.945013260213943 Energy: 3.006386686539079 Energy: 2.9449985073950904 Energy: 3.3729051774116305 Energy: 2.9808671183635895 Energy: 2.579746259361896 Energy: 2.957213007041454 Energy: 3.372905177410524 Energy: 2.9808311306154667 Energy: 2.9488688516885033 Energy: 2.945194267935713 Energy: 2.9111545898282687 Energy: 2.9451940604177125 Energy: 2.9488688516885033 Energy: 2.945193891811242 Energy: 2.9667475623100446 Energy: 2.9405141468342424 Energy: 2.5969787118155505 Energy: 2.940514146832582 Energy: 2.9667475623520456 Energy: 2.940514146833689 Energy: 2.5872389189455474 Energy: 2.9147305639600067 Energy: 2.926949801489943 Energy: 2.9147305639600067 Energy: 2.587223626458617 Energy: 2.9147305639561334 Energy: 2.9431133037282633 Energy: 2.9597459362953473 Energy: 3.044716918425152 Energy: 2.988186006050304 Energy: 2.9431133037581416 Energy: 2.988296469818549 Energy: 2.5622767055899267 Energy: 2.83199334684333 Energy: 2.9505271165415063 Energy: 2.831993346841117 Energy: 2.5622767055888205 Energy: 2.831993346840563 Energy: 2.5570164319201365 Energy: 2.939247084042221 Energy: 3.0608902083437775 Energy: 2.939129535691345 Energy: 2.5570164319201365 Energy: 2.9319154487191548 Energy: 2.484297762262755 Energy: 2.926001726577345 Energy: 3.227516895983754 Energy: 2.926001726577345 Energy: 2.484297763781448 Energy: 2.9260017265767915 Energy: 2.5468546058253945 Energy: 2.9494640980399263 Energy: 3.43057896644216 Energy: 2.9515323398098015 Energy: 2.5468546058104553 Energy: 2.951870230040485 Energy: 2.4848587947898597 Energy: 2.71712942643309 Energy: 3.2778465437477364 Energy: 2.717129426408241 Energy: 2.4848587947898597 Energy: 2.7171294264341963 Energy: 2.4873539897667 Energy: 2.9700138201999415 Energy: 3.3574448945696327 Energy: 2.970020716612517 Energy: 2.4873539943068335 Energy: 2.9700107771962028 Energy: 2.4906665451488483 Energy: 2.6112372056031754 Energy: 3.3083067914759337 Energy: 2.6112372056009625 Energy: 2.490665593882553 Energy: 2.6112372056009625 Energy: 2.541050451197866 Energy: 2.9538074459434753 Energy: 3.3198374248431177 Energy: 2.9538074459418153 Energy: 2.5410504511342857 Energy: 2.9538074459473482 Energy: 2.4934353068839257 Energy: 2.5335620676467348 Energy: 3.279835432866124 Energy: 2.533562067772286 Energy: 2.493435306890515 Energy: 2.5335620676904465 Energy: 2.5517721979570065 Energy: 2.935514156013388 Energy: 3.0559240207713443 Energy: 2.935514156013388 Energy: 2.5517721979575594 Energy: 2.935514156012835 Energy: 2.566385045857599 Energy: 2.78444462953244 Energy: 3.173992210732194 Energy: 2.7844446295335468 Energy: 2.566385045855939 Energy: 2.7844446295341 Energy: 2.929819266409146 Energy: 2.917098343912549 Energy: 2.9993374145745273 Energy: 2.917098343913102 Energy: 2.9298192608762683 Energy: 2.9170983439119955 minimum gb energy = 2.442180861185905 eV minimum distance = 2.05584432365626 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 3.0975988879097813 Energy: 2.9613924548132093 Energy: 2.316060770885764 Energy: 2.9613924684728046 Energy: 3.0975988879044656 Energy: 2.961396929283315 Energy: 2.9387898058977946 Energy: 2.3353791565507516 Energy: 2.394152229644963 Energy: 2.3353788851554484 Energy: 2.938802804825748 Energy: 2.33537913871396 Energy: 3.045412001644695 Energy: 2.924265068492483 Energy: 2.3093453804976907 Energy: 2.924265068506912 Energy: 3.0453957414729556 Energy: 2.92426506848337 Energy: 2.910561536120614 Energy: 2.3415769261661596 Energy: 2.3686160849751277 Energy: 2.3415845909480097 Energy: 2.9105617348236206 Energy: 2.3415846714208914 Energy: 2.4150823374618127 Energy: 2.751241769747753 Energy: 2.490989246000991 Energy: 2.751241769746993 Energy: 2.4150823374929486 Energy: 2.751241769750031 Energy: 2.61314802357045 Energy: 2.7425281490472058 Energy: 2.351335510174692 Energy: 2.7425281490229043 Energy: 2.6132058250259 Energy: 2.7425281490274607 Energy: 2.3643342707090724 Energy: 2.737864756965355 Energy: 2.3709253845147673 Energy: 2.7378647569706707 Energy: 2.364334270702997 Energy: 2.7378647569706707 Energy: 2.3396410052743044 Energy: 2.88590026815862 Energy: 2.4068087892278203 Energy: 2.885843333652636 Energy: 2.339641005275823 Energy: 2.885903141795295 Energy: 2.3802481061506815 Energy: 2.551558370422433 Energy: 2.77725707763731 Energy: 2.551553326648616 Energy: 2.3802481061765017 Energy: 2.5515558781615586 Energy: 2.3169971338478215 Energy: 2.910829690619956 Energy: 2.978862756405216 Energy: 2.910829690619956 Energy: 2.316997133852378 Energy: 2.9108296906191966 Energy: 2.3671852097216264 Energy: 2.7387053235360908 Energy: 3.263326732475407 Energy: 2.7387053235633947 Energy: 2.367185209739093 Energy: 2.7387053235322933 Energy: 2.363954662525873 Energy: 2.954480211586837 Energy: 3.039354193934963 Energy: 2.9544802128044205 Energy: 2.3639546625266323 Energy: 2.954480212911429 Energy: 2.4057689513276785 Energy: 2.9021769765795655 Energy: 2.928644110986522 Energy: 2.9021769765818437 Energy: 2.405768951323122 Energy: 2.9021769765795655 Energy: 2.3308869033582313 Energy: 2.9276104593521306 Energy: 2.983085478094454 Energy: 2.927617968957252 Energy: 2.330894329479978 Energy: 2.927615627688351 Energy: 2.326783999755074 Energy: 2.9337751447158196 Energy: 2.6232059740666203 Energy: 2.9337692553931918 Energy: 2.3267839997588715 Energy: 2.933734338664932 Energy: 2.3417041620805907 Energy: 2.9979708336901574 Energy: 2.403135358362473 Energy: 2.997970830368442 Energy: 2.341704162077553 Energy: 2.997970717338721 Energy: 2.348726850086694 Energy: 2.8200560303922937 Energy: 2.8489018913804256 Energy: 2.820057931660292 Energy: 2.348726762204478 Energy: 2.8200540559347558 Energy: 2.9228485210055744 Energy: 2.9523487061756173 Energy: 2.3502038023801717 Energy: 2.927975256917886 Energy: 2.9228547636166637 Energy: 2.9523486902949756 Energy: 2.895448017261165 Energy: 2.9322305476656854 Energy: 2.3188897350373727 Energy: 2.932230547662648 Energy: 2.895606991428939 Energy: 2.932230547662648 Energy: 2.9523512593899257 Energy: 2.973224480542961 Energy: 2.3758700197856126 Energy: 2.97323938964899 Energy: 2.95229577879638 Energy: 2.9731944064754052 Energy: 2.956617271095008 Energy: 2.9588638011899113 Energy: 2.7729373717572283 Energy: 2.958863801175483 Energy: 2.9566110036613393 Energy: 2.9588638010775528 Energy: 3.0405751807458907 Energy: 2.934783084217003 Energy: 2.352615012752185 Energy: 2.93474608345682 Energy: 3.0405751807109573 Energy: 2.9348875168864565 Energy: 2.695784568172099 Energy: 2.934605026306552 Energy: 2.351563860467304 Energy: 2.9345269205410482 Energy: 2.6957818269937044 Energy: 2.9345115386783784 Energy: 2.9565640621629496 Energy: 2.960233040963622 Energy: 2.6857038201209713 Energy: 2.9602330409772915 Energy: 2.955484749672439 Energy: 2.960233040968938 Energy: 2.967227511665729 Energy: 2.9739469054582774 Energy: 2.3763747512449913 Energy: 2.9739469054537206 Energy: 2.967227511689271 Energy: 2.973946905406671 Energy: 2.893766108164698 Energy: 2.9323639043726035 Energy: 2.319044543927871 Energy: 2.932363904366528 Energy: 2.8937661080941073 Energy: 2.9323639043672873 Energy: 2.921219047028272 Energy: 2.9270057282113333 Energy: 2.3502471762042476 Energy: 2.9424693943524205 Energy: 2.921219047014603 Energy: 2.9276613797962443 Energy: 2.3489085292001275 Energy: 2.8183462776695802 Energy: 2.599650853228232 Energy: 2.8183462776536325 Energy: 2.348043887947737 Energy: 2.81834627767034 Energy: 2.3415911548412622 Energy: 2.997453746363843 Energy: 2.4030476937211405 Energy: 2.9974413775986943 Energy: 2.341591154839743 Energy: 2.997459792413268 Energy: 2.3269675147222704 Energy: 2.9334543536001414 Energy: 2.3577914806140163 Energy: 2.933457770877656 Energy: 2.326967514721511 Energy: 2.933454490508904 Energy: 2.324519656954133 Energy: 2.9179940965633318 Energy: 2.9834394551934125 Energy: 2.9179935811154243 Energy: 2.329765426772894 Energy: 2.917993761225573 Energy: 2.4068657563002063 Energy: 2.9021354457529287 Energy: 2.6774396184269924 Energy: 2.9021354457476125 Energy: 2.406865756304003 Energy: 2.9021354457476125 Energy: 2.364083576009396 Energy: 2.953996437776451 Energy: 3.0404284849890164 Energy: 2.9539964379222243 Energy: 2.364083576021547 Energy: 2.953996437831129 Energy: 2.3676248491978513 Energy: 2.739688676945417 Energy: 2.99473893551675 Energy: 2.7396886769499735 Energy: 2.3676248492077243 Energy: 2.739688676943139 Energy: 2.324531918911515 Energy: 2.910758511796857 Energy: 2.973009087727817 Energy: 2.910758511782428 Energy: 2.3245319189145524 Energy: 2.9107585117998944 Energy: 2.3805147257805084 Energy: 2.552153293345576 Energy: 2.6905182294571364 Energy: 2.552249252025961 Energy: 2.380514725835152 Energy: 2.552221913830871 Energy: 2.334175128868795 Energy: 2.7523708508115656 Energy: 2.4046250896221486 Energy: 2.7523687843113227 Energy: 2.3341751288718324 Energy: 2.8854543525982654 Energy: 2.37479391343288 Energy: 2.738016236032452 Energy: 2.612666479510341 Energy: 2.7380162353811497 Energy: 2.374793915697179 Energy: 2.738016235561821 minimum gb energy = 2.3093453804976907 eV minimum distance = 1.9616686318609 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 3.1883118228729876 Energy: 2.9922622066979283 Energy: 2.6697319234746733 Energy: 2.9922460944037854 Energy: 3.1882427363186863 Energy: 2.9922100825750415 Energy: 3.0184526469083863 Energy: 2.272259045722856 Energy: 2.381176148132366 Energy: 2.2722590270433285 Energy: 3.0184526571646835 Energy: 2.2722590522411914 Energy: 2.44029234088792 Energy: 2.813690447725253 Energy: 2.477519044749521 Energy: 2.81369036822868 Energy: 2.4402162861678773 Energy: 2.8136941570057203 Energy: 2.6715848312461827 Energy: 2.3007510014079986 Energy: 2.352648090270077 Energy: 2.3007510019049513 Energy: 2.671962452729383 Energy: 2.300751003259723 Energy: 2.3397142009893637 Energy: 2.787593913462909 Energy: 2.3121096585252126 Energy: 2.7875939132186196 Energy: 2.3397072174400986 Energy: 2.787593913608363 Energy: 2.30635049288437 Energy: 2.7920809070831676 Energy: 2.332682119230588 Energy: 2.7920809076323354 Energy: 2.3063504371003587 Energy: 2.7920809066132244 Energy: 2.3543930305220138 Energy: 2.5765785940591734 Energy: 2.7067175461543393 Energy: 2.576578590808856 Energy: 2.354393003409017 Energy: 2.576578590658738 Energy: 2.2874646989652243 Energy: 2.8178312713185902 Energy: 2.4387551755147694 Energy: 2.8178425795001925 Energy: 2.287465595290317 Energy: 2.817841327218065 Energy: 2.3331629153987508 Energy: 2.5327894913456594 Energy: 2.342447963458358 Energy: 2.5325841444883666 Energy: 2.3331629148243973 Energy: 2.532786018365703 Energy: 2.342298062687963 Energy: 2.978337367862589 Energy: 3.124591657717996 Energy: 2.978769047975658 Energy: 2.342298096549614 Energy: 2.976677366618551 Energy: 2.38453813301169 Energy: 2.9128520462854914 Energy: 2.342662256020092 Energy: 2.9128296415824346 Energy: 2.3845381024003562 Energy: 2.9128447966048 Energy: 2.280685414541058 Energy: 2.817655741100593 Energy: 2.431921272199823 Energy: 2.8176539976610475 Energy: 2.2806854147144957 Energy: 2.817642100563589 Energy: 2.2880900988094037 Energy: 2.2907236993505458 Energy: 2.6262160989512835 Energy: 2.2907236701834908 Energy: 2.288093896712691 Energy: 2.29072369372077 Energy: 2.31686599574535 Energy: 3.032434839004848 Energy: 2.331003722265154 Energy: 3.032434863318815 Energy: 2.3168660078580356 Energy: 3.0324348660208758 Energy: 2.326348862091968 Energy: 2.8269156022663573 Energy: 2.2838982403980657 Energy: 2.8268177085724204 Energy: 2.326355600672292 Energy: 2.826811676811544 Energy: 2.3397376093291897 Energy: 2.899478792901814 Energy: 2.358416836089649 Energy: 2.8260364075001054 Energy: 2.3391483645712414 Energy: 2.8260895050474977 Energy: 3.036701567081362 Energy: 2.904357382744728 Energy: 3.028305754306163 Energy: 2.9043575155181234 Energy: 3.0367046075037325 Energy: 2.904357508955967 Energy: 3.0957432761797468 Energy: 2.977025063271505 Energy: 2.322337198250999 Energy: 2.977025063132581 Energy: 3.095687405253248 Energy: 2.97702506323608 Energy: 3.1012438848399224 Energy: 3.001813338717205 Energy: 2.324282752449737 Energy: 3.0020374217313703 Energy: 3.1012438288088244 Energy: 3.0020286308868376 Energy: 3.0331482666812577 Energy: 2.9596064150184844 Energy: 2.3984317037071916 Energy: 2.959606415197519 Energy: 3.033147890137979 Energy: 2.9596064153196533 Energy: 2.3375900289340197 Energy: 3.1189764398743343 Energy: 2.3589638714611416 Energy: 3.11897347662969 Energy: 2.3375890000275836 Energy: 3.101360867029161 Energy: 2.324998914122286 Energy: 2.891399428656329 Energy: 2.281818333556023 Energy: 2.8913994296931422 Energy: 2.3249989179208383 Energy: 2.8913994281537594 Energy: 2.3195418310330127 Energy: 3.03263013103024 Energy: 2.3270818605102437 Energy: 3.032630127682954 Energy: 2.319541831167273 Energy: 3.0326301494673444 Energy: 2.2876484491288163 Energy: 2.9029633826425547 Energy: 2.324718434299158 Energy: 2.902962443420937 Energy: 2.2876484473591363 Energy: 2.9029628662462508 Energy: 2.2825983400868557 Energy: 3.1088011904887534 Energy: 2.4312855841568193 Energy: 3.1131230164138177 Energy: 2.282598343335307 Energy: 3.1093344965232954 Energy: 2.394531235431665 Energy: 2.9721682333000023 Energy: 2.3330627847911214 Energy: 2.9721696020079253 Energy: 2.394531235914646 Energy: 2.972168698638606 Energy: 2.3321004955588047 Energy: 2.9784002434150407 Energy: 3.1142076627004447 Energy: 2.978400635496605 Energy: 2.332222224295679 Energy: 2.9784076549447884 Energy: 2.3299972592963787 Energy: 2.983602099541052 Energy: 2.7740202910895633 Energy: 2.9967070890257874 Energy: 2.3299972606315618 Energy: 2.9835999807218383 Energy: 2.2829087593346227 Energy: 2.820515168695918 Energy: 2.4317957166797832 Energy: 2.8205151764123784 Energy: 2.2829087594670168 Energy: 2.8205151465973213 Energy: 2.3551498224675718 Energy: 2.5753925700059677 Energy: 2.6588668158898554 Energy: 2.575739090999777 Energy: 2.3551498300982567 Energy: 2.575736573692536 Energy: 2.2933566084286916 Energy: 2.7944713703298354 Energy: 2.329515137872516 Energy: 2.7944713702393953 Energy: 2.2932273877824905 Energy: 2.7944713702030164 minimum gb energy = 2.2722590270433285 eV minimum distance = 1.96900724076093 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 2.7033217890655585 Energy: 3.1964039852314934 Energy: 2.884772783030233 Energy: 3.196403975737689 Energy: 2.694252406700774 Energy: 3.19640399121581 Energy: 3.025181498810532 Energy: 2.4760463832439186 Energy: 2.638365255222093 Energy: 2.476046383245126 Energy: 3.0251815011803393 Energy: 2.4760463832463335 Energy: 2.56128979792673 Energy: 3.1724023686513965 Energy: 2.682458815648294 Energy: 3.172402229084016 Energy: 2.5612905283544167 Energy: 3.172402457863289 Energy: 2.5036458495583114 Energy: 2.502153800841185 Energy: 2.6015396982955283 Energy: 2.5021538021703775 Energy: 2.50364584955348 Energy: 2.5021538014436215 Energy: 2.6008076591997713 Energy: 2.4967506060405897 Energy: 2.774162817002419 Energy: 2.4967506060260964 Energy: 2.600807659955487 Energy: 2.4967506060285114 Energy: 2.4750547947984725 Energy: 3.1360249877500754 Energy: 2.556002508834666 Energy: 3.136024987785073 Energy: 2.4750547948033033 Energy: 3.1360249876993755 Energy: 2.5354544100191023 Energy: 2.805276911503873 Energy: 2.552600233675133 Energy: 2.80527691152317 Energy: 2.5354544100239336 Energy: 2.8052769113650324 Energy: 2.574350368309011 Energy: 3.1762200382166252 Energy: 2.684081707570871 Energy: 3.1762200383784136 Energy: 2.5743572628173275 Energy: 3.176220037994504 Energy: 2.6389879808725527 Energy: 2.4888885415172797 Energy: 2.4929839228185102 Energy: 2.4888885461627694 Energy: 2.63654305804093 Energy: 2.48888854647424 Energy: 2.47074826996681 Energy: 3.193482858412242 Energy: 2.5523855055609928 Energy: 3.1719501948952806 Energy: 2.470748292737909 Energy: 3.1936513716472854 Energy: 2.489039730954194 Energy: 2.493123080795141 Energy: 2.4955940428973618 Energy: 2.4931230807891023 Energy: 2.4890108264816586 Energy: 2.493123080911033 Energy: 2.5338074164278397 Energy: 2.8782379351959206 Energy: 2.609524205954626 Energy: 2.878234005999232 Energy: 2.5338074164399176 Energy: 2.8782314323425737 Energy: 2.557226178703155 Energy: 3.1421464992408867 Energy: 2.4883813394624696 Energy: 3.142146499291586 Energy: 2.5500702520721803 Energy: 3.1421464992952095 Energy: 2.5341110366352884 Energy: 2.8053173088810963 Energy: 2.5335972688243724 Energy: 2.8054282382706948 Energy: 2.5341110366352884 Energy: 2.8054408899160888 Energy: 2.532352030552194 Energy: 3.301055494244305 Energy: 2.551079324283604 Energy: 3.1946295698087854 Energy: 2.532352030363862 Energy: 3.2976676431976375 Energy: 2.549320679755581 Energy: 3.312568226839785 Energy: 2.64761995893665 Energy: 3.2967938943301744 Energy: 2.5493207155589044 Energy: 3.317917089652609 Energy: 2.5465648805521353 Energy: 3.266908138041531 Energy: 2.486738875656207 Energy: 3.2669081419698998 Energy: 2.5465629595692048 Energy: 3.26690813808136 Energy: 2.493066136436686 Energy: 3.03961213021916 Energy: 2.4917469767983444 Energy: 3.0396257163603595 Energy: 2.4930684053963814 Energy: 3.0396256893675377 Energy: 2.486370450543231 Energy: 3.2672853143863807 Energy: 2.54762885553436 Energy: 3.2672853137682702 Energy: 2.486370450543231 Energy: 3.2672853142716956 Energy: 2.648243828582461 Energy: 3.2832261335003436 Energy: 2.5513474490221095 Energy: 3.2830372685919804 Energy: 2.648243828604201 Energy: 3.2809696793998198 Energy: 2.5511643078422868 Energy: 3.3767830243921364 Energy: 2.5329024265179445 Energy: 3.3767930875486387 Energy: 2.551164307844702 Energy: 3.295289377791493 Energy: 2.533847166296721 Energy: 2.8912844478461865 Energy: 2.534333651686914 Energy: 2.8912842584654213 Energy: 2.533847166314838 Energy: 2.8912848990860254 Energy: 2.5754185152390496 Energy: 3.203395566993723 Energy: 2.5500338641010822 Energy: 3.203395566998554 Energy: 2.575418511554543 Energy: 3.2033955669792293 Energy: 2.608890579763996 Energy: 2.8781203710673133 Energy: 2.5335575332046116 Energy: 2.878094799168965 Energy: 2.608890578527775 Energy: 2.8781198959686574 minimum gb energy = 2.47074826996681 eV minimum distance = 1.98545098364153 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 2.737447606932129 Energy: 2.71346547142109 Energy: 3.0541432910307593 Energy: 2.7134856312854403 Energy: 2.7374476069389613 Energy: 2.713471230470133 Energy: 2.6475946032032227 Energy: 2.843502085762734 Energy: 2.65568793753035 Energy: 2.8419744581332544 Energy: 2.647594603206639 Energy: 2.71369341526227 Energy: 2.6030085924132833 Energy: 2.617689216296916 Energy: 2.610364490947216 Energy: 2.6176892182910407 Energy: 2.603013669373684 Energy: 2.6176812311804922 Energy: 2.5903627225933925 Energy: 2.614797014564358 Energy: 2.604608973193974 Energy: 2.614797014564358 Energy: 2.5903627225951005 Energy: 2.6147970145319053 Energy: 2.656878538938172 Energy: 2.7181923982606464 Energy: 3.053757063053739 Energy: 2.718192398214529 Energy: 2.6568785389211307 Energy: 2.7181923981991565 Energy: 2.7538420992978807 Energy: 2.7066910833172777 Energy: 2.7340485738063123 Energy: 2.7066910833172777 Energy: 2.7538420992927564 Energy: 2.706691083318986 Energy: 2.653455383837044 Energy: 2.619130503732367 Energy: 2.6310075996532425 Energy: 2.61913050645894 Energy: 2.6534553838404604 Energy: 2.619130504155773 Energy: 2.588292776304408 Energy: 3.1716969713796765 Energy: 2.5957378769266737 Energy: 3.1716969713796765 Energy: 2.5882936040500555 Energy: 3.1716969713984655 Energy: 2.6035908600415496 Energy: 2.6106745314257074 Energy: 2.57375484431413 Energy: 2.6106745314257074 Energy: 2.6035908623071404 Energy: 2.610674531439372 Energy: 2.7131868016346106 Energy: 2.646765307631243 Energy: 2.6598861136604146 Energy: 2.6467549030542283 Energy: 2.713178401400748 Energy: 2.6468169504206918 Energy: 2.694582161183314 Energy: 3.4866732478383122 Energy: 2.7172342182852316 Energy: 3.4863035577421395 Energy: 2.6945821612243073 Energy: 3.486725620650703 Energy: 2.6205538891585984 Energy: 3.1510399449578115 Energy: 2.660375840714762 Energy: 3.1510270166005343 Energy: 2.620553908410176 Energy: 3.1510242619379927 Energy: 2.5895181966353547 Energy: 3.242028329939724 Energy: 2.579525371310797 Energy: 3.242028330226562 Energy: 2.5895181966541045 Energy: 3.2420283301804833 Energy: 2.68189811643383 Energy: 2.609821253168811 Energy: 2.615477796830079 Energy: 2.6098212466366353 Energy: 2.6818981164816167 Energy: 2.6098212548043977 Energy: 2.669122464641263 Energy: 3.0368400094407177 Energy: 2.7034908808366787 Energy: 3.0368400094714243 Energy: 2.669122464660013 Energy: 3.0368400094253456 Energy: 2.6867534506479647 Energy: 3.5681040880244077 Energy: 2.7033426116032153 Energy: 3.5681040880090356 Energy: 2.686753450706 Energy: 3.5681040880244077 Energy: 2.6730962395933426 Energy: 2.6100362215504727 Energy: 2.6089840442042207 Energy: 2.6100362215470563 Energy: 2.6730962395813864 Energy: 2.6100362215487647 minimum gb energy = 2.57375484431413 eV minimum distance = 2.08495443872566 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 3.571083385146619 Energy: 3.6642432725947813 Energy: 3.018887955714612 Energy: 3.6643118440868796 Energy: 3.571083394467145 Energy: 3.66439795453846 Energy: 3.267696317178196 Energy: 2.8611231131035217 Energy: 2.9180632582994064 Energy: 2.861123113100223 Energy: 3.267721110450551 Energy: 2.861123113100223 Energy: 2.9665697441513896 Energy: 2.9264947984634007 Energy: 3.02389086558511 Energy: 2.926494798493712 Energy: 2.966569744154028 Energy: 2.926494798411293 Energy: 2.852356418849662 Energy: 3.3435441187349086 Energy: 2.9678322465552984 Energy: 3.3435355635309296 Energy: 2.852356418849662 Energy: 3.3435469419983654 Energy: 2.9271066034628714 Energy: 2.813583513033587 Energy: 3.298909018325883 Energy: 2.8135835163703167 Energy: 2.9271066034608926 Energy: 2.81358350881738 Energy: 2.8954702764362423 Energy: 3.387714087494402 Energy: 3.0105556561120297 Energy: 3.3877140874963803 Energy: 2.8954702764382207 Energy: 3.387714087490444 Energy: 2.901980549913801 Energy: 2.881836621299272 Energy: 3.295410177924753 Energy: 2.8818366212999313 Energy: 2.901980549914461 Energy: 2.8818366213025697 Energy: 3.4078225676690863 Energy: 3.0957111407413405 Energy: 2.910550721210081 Energy: 3.0957111407294673 Energy: 3.4078225676750225 Energy: 3.0957111407591493 Energy: 3.0199972900499286 Energy: 3.3966851369531317 Energy: 2.9084970487020696 Energy: 3.3966851369452167 Energy: 3.0200085941984067 Energy: 3.3966851369570894 Energy: 3.531992318544833 Energy: 2.833087145482397 Energy: 2.9253001402184746 Energy: 2.808954439360344 Energy: 3.532000855863324 Energy: 2.8330871454870143 Energy: 2.954211114945346 Energy: 3.5041200224379803 Energy: 2.9136411641909286 Energy: 3.504120022476896 Energy: 2.954205503937594 Energy: 3.5041200224149245 Energy: 2.9008948790338462 Energy: 3.340547987281599 Energy: 2.977305304584432 Energy: 3.3405924459212812 Energy: 2.900885651716421 Energy: 3.3405748199599214 Energy: 2.927801837800176 Energy: 3.120879686815046 Energy: 3.586923404382388 Energy: 3.1208796869284363 Energy: 2.927973504527479 Energy: 3.120879686726691 Energy: 2.879723832419397 Energy: 3.704400763868358 Energy: 3.5597817939756102 Energy: 3.704411876821845 Energy: 2.8797236703760083 Energy: 3.704411022243867 Energy: 2.8852168145634005 Energy: 3.413468831329183 Energy: 2.939991095748997 Energy: 3.415913813851619 Energy: 2.8852168145634005 Energy: 3.413460338791676 Energy: 2.9581936671441698 Energy: 3.5011655362328717 Energy: 2.9687451237155438 Energy: 3.4785812871205035 Energy: 2.9581803534600124 Energy: 3.5011655362427354 Energy: 2.9839549791251834 Energy: 3.3721991476168127 Energy: 2.8687181203158327 Energy: 3.37219914760428 Energy: 2.9721869440520505 Energy: 3.372199147609557 Energy: 3.528610494497473 Energy: 3.2720690489064927 Energy: 2.860861971982451 Energy: 3.2720690489045143 Energy: 3.5286104736681922 Energy: 3.272069048907812 Energy: 3.3914318044844998 Energy: 3.29570762017919 Energy: 2.9050420864549578 Energy: 3.2957076201686366 Energy: 3.3914318044831804 Energy: 3.295707620175892 Energy: 2.9074115248009433 Energy: 3.3756445734599105 Energy: 2.913096885751178 Energy: 3.2116059901194856 Energy: 2.907411524804241 Energy: 3.3756445734599105 Energy: 2.9046329911089948 Energy: 3.2864215254074347 Energy: 3.510645618427753 Energy: 3.286421525413371 Energy: 2.904632991103058 Energy: 3.2864215254100726 Energy: 2.851543253136217 Energy: 3.2719060389344636 Energy: 3.5427431971582437 Energy: 3.2719060389377614 Energy: 2.8610326197293836 Energy: 3.271906038933804 Energy: 2.8781998702912537 Energy: 3.372110181574953 Energy: 2.9784192174560897 Energy: 3.372110181574293 Energy: 2.8781998702919136 Energy: 3.372110181580889 Energy: 2.9687844174660527 Energy: 3.354745003009569 Energy: 2.95816899976907 Energy: 3.354745003009569 Energy: 2.9687844174686906 Energy: 3.3547450030122077 Energy: 2.9401094554571383 Energy: 3.4201250635098135 Energy: 2.848712318263007 Energy: 3.4201250635111324 Energy: 2.9401094554584573 Energy: 3.420125063513771 Energy: 3.560700674922238 Energy: 3.7020678603814825 Energy: 2.8739703891242385 Energy: 3.701965973075426 Energy: 3.5607005606108206 Energy: 3.7020711173205703 Energy: 3.586477816760175 Energy: 2.9271746813784194 Energy: 2.929576510156398 Energy: 2.927174681776634 Energy: 3.586477816758856 Energy: 2.9271746819592512 Energy: 2.97770518560314 Energy: 3.3363388249802104 Energy: 2.9008779348980465 Energy: 3.3405359550470806 Energy: 2.9777051856005317 Energy: 3.3405641920197615 Energy: 2.9135372669819497 Energy: 3.509184645473154 Energy: 2.954078221067532 Energy: 3.5091846454751328 Energy: 2.913537266979312 Energy: 3.5091846454777715 Energy: 2.9283925926651144 Energy: 2.9130948928674285 Energy: 3.530582462080047 Energy: 2.9130948937482546 Energy: 2.928392592666434 Energy: 2.9130948927375484 Energy: 2.907705435963956 Energy: 3.395466453372599 Energy: 3.0173908162594585 Energy: 3.396296268123779 Energy: 2.9076732781246477 Energy: 3.3962884262559663 Energy: 2.91093677266749 Energy: 3.094571291756226 Energy: 3.405597989707822 Energy: 3.0959612531391025 Energy: 2.910936772661554 Energy: 3.0959847513281553 Energy: 3.294230542227951 Energy: 2.8816861068287327 Energy: 2.902408805946777 Energy: 2.8816861068280732 Energy: 3.2942302412805873 Energy: 2.8816861068280732 Energy: 3.013890304720253 Energy: 3.3878593719455066 Energy: 2.8953020141571386 Energy: 3.3878593719494643 Energy: 3.013890304745946 Energy: 3.387859371948145 Energy: 3.266261885688437 Energy: 2.813823072335603 Energy: 2.9271960137614292 Energy: 2.8138230723428284 Energy: 3.2662618856871175 Energy: 2.813823072348765 Energy: 2.9698551231983474 Energy: 3.3490615023587584 Energy: 2.8529453556495032 Energy: 3.3490615023561197 Energy: 2.9698552679298245 Energy: 3.3490615023580985 Energy: 2.886266179115158 Energy: 2.9264833345243124 Energy: 2.9623226226399337 Energy: 2.926483334554654 Energy: 2.8862661791184556 Energy: 2.9264833344953205 Energy: 2.9299856209088895 Energy: 2.8611317545907213 Energy: 3.268526996758835 Energy: 2.8611317545973174 Energy: 2.9299856209102084 Energy: 2.861131754590062 Energy: 2.85913144923113 Energy: 3.6643220175755253 Energy: 3.5710833896911534 Energy: 3.664387009021463 Energy: 2.8591314783438464 Energy: 3.664403036896476 Energy: 2.9180632582987465 Energy: 2.861123113102862 Energy: 3.2677269937788895 Energy: 2.861123113102862 Energy: 2.9180632582974275 Energy: 2.861123113101543 Energy: 3.0238908655870884 Energy: 2.926494798622932 Energy: 2.966569744156007 Energy: 2.926494798587344 Energy: 3.0238908655890677 Energy: 2.926494798547109 Energy: 2.9693943233823736 Energy: 3.3435549941189033 Energy: 2.852356418849662 Energy: 3.343551399193649 Energy: 2.968027329787054 Energy: 3.3435422423791374 Energy: 3.298912038507708 Energy: 2.8135835125239614 Energy: 2.927106603462212 Energy: 2.8135835128826003 Energy: 3.2845898412113512 Energy: 2.8135835094918433 minimum gb energy = 2.808954439360344 eV minimum distance = 2.06198019699711 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 3.4723289366977297 Energy: 3.911038775443674 Energy: 3.328104287465651 Energy: 3.911038774359448 Energy: 3.4723288142362874 Energy: 3.9110387745891813 Energy: 3.1957860293452427 Energy: 3.0612614883642366 Energy: 3.0635750052010953 Energy: 3.0612613173613785 Energy: 3.1956825200720815 Energy: 3.061261350864169 Energy: 3.215855808395941 Energy: 3.150539084569732 Energy: 3.1602578642743913 Energy: 3.150539084569732 Energy: 3.215855808393793 Energy: 3.150539084568658 Energy: 3.2937096846458966 Energy: 3.188314607689371 Energy: 3.414898084953738 Energy: 3.4006527220585236 Energy: 3.2937134131535033 Energy: 3.4033406617264985 Energy: 3.1595440304563236 Energy: 3.0229656570951136 Energy: 3.422225815667181 Energy: 3.0229656570951136 Energy: 3.1504141973515796 Energy: 3.0229656570951136 Energy: 3.3698407472330683 Energy: 3.2031858333240573 Energy: 3.430702952375342 Energy: 3.203185833333723 Energy: 3.3698407472373644 Energy: 3.2031858333305014 Energy: 3.160543759665539 Energy: 3.333462660011795 Energy: 3.562899412858161 Energy: 3.3334626592249132 Energy: 3.166885937508768 Energy: 3.333462659348371 Energy: 3.5690276474413127 Energy: 3.106335372035435 Energy: 3.1016518326419114 Energy: 3.1063483243437204 Energy: 3.5690276474402385 Energy: 3.106350689842705 Energy: 3.234952877260783 Energy: 3.7427478213273844 Energy: 3.0500921499971274 Energy: 3.7427478162099916 Energy: 3.2349636521157983 Energy: 3.74274780723127 Energy: 3.408076990529453 Energy: 3.0362667225089264 Energy: 3.0366883258172725 Energy: 3.0362667225089264 Energy: 3.40807228006964 Energy: 3.036266722511075 Energy: 3.235536897320083 Energy: 3.591733055921845 Energy: 3.4077735198917836 Energy: 3.5917330559239935 Energy: 3.235536897317935 Energy: 3.591733055920771 Energy: 3.0397625885687374 Energy: 3.2471347061160767 Energy: 3.382263234301655 Energy: 3.247149259081788 Energy: 3.0397625885676636 Energy: 3.247132250181335 Energy: 3.167777076123934 Energy: 3.3861411469303273 Energy: 3.4293206961887575 Energy: 3.3861411469271054 Energy: 3.1677770761250077 Energy: 3.3861411469292526 Energy: 3.3501352201850914 Energy: 3.6909712170983293 Energy: 3.3851771616388393 Energy: 3.6910194726644225 Energy: 3.350135220186165 Energy: 3.6909566437919747 Energy: 3.180944103166088 Energy: 3.2110398480293516 Energy: 3.1771918935950647 Energy: 3.2110398480304254 Energy: 3.18094410316394 Energy: 3.2110398480293516 Energy: 3.9008498909569056 Energy: 3.535418702622316 Energy: 3.1178722444246394 Energy: 3.5354399881112086 Energy: 3.900849890954758 Energy: 3.5354366046065375 Energy: 3.501364518360656 Energy: 3.83955503555531 Energy: 3.1066056810684457 Energy: 3.8395920852913297 Energy: 3.501532582957334 Energy: 3.8395646850892198 Energy: 3.3801602860622375 Energy: 3.225210502219863 Energy: 3.0915635133064 Energy: 3.2252105022187894 Energy: 3.3801602860429054 Energy: 3.2252105022187894 Energy: 3.2252360261443376 Energy: 3.618241611566486 Energy: 3.390558303575449 Energy: 3.6182416115643377 Energy: 3.2252360261507813 Energy: 3.618241611566486 Energy: 3.131325767229923 Energy: 3.6880213283982273 Energy: 3.4316314283170146 Energy: 3.688021346610107 Energy: 3.131325766584757 Energy: 3.6880213547568887 Energy: 3.1900463123835436 Energy: 3.4402489912616314 Energy: 3.412642519573784 Energy: 3.4402490108153936 Energy: 3.190046312384618 Energy: 3.440248947694818 Energy: 3.173704347040843 Energy: 3.45320703180656 Energy: 3.3883543297307184 Energy: 3.4532070318054857 Energy: 3.1737043470419173 Energy: 3.4532070318033377 Energy: 3.17296999282846 Energy: 3.3825861122514524 Energy: 3.1358025097655906 Energy: 3.3825861122546743 Energy: 3.17296999282846 Energy: 3.3825861122589704 Energy: 3.2165377180211094 Energy: 3.771580057059897 Energy: 3.140083643796439 Energy: 3.7660217498314648 Energy: 3.216659502722721 Energy: 4.024624539196144 Energy: 3.230976325954216 Energy: 3.502145398224297 Energy: 3.0427192657638784 Energy: 3.5021453982232233 Energy: 3.2309816334818295 Energy: 3.5021453982232233 Energy: 3.2536111029849035 Energy: 3.2231159160578593 Energy: 3.0643318643734787 Energy: 3.2231159160385277 Energy: 3.253611102987051 Energy: 3.2231159160557117 Energy: 3.2331712051154256 Energy: 3.6347990475790213 Energy: 3.382725963332074 Energy: 3.6348066063703857 Energy: 3.2314402578756716 Energy: 3.6347990006178126 minimum gb energy = 3.0229656570951136 eV minimum distance = 1.95089411948652 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 3.025946236701806 Energy: 3.388200035586599 Energy: 3.562293239158566 Energy: 3.388401976210825 Energy: 3.025946229933798 Energy: 3.3913905733355034 Energy: 2.910160840331657 Energy: 2.7866940832426486 Energy: 2.8570124479566132 Energy: 2.7866940832457785 Energy: 2.9101608403340053 Energy: 2.7866940832457785 Energy: 2.8336497842025117 Energy: 2.8281754054510904 Energy: 2.892134569993342 Energy: 2.828175405451873 Energy: 2.8336497842275516 Energy: 2.8281754054510904 Energy: 2.7767079610763563 Energy: 3.341217310648788 Energy: 2.9352830802242855 Energy: 3.341220368990727 Energy: 2.7767079611655263 Energy: 3.341220835745018 Energy: 2.865343501745379 Energy: 2.7174473946535564 Energy: 2.9162960239781626 Energy: 2.717447394658252 Energy: 2.8653435017422493 Energy: 2.717447394654339 Energy: 2.8607193899902073 Energy: 2.8694475836596665 Energy: 2.919581189361639 Energy: 2.8694475835830167 Energy: 2.8607193899831653 Energy: 2.869447583616629 Energy: 2.9251060929864967 Energy: 2.867744519187462 Energy: 2.737815735655828 Energy: 2.8677445192023296 Energy: 2.9251060929927566 Energy: 2.8677445191991993 Energy: 2.9337362821954986 Energy: 2.7248456924796156 Energy: 2.876939636675874 Energy: 2.724845692482746 Energy: 2.9337331527955612 Energy: 2.724845692507786 Energy: 2.9351373847042592 Energy: 3.3460910071514327 Energy: 2.8215688478206458 Energy: 3.3460898826969125 Energy: 2.9351373846651696 Energy: 3.34609147685679 Energy: 3.1791199552900107 Energy: 2.824585208713827 Energy: 2.838079166757776 Energy: 2.82458520871461 Energy: 3.179119955291575 Energy: 2.824585208713827 Energy: 2.8772446064759047 Energy: 2.792151887130848 Energy: 3.5107286426113826 Energy: 2.792160019555479 Energy: 2.877244606443858 Energy: 2.792155299766438 Energy: 2.838578846474999 Energy: 3.4239771785469744 Energy: 3.0283727054516865 Energy: 3.4239771785587116 Energy: 2.8062019455449625 Energy: 3.423977178553234 Energy: 2.8885498861825782 Energy: 2.788335889348371 Energy: 2.886196415133181 Energy: 2.7883358893522834 Energy: 2.888549886210748 Energy: 2.7883358893530654 Energy: 2.9422511999084335 Energy: 3.141179683128177 Energy: 2.841356238492508 Energy: 3.1411828430947657 Energy: 2.942464936297053 Energy: 3.1411796729492396 Energy: 2.937719592787487 Energy: 3.370718648609265 Energy: 2.8504534059769924 Energy: 3.357779543129876 Energy: 2.9378053561219932 Energy: 3.3588125952694217 Energy: 2.929649810965911 Energy: 2.928345170131767 Energy: 2.8755847778867807 Energy: 2.9283436676772876 Energy: 2.929752023821974 Energy: 2.928343825409049 Energy: 2.9215269640687747 Energy: 2.984526336627228 Energy: 2.881639949008181 Energy: 2.984526336546666 Energy: 2.92152696409225 Energy: 2.984526336692923 Energy: 2.8371692035811873 Energy: 2.8584845490320876 Energy: 2.9407928844667524 Energy: 2.858484549041478 Energy: 2.8371692035968374 Energy: 2.858484549067265 Energy: 2.867545647556067 Energy: 2.8603807787078788 Energy: 2.9926817092536426 Energy: 2.859942838886074 Energy: 2.867545647546677 Energy: 2.859592222563787 Energy: 2.8741832637375606 Energy: 3.5051008824831964 Energy: 2.9340643029752953 Energy: 3.5048801415299886 Energy: 2.8879073317402018 Energy: 3.50510739796848 Energy: 2.854166298961508 Energy: 2.819074487321602 Energy: 2.784690329399408 Energy: 2.819091979402126 Energy: 2.8542748923442693 Energy: 2.819073417538193 Energy: 3.6492395774290163 Energy: 2.952623105551321 Energy: 2.893369413932545 Energy: 2.9526231056569228 Energy: 3.649394323019254 Energy: 2.9526231056185805 Energy: 3.3318244938448838 Energy: 3.5287894921169722 Energy: 2.799694108071953 Energy: 3.528789492224886 Energy: 3.331824197800694 Energy: 3.5287894920934972 Energy: 2.8737127856487943 Energy: 3.3370491263488935 Energy: 2.7917698880127797 Energy: 3.3370491263379387 Energy: 2.8737127856370566 Energy: 3.337049126335591 Energy: 2.873671903521892 Energy: 3.250925818791187 Energy: 2.9524386585982327 Energy: 3.2509258188021417 Energy: 2.8736599245165073 Energy: 3.2509258188397014 Energy: 2.8069521554595855 Energy: 3.383524026346984 Energy: 2.954550442736613 Energy: 3.3835238276819046 Energy: 2.8069521554619334 Energy: 3.3835246389763065 Energy: 2.8318613399133996 Energy: 3.193704781566221 Energy: 2.8956621509853484 Energy: 3.19370525732541 Energy: 2.831861339867268 Energy: 3.1937053743999693 Energy: 2.8667600580873933 Energy: 3.5238529393156646 Energy: 2.865978797661259 Energy: 3.5238529393273663 Energy: 2.866764618505259 Energy: 3.523852939324236 Energy: 2.8948025890638514 Energy: 3.193810524112801 Energy: 2.8053611568586123 Energy: 3.193810524122191 Energy: 2.894802582015067 Energy: 3.193810524120626 Energy: 2.960011685279824 Energy: 2.9493556350445282 Energy: 2.8067934863409123 Energy: 2.9495473588583274 Energy: 2.96001282562459 Energy: 2.9496330792736307 Energy: 2.9482309885135423 Energy: 3.26045077972509 Energy: 2.8540371662613477 Energy: 3.2546340632470074 Energy: 2.94823103905329 Energy: 3.2543042908501603 Energy: 2.7889476182716524 Energy: 3.3375075807852714 Energy: 2.8738604955611073 Energy: 3.3375075807821766 Energy: 2.788947618266958 Energy: 3.3375075807962262 Energy: 2.82613328364935 Energy: 3.530124052539405 Energy: 3.6170208769760372 Energy: 3.53011864453118 Energy: 2.826133284535534 Energy: 3.53012050019839 Energy: 2.876759049336869 Energy: 3.1557419965993505 Energy: 3.6501718354591848 Energy: 3.155741996600915 Energy: 2.8911561341963505 Energy: 3.155741996601698 Energy: 2.8284076755750203 Energy: 2.818916558278207 Energy: 2.8622340490180656 Energy: 2.818930418948847 Energy: 2.82840247005351 Energy: 2.8189163803042763 Energy: 2.9341294146264096 Energy: 3.5047353544981275 Energy: 2.8864189026322538 Energy: 3.5047083187706893 Energy: 2.9341437382453184 Energy: 3.5047140269739607 minimum gb energy = 2.7174473946535564 eV minimum distance = 1.97433729703969 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 2.556536106756151 Energy: 2.575177908522992 Energy: 3.7186354620224202 Energy: 2.575182125472302 Energy: 2.5565458638338825 Energy: 2.5751820919566275 Energy: 2.5645992206781134 Energy: 2.96180811538325 Energy: 2.6922775057950283 Energy: 2.928549374393773 Energy: 2.5645778941400086 Energy: 2.911653233966536 Energy: 2.691422456933827 Energy: 2.949812025480594 Energy: 2.6990661995836938 Energy: 2.9634171106587988 Energy: 2.691422456856526 Energy: 2.933125377042453 Energy: 2.8620431982347547 Energy: 2.5751820832193677 Energy: 2.5565229828605207 Energy: 2.5751820699566697 Energy: 2.862049708323458 Energy: 2.5751833325998996 Energy: 2.692277505623437 Energy: 2.9616393791844047 Energy: 2.5645859657060006 Energy: 2.9618078641025996 Energy: 2.6922775053889527 Energy: 2.9618081355577823 Energy: 2.8553051251952737 Energy: 2.9498114652793217 Energy: 2.691422456781806 Energy: 2.963416899210479 Energy: 2.855305125518003 Energy: 2.930168552375005 Energy: 2.556531445210232 Energy: 2.5751779076335404 Energy: 2.772341934857687 Energy: 2.5751820832857555 Energy: 2.5565305896731774 Energy: 2.575182098252897 Energy: 2.564583556301847 Energy: 2.9618081065341877 Energy: 2.6922775056421253 Energy: 2.7853314139516874 Energy: 2.564589507773882 Energy: 2.9465685449980734 Energy: 2.6914224568027816 Energy: 2.78544639579695 Energy: 2.8553051256780946 Energy: 2.963244772480937 Energy: 2.6914224567148297 Energy: 2.949811909273009 Energy: 2.772714012569449 Energy: 2.5751779071699965 Energy: 2.556536664338797 Energy: 2.5751821147193366 Energy: 2.7547672545121165 Energy: 2.5751821167232474 minimum gb energy = 2.5565229828605207 eV minimum distance = 2.0997286151972 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 3.5916786029663825 Energy: 3.23229038049529 Energy: 3.3466682274039106 Energy: 3.23229038049615 Energy: 3.5916785946020298 Energy: 3.23229038049529 Energy: 3.3089874854249235 Energy: 3.007627965764116 Energy: 2.8082120277411464 Energy: 3.0076279658561376 Energy: 3.3089874854601993 Energy: 3.007627965768418 Energy: 2.7239292123702303 Energy: 2.888493871100141 Energy: 3.064809862453259 Energy: 2.888493885491385 Energy: 2.723929212372812 Energy: 2.888493883064445 Energy: 3.0665175398843925 Energy: 3.1253670968655984 Energy: 3.021289416092187 Energy: 3.1253670968699 Energy: 3.0665175398835323 Energy: 3.1253670968716207 Energy: 2.890857239321248 Energy: 2.8868007234185464 Energy: 3.1906988641361735 Energy: 2.8868007232732196 Energy: 2.890857238673694 Energy: 2.8868007233806896 Energy: 3.0413144891403663 Energy: 2.6482909441289224 Energy: 2.785552710540939 Energy: 2.648290944128062 Energy: 3.0413212672389354 Energy: 2.648290944128062 Energy: 2.897700331028853 Energy: 3.0552619473893534 Energy: 2.8187709195177115 Energy: 3.0552619474005382 Energy: 2.9089218914987267 Energy: 3.055261947393655 Energy: 2.923027776096166 Energy: 3.3646985644986636 Energy: 3.0001395303444287 Energy: 3.3646985640050397 Energy: 2.9230277760978867 Energy: 3.3646985617329292 Energy: 2.693046948352704 Energy: 2.6873067565536584 Energy: 3.1973960237877135 Energy: 2.6873067565510773 Energy: 2.6930469401646517 Energy: 2.6873067565536584 Energy: 2.6882949499384896 Energy: 2.8372565577188733 Energy: 2.8466779944881413 Energy: 2.8372565577334607 Energy: 2.6882949499384896 Energy: 2.8372565577377626 Energy: 3.255326405797306 Energy: 2.8949335842328243 Energy: 2.8664809063455987 Energy: 2.8949189501522468 Energy: 3.2553264364012615 Energy: 2.8948732304345004 Energy: 3.2952006402556058 Energy: 3.0735535258163593 Energy: 2.817937219792861 Energy: 3.073553525815499 Energy: 3.295200639784351 Energy: 3.0735535258163593 Energy: 2.7455337254290475 Energy: 2.941722886839769 Energy: 2.7892276355789263 Energy: 2.941722886838909 Energy: 2.745178080221373 Energy: 2.941722886837188 Energy: 2.7494363917306615 Energy: 3.0881654897631314 Energy: 3.0293798780975716 Energy: 3.0881654916723567 Energy: 2.7494363917306615 Energy: 3.0881654900839366 Energy: 2.900872425153555 Energy: 3.053791427658146 Energy: 3.0436323209319505 Energy: 3.0537914276564257 Energy: 2.9008724236657613 Energy: 3.0537914276409777 Energy: 2.9335114349244065 Energy: 2.9167931383212937 Energy: 2.8259441675512846 Energy: 2.9167931383359202 Energy: 2.933518667886033 Energy: 2.916793138351407 Energy: 2.917065988508575 Energy: 2.7580376633108297 Energy: 2.848419624266022 Energy: 2.757988059502894 Energy: 2.9170659885077144 Energy: 2.758035582916787 Energy: 2.9283744079968956 Energy: 2.9552485048324133 Energy: 3.0178695094137056 Energy: 2.955248504836715 Energy: 2.9283727524923404 Energy: 2.9552485048289716 Energy: 2.741056845637244 Energy: 3.023913887955065 Energy: 3.006316095693971 Energy: 3.0239138886705894 Energy: 2.741056845635523 Energy: 3.0239138884168937 Energy: 2.726297381536761 Energy: 2.875823533603781 Energy: 2.8721608149663327 Energy: 2.875823472329699 Energy: 2.7262973815376217 Energy: 2.875823482093266 Energy: 3.3214821969626405 Energy: 2.928449544307944 Energy: 2.878010401788501 Energy: 2.928449367507582 Energy: 3.3214821969600594 Energy: 2.9284494425880836 Energy: 3.2884831293116843 Energy: 2.911237774353759 Energy: 2.832346505501822 Energy: 2.9088050259254534 Energy: 3.2884568429639005 Energy: 2.910512663240765 Energy: 2.773019428195406 Energy: 2.841045878326888 Energy: 2.8105938444108953 Energy: 2.8410458783277477 Energy: 2.7730193882828686 Energy: 2.8410458783157027 Energy: 2.7647521216422115 Energy: 3.0570908758637523 Energy: 3.335114089467123 Energy: 3.0570908783079 Energy: 2.7648189460489476 Energy: 3.057090878332812 Energy: 2.948589328020435 Energy: 2.954641214583307 Energy: 3.0376444456400624 Energy: 2.954641214529103 Energy: 2.9485928954073484 Energy: 2.954641214526522 Energy: 2.8962115488161033 Energy: 3.1186438902149445 Energy: 2.6837152076837256 Energy: 3.118643890207201 Energy: 2.8962116782674974 Energy: 3.1186438902261293 Energy: 2.8967302810933866 Energy: 2.7401665222228875 Energy: 2.7976020120747656 Energy: 2.8536059741833637 Energy: 2.896730281091666 Energy: 2.8536061060066324 Energy: 2.9088696952979256 Energy: 2.8202641018717527 Energy: 3.268629961276976 Energy: 2.820264100480281 Energy: 2.9088564207118894 Energy: 2.820264099001951 Energy: 2.805586353887655 Energy: 3.127996545633747 Energy: 2.9863783045324563 Energy: 3.127996545626903 Energy: 2.8055917191347888 Energy: 3.1279965456371888 Energy: 2.698601040860724 Energy: 2.6781275896760874 Energy: 3.0601771620447114 Energy: 2.6781275896769476 Energy: 2.6798478655641618 Energy: 2.6781275896769476 Energy: 3.47150600065943 Energy: 2.869250442249513 Energy: 2.841506716520029 Energy: 2.8692504422486524 Energy: 3.4708405148505577 Energy: 2.8692504422477922 Energy: 3.28826747657332 Energy: 3.2859943414214263 Energy: 2.826198255786054 Energy: 3.2859943414214263 Energy: 3.2882733006213978 Energy: 3.2859943414214263 Energy: 3.135249525607854 Energy: 2.824414141768078 Energy: 2.783584791984485 Energy: 2.8244206750222545 Energy: 3.138544283118811 Energy: 2.8244108728163964 minimum gb energy = 2.648290944128062 eV minimum distance = 2.00847368079515 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 3.2611501629937543 Energy: 3.45391527390972 Energy: 3.661990752737272 Energy: 3.453915273910946 Energy: 3.2611501629974318 Energy: 3.4539152739121723 Energy: 3.595650661286353 Energy: 3.069765691689196 Energy: 3.0967091128724307 Energy: 3.0697656916855176 Energy: 3.595509739247573 Energy: 3.0697656917002294 Energy: 3.0435829476646683 Energy: 2.9253807652593165 Energy: 3.250089422242402 Energy: 2.9253807652605417 Energy: 3.0435829476646683 Energy: 2.925380765261768 Energy: 3.481812195215458 Energy: 3.5171034962948653 Energy: 3.22204826119748 Energy: 3.517103494886867 Energy: 3.4818121952166843 Energy: 3.5171034969161417 Energy: 3.1341536854944105 Energy: 3.5367391809099096 Energy: 3.5633337629293838 Energy: 3.536739180906231 Energy: 3.134153684212628 Energy: 3.5367391809111353 Energy: 3.149171738643449 Energy: 2.940391699005556 Energy: 3.0593638194012827 Energy: 2.9367729935542672 Energy: 3.149171738648353 Energy: 2.936967040449589 Energy: 3.0923331380698174 Energy: 3.0556637232035837 Energy: 2.9098908410138824 Energy: 3.055663723206036 Energy: 3.0923349492270966 Energy: 3.0556637232097135 Energy: 3.1242377738479994 Energy: 3.3306356173126472 Energy: 3.510515762285442 Energy: 3.3306356173150986 Energy: 3.1242304743859375 Energy: 3.3306356173138734 Energy: 3.0457378185987816 Energy: 3.031414459103372 Energy: 3.550701521129688 Energy: 3.031414459103372 Energy: 3.045744215576993 Energy: 3.031414459104598 Energy: 3.0678593992555 Energy: 2.983617426335204 Energy: 2.993755698346273 Energy: 2.9836174267089506 Energy: 3.0678593992555 Energy: 2.9836174267432214 Energy: 3.1525002746757287 Energy: 3.006874379519229 Energy: 3.0283977469785595 Energy: 3.0060212074371715 Energy: 3.152500274673277 Energy: 3.0068735491318166 Energy: 3.1785285113531545 Energy: 3.019629320788202 Energy: 3.1440094917203147 Energy: 3.0196293207906533 Energy: 3.178528971813804 Energy: 3.019629320789427 Energy: 2.960632352215175 Energy: 3.286804351264171 Energy: 3.131490703802422 Energy: 3.286804351264171 Energy: 2.960632352215175 Energy: 3.2868043512666234 Energy: 2.947423526569864 Energy: 3.077104552580247 Energy: 3.0845202469302238 Energy: 3.0771045525900544 Energy: 2.9474235269436098 Energy: 3.0771045525937324 Energy: 3.662195881115433 Energy: 3.211311778041981 Energy: 3.1071650607725836 Energy: 3.211311778044433 Energy: 3.6621958811264665 Energy: 3.211311778044433 Energy: 3.574408631374999 Energy: 3.2327683058806707 Energy: 3.085415034992442 Energy: 3.2327704335175347 Energy: 3.5744086313786774 Energy: 3.2327682909650868 Energy: 3.033607653576689 Energy: 3.1767751607863586 Energy: 3.0699440304425885 Energy: 3.1767460377929257 Energy: 3.033607653200491 Energy: 3.176752622304158 Energy: 3.05760397098159 Energy: 3.5016638132060125 Energy: 3.1624096624335487 Energy: 2.972879204679734 Energy: 3.0576039709828158 Energy: 3.5003632745455944 Energy: 3.590072852934731 Energy: 3.2961284210641733 Energy: 3.1661516586767005 Energy: 3.2961419038164252 Energy: 3.590072839440631 Energy: 3.296151062399234 Energy: 3.1377390644971035 Energy: 3.3905984382705654 Energy: 3.469619122115342 Energy: 3.390598438268113 Energy: 3.1377545052600357 Energy: 3.3905984382668874 Energy: 3.428215769064698 Energy: 3.0317493739617185 Energy: 2.9096602216959297 Energy: 3.0317493739592667 Energy: 3.4282157690634723 Energy: 3.031749373960493 Energy: 3.132441949612952 Energy: 3.130630573156113 Energy: 3.5146153824291058 Energy: 3.130630573156113 Energy: 3.132441949612952 Energy: 3.130630573156113 Energy: 3.422478195684767 Energy: 3.5402077674678587 Energy: 3.0751951135334346 Energy: 3.5402077674678587 Energy: 3.422478195684767 Energy: 3.5402077674666326 minimum gb energy = 2.9096602216959297 eV minimum distance = 2.08105905245302 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 3.248885412997826 Energy: 3.478398074540451 Energy: 3.435236826114434 Energy: 3.7402473440820345 Energy: 3.2488851651267683 Energy: 3.739384962437053 Energy: 3.4418183108157057 Energy: 3.2444877638412346 Energy: 2.752992987515256 Energy: 3.2444876183165214 Energy: 3.4418183107076388 Energy: 3.244487657539565 Energy: 2.7705893506559116 Energy: 2.658571984316223 Energy: 3.3360983343437143 Energy: 2.6585719821846787 Energy: 2.7705893362535536 Energy: 2.6585719824132212 Energy: 2.6671691931151535 Energy: 3.0806539828967288 Energy: 2.8069713610534097 Energy: 3.0806558734133835 Energy: 2.6671691931198196 Energy: 3.080655880148515 Energy: 3.145440336581193 Energy: 3.1537567485861078 Energy: 3.1214649201047355 Energy: 3.153755720120672 Energy: 3.1454403365959696 Energy: 3.153753715863736 Energy: 3.1294432991529266 Energy: 2.807896130095822 Energy: 2.7786866621888673 Energy: 2.8078961300942664 Energy: 3.129443299142039 Energy: 2.6839491701175957 Energy: 2.7772763355872057 Energy: 2.688331624215354 Energy: 2.6879877670884924 Energy: 2.688331570246379 Energy: 2.777276311961341 Energy: 2.688331494729385 Energy: 2.6967308123721083 Energy: 2.7643751627311524 Energy: 3.1249098325824542 Energy: 2.7643752157113677 Energy: 2.696730812386072 Energy: 2.7643752239266353 Energy: 3.0856311717765377 Energy: 3.022537772594877 Energy: 3.1439842142660144 Energy: 3.022537780614232 Energy: 3.0856311717765377 Energy: 3.0225377790229526 Energy: 2.7928868863311953 Energy: 2.8070797679868966 Energy: 2.8038869546697156 Energy: 2.883992856893323 Energy: 2.79288688384282 Energy: 2.807079764837002 Energy: 2.737160309533149 Energy: 3.0278356950826493 Energy: 2.7061239644242083 Energy: 3.0278356950810936 Energy: 2.7375676855062063 Energy: 3.0278356950873153 Energy: 2.7707698226332713 Energy: 2.807687401790929 Energy: 3.4522522264696938 Energy: 2.807687401800262 Energy: 2.7707698226651227 Energy: 2.807687401796373 Energy: 3.0330879742829326 Energy: 3.193340191127195 Energy: 3.1906958333315236 Energy: 3.1933401939125163 Energy: 3.033087974305486 Energy: 3.1933401899471514 Energy: 2.7370700747024013 Energy: 3.3264663629277265 Energy: 2.6835709671953203 Energy: 3.3231363402901337 Energy: 2.7370806489663146 Energy: 3.326476762003259 Energy: 3.1909979973145193 Energy: 2.6495102962692645 Energy: 2.7674073148000327 Energy: 2.6495102963260377 Energy: 3.191215113536232 Energy: 2.649510296255301 Energy: 2.814111208163136 Energy: 3.088875226668032 Energy: 3.392920821166237 Energy: 3.088875226661033 Energy: 2.8142157063987936 Energy: 3.0888752266641437 Energy: 3.4214092971820267 Energy: 3.403962922807215 Energy: 3.190844507398621 Energy: 3.403962922797105 Energy: 3.4214092971742494 Energy: 3.40396292279866 Energy: 2.7559243962402555 Energy: 2.6822350956893324 Energy: 3.4034323754794196 Energy: 2.6822350956908876 Energy: 2.7591049830386005 Energy: 2.6822350956908876 Energy: 2.89315687431835 Energy: 2.6888695445213595 Energy: 2.752901738029057 Energy: 2.688869544522137 Energy: 2.8890967276881896 Energy: 2.688869544522915 Energy: 3.135274493463163 Energy: 3.138623525027175 Energy: 2.7007094959210964 Energy: 3.1379898019097276 Energy: 3.1352758797829665 Energy: 3.138619679688967 Energy: 3.4015640827398426 Energy: 3.0198451898522767 Energy: 2.8263469611643215 Energy: 3.0198451269015223 Energy: 3.3984946054220653 Energy: 3.019845198984826 Energy: 2.7771587954940204 Energy: 3.0894283054556904 Energy: 3.071053876970197 Energy: 3.0894313428407214 Energy: 2.7771587954909096 Energy: 3.089438494319892 Energy: 2.717197570385328 Energy: 2.878289232887232 Energy: 2.738628980595887 Energy: 2.878289232767534 Energy: 2.717197717424326 Energy: 2.878289232782275 Energy: 3.208481587874073 Energy: 2.9825785234357323 Energy: 2.7728456526774083 Energy: 2.9825785234326214 Energy: 3.2084815921161995 Energy: 2.982578523434954 Energy: 3.4401367931470896 Energy: 2.80621558722033 Energy: 2.788057809308002 Energy: 2.806215587235884 Energy: 3.4401368202991223 Energy: 2.80621558722033 Energy: 2.7178576701647805 Energy: 3.1850778403510467 Energy: 2.730459386942822 Energy: 3.1850779825416184 Energy: 2.7178454478090264 Energy: 3.1850778249839666 Energy: 2.7859328255882168 Energy: 2.696095710934027 Energy: 3.0709047702264862 Energy: 2.696095710941026 Energy: 2.7859328255889944 Energy: 2.696095710941026 Energy: 3.164817855894519 Energy: 2.9683485973020804 Energy: 2.830729615121153 Energy: 2.9683485972974144 Energy: 3.1648178559318136 Energy: 2.968348597312191 Energy: 3.135894121091831 Energy: 3.1268049527757205 Energy: 2.694096962832711 Energy: 3.126804952744612 Energy: 3.135894121092609 Energy: 3.126804952725947 Energy: 2.677972534587298 Energy: 2.699177311684687 Energy: 2.7518468183345015 Energy: 2.6991921208501335 Energy: 2.6779725345927416 Energy: 2.690430044213473 Energy: 2.7658300296358944 Energy: 2.927430769621127 Energy: 3.409032295858085 Energy: 2.9274307696226822 Energy: 2.765830029635117 Energy: 2.9274307695939425 Energy: 3.078921215464726 Energy: 3.159692627395634 Energy: 3.1751711006779715 Energy: 3.1596926274057444 Energy: 3.0789212153714347 Energy: 3.159692627080801 Energy: 2.802944324924009 Energy: 3.104453825263544 Energy: 3.2810057047363266 Energy: 3.1042705631270247 Energy: 2.802575993529968 Energy: 3.104317346889634 Energy: 3.317879759054331 Energy: 2.6527903313286667 Energy: 2.7594608299091705 Energy: 2.6527903313512207 Energy: 3.3178797590519977 Energy: 2.6527903313379992 Energy: 2.740020613334042 Energy: 3.039913725758172 Energy: 3.2749090536706187 Energy: 3.0399137257597277 Energy: 2.74003451639232 Energy: 3.0399137257605053 Energy: 3.033735860543791 Energy: 3.197807510520865 Energy: 3.1975545550596167 Energy: 3.197807510520865 Energy: 3.033735859670804 Energy: 3.197807510520087 Energy: 2.7696565393349215 Energy: 3.1786146817273746 Energy: 3.446617359818999 Energy: 3.1786146817740377 Energy: 2.769656469206691 Energy: 3.1786146817740377 minimum gb energy = 2.649510296255301 eV minimum distance = 2.04041206807722 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 2.6399724905891184 Energy: 2.5394334332027557 Energy: 4.090375494539176 Energy: 2.539433433204879 Energy: 2.63997249006488 Energy: 2.539433433204879 Energy: 3.469153291799459 Energy: 2.7093669890926355 Energy: 2.5983566070927577 Energy: 2.70755784666888 Energy: 3.4691532923873996 Energy: 2.709373018064287 Energy: 2.840760702985917 Energy: 2.6399576545016914 Energy: 2.5747821983670196 Energy: 2.6399576544953214 Energy: 2.8407607029837934 Energy: 2.6399576544953214 Energy: 3.6852439046265366 Energy: 2.7072662737416717 Energy: 2.5883422310293165 Energy: 2.701666876759978 Energy: 3.6852439046265366 Energy: 2.7072996874400244 Energy: 2.649777531961243 Energy: 2.624361100229559 Energy: 2.6354096572074748 Energy: 2.6243611002189415 Energy: 2.6497720088478025 Energy: 2.624361100242299 Energy: 2.6516431392898863 Energy: 2.6208870416058145 Energy: 2.6328874494241674 Energy: 2.6208870416058145 Energy: 2.651643139287763 Energy: 2.6208870416036913 Energy: 3.6161792164689524 Energy: 2.687650741361276 Energy: 2.586200301642967 Energy: 2.68765072971534 Energy: 3.6161792164753224 Energy: 2.6876507454767165 Energy: 2.83877857319896 Energy: 2.628509655604264 Energy: 2.587902503657624 Energy: 2.6285096556063876 Energy: 2.8380269277767116 Energy: 2.628509655604264 Energy: 3.4455347977092003 Energy: 2.6214452422189183 Energy: 2.613136683285748 Energy: 2.6214452422189183 Energy: 3.4455347512782915 Energy: 2.621445242210425 Energy: 2.6383056900736896 Energy: 3.0286070436332606 Energy: 2.6457504735532233 Energy: 3.028607066065494 Energy: 2.6383056900715665 Energy: 3.028616809990385 Energy: 3.467250768493789 Energy: 2.6478427006637584 Energy: 2.59114504621082 Energy: 2.647836132553787 Energy: 3.467250768495912 Energy: 2.647832748143693 Energy: 2.9158483795390056 Energy: 2.728967984722961 Energy: 3.5703858967243196 Energy: 2.728967984720838 Energy: 2.9158483790847907 Energy: 2.728967984722961 Energy: 3.5463805911321185 Energy: 2.647863160482553 Energy: 2.5910650770757413 Energy: 2.642559226513856 Energy: 3.5463806349884535 Energy: 2.6474970266195976 Energy: 2.639464177975419 Energy: 3.028577246091905 Energy: 2.6457138321818703 Energy: 3.0285772460897813 Energy: 2.6394641780178385 Energy: 3.028577246091905 minimum gb energy = 2.5394334332027557 eV minimum distance = 2.08886637652184 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 3.339788742616116 Energy: 2.723673183631774 Energy: 3.2151197827748033 Energy: 2.7236719235287548 Energy: 3.339788677727313 Energy: 2.7236756329667817 Energy: 3.098153149203715 Energy: 2.9998680151142816 Energy: 2.7813679898724395 Energy: 2.999868014690979 Energy: 3.0981531383068557 Energy: 2.9998680143450565 Energy: 2.7847994874917026 Energy: 2.8236658212415664 Energy: 2.7483091790238445 Energy: 2.82366582538604 Energy: 2.784799487200795 Energy: 2.823665565124036 Energy: 2.7393749885874428 Energy: 2.685659389996025 Energy: 2.7989545200504216 Energy: 2.685659367175755 Energy: 2.7393730396517264 Energy: 2.6856594232096516 Energy: 3.0552231760636883 Energy: 2.9891152644309975 Energy: 2.709104978374973 Energy: 2.9891171962965086 Energy: 3.055223168853508 Energy: 2.9891125399558294 Energy: 2.851373006293528 Energy: 3.0149350266144146 Energy: 3.0849676178023797 Energy: 3.014759997685223 Energy: 2.851373003698698 Energy: 3.0149660007694994 Energy: 2.707300824881858 Energy: 3.2848139732255284 Energy: 2.835198665507426 Energy: 3.2847687664652114 Energy: 2.707299758186556 Energy: 3.2806516135464188 Energy: 2.772498009487292 Energy: 2.699218120212892 Energy: 2.7496195922077376 Energy: 2.69921813464911 Energy: 2.772497019963186 Energy: 2.699221853409167 Energy: 3.0968631307668284 Energy: 2.680903828109316 Energy: 2.80345244330996 Energy: 2.6814644011778985 Energy: 3.158506676602505 Energy: 2.681197920669271 Energy: 2.8209320365596007 Energy: 3.2187030735183217 Energy: 2.685706186385915 Energy: 3.2187030743751883 Energy: 2.819266757292956 Energy: 3.2187030741719216 Energy: 2.9098256910256755 Energy: 2.7439912891143514 Energy: 3.1455117331645717 Energy: 2.743991290967941 Energy: 2.9098208682625235 Energy: 2.743990302734265 Energy: 2.787378167886797 Energy: 3.008973554667312 Energy: 3.135928005129762 Energy: 3.0089757267008714 Energy: 2.7873781672471893 Energy: 3.008973429429498 Energy: 2.756870028638457 Energy: 2.9664139939950918 Energy: 3.0949786084048125 Energy: 2.966390145105236 Energy: 2.7568615711180757 Energy: 2.9663902853750552 Energy: 2.687326479903379 Energy: 2.6953882592806284 Energy: 2.6926069184108727 Energy: 2.6953882638940914 Energy: 2.6873264783891604 Energy: 2.6953882630185904 Energy: 2.811719478774684 Energy: 2.9983120234310654 Energy: 3.112737720651859 Energy: 2.9983120252660203 Energy: 2.8117194788315634 Energy: 2.9983120150908347 Energy: 3.148434004899438 Energy: 3.338226180595057 Energy: 2.85669290491443 Energy: 3.338226661414134 Energy: 3.1482239585653162 Energy: 3.3382264234800902 Energy: 2.8403455968795654 Energy: 3.2859061672502468 Energy: 3.122048423972308 Energy: 3.2860240882629648 Energy: 2.840344990499119 Energy: 3.2859666295922194 Energy: 3.1269949900438956 Energy: 3.0806836210006145 Energy: 2.836257414841024 Energy: 3.0806836229716956 Energy: 3.12699498976698 Energy: 3.080683628269541 Energy: 2.6993590893091666 Energy: 2.98115434627047 Energy: 2.686101615845729 Energy: 2.981663754911222 Energy: 2.6993590826966596 Energy: 2.8207213496576835 Energy: 2.8056434869354607 Energy: 2.958979527128094 Energy: 2.7487609874559893 Energy: 2.9630411637459706 Energy: 2.8056434777430277 Energy: 2.963037616424609 Energy: 3.139750981746831 Energy: 3.0082913006739243 Energy: 2.7796962245243746 Energy: 3.0082912916334745 Energy: 3.1368151464291953 Energy: 3.008291307416048 Energy: 3.157941092435606 Energy: 2.752389745800232 Energy: 3.0773072815447167 Energy: 2.752389744872515 Energy: 3.1603803816680647 Energy: 2.7523897457657394 Energy: 2.9062918351739224 Energy: 3.0092651152218175 Energy: 2.8228561888268087 Energy: 3.009282033311495 Energy: 2.906263427327875 Energy: 3.009250324048228 Energy: 2.7981810826257485 Energy: 2.6788861821102405 Energy: 3.0648262875761647 Energy: 2.6788861814127993 Energy: 2.7981825629828267 Energy: 2.678886191997317 Energy: 2.743691812392142 Energy: 2.7487390624006176 Energy: 2.779981889003276 Energy: 2.748739062459363 Energy: 2.7436914116943636 Energy: 2.7487390596015873 Energy: 2.824581293604385 Energy: 2.9914529695410845 Energy: 2.7067255788249014 Energy: 2.9913278359885376 Energy: 2.824650707743967 Energy: 2.9879297602948207 Energy: 3.0792984164124273 Energy: 3.016498258945907 Energy: 3.075874380973188 Energy: 3.016498261687145 Energy: 3.07929138111173 Energy: 3.016498258353851 Energy: 2.7152411935498884 Energy: 2.989201999909089 Energy: 2.812362393796829 Energy: 2.9891767480776394 Energy: 2.7152412007218443 Energy: 2.989183566275759 Energy: 2.7855043312751806 Energy: 2.732327196037907 Energy: 2.7520082510771857 Energy: 2.7323224383183615 Energy: 2.7708468666693444 Energy: 2.732322277174167 Energy: 2.7513072220978114 Energy: 2.9844178830869663 Energy: 2.78356536776839 Energy: 2.984417886121911 Energy: 2.7513070514022018 Energy: 2.9844178870831874 Energy: 2.7826784219027476 Energy: 2.9972560189565884 Energy: 3.1114667604429758 Energy: 2.997277246052677 Energy: 2.813377289569534 Energy: 2.9972669019642226 minimum gb energy = 2.6788861814127993 eV minimum distance = 2.06986573762115 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 3.0376203956546566 Energy: 3.0539332263480667 Energy: 3.1716191558093825 Energy: 3.053874075425429 Energy: 3.0376167717173277 Energy: 3.0561483483345118 Energy: 2.912865129643163 Energy: 2.9234167196485172 Energy: 2.877905950365512 Energy: 2.8739274993141017 Energy: 2.912865112687756 Energy: 2.923419952178469 Energy: 3.0402530672288903 Energy: 2.9461315073699703 Energy: 2.84288410600953 Energy: 2.94613150738325 Energy: 3.04025306723387 Energy: 2.9461315073633307 Energy: 2.928668161827311 Energy: 3.29751861221209 Energy: 2.928229822764392 Energy: 2.840892713952596 Energy: 2.928668161833951 Energy: 3.1906391999879897 Energy: 2.843834288348243 Energy: 2.946890510647889 Energy: 3.08134086061508 Energy: 2.946890510649549 Energy: 2.8438342883399805 Energy: 2.9468905106528687 Energy: 2.8772387804762904 Energy: 2.874957285639129 Energy: 2.913739037804567 Energy: 2.874957285602648 Energy: 2.8766818593006382 Energy: 2.8749572855910284 Energy: 3.077106256847111 Energy: 3.056207836244376 Energy: 3.037620613989045 Energy: 3.0540432430355815 Energy: 3.07710625705449 Energy: 3.05620935295062 Energy: 2.87831828192127 Energy: 3.168621774752736 Energy: 2.912864998048536 Energy: 3.168622026629507 Energy: 2.8790174354854465 Energy: 2.8739274993141017 Energy: 2.8428841060062093 Energy: 2.9461315074081114 Energy: 3.0402530672355295 Energy: 2.9461315074081114 Energy: 2.84288410600787 Energy: 2.9461315074081114 Energy: 2.9282298228705534 Energy: 3.2975177123738417 Energy: 2.9286681618256516 Energy: 3.2072935724894927 Energy: 2.9282298228539916 Energy: 2.8408916871837713 Energy: 3.08134086061342 Energy: 2.946890510649549 Energy: 2.8438342883449605 Energy: 2.946890510647889 Energy: 3.0813408606117605 Energy: 2.9468905106512087 Energy: 2.913739037806227 Energy: 2.8749572859162256 Energy: 2.8775680652335693 Energy: 2.874957285876425 Energy: 2.9137390378311263 Energy: 2.874957285600988 Energy: 3.0376300706877184 Energy: 3.0537814129003684 Energy: 3.0771062567525322 Energy: 3.0540170287470936 Energy: 3.037627177633732 Energy: 3.0538203836400615 Energy: 2.9128651185082557 Energy: 2.8739274993141017 Energy: 2.8783423834850677 Energy: 2.873927499310782 Energy: 2.912865105843564 Energy: 2.8739274993141017 Energy: 3.0402530672288903 Energy: 2.946131507346731 Energy: 2.8428841060161694 Energy: 2.9461315073915118 Energy: 3.0402530672272303 Energy: 2.9461315073716303 Energy: 2.9286681618405908 Energy: 3.297505176868599 Energy: 2.928229822814153 Energy: 2.8408732220065245 Energy: 2.9286681618389308 Energy: 3.2072932735909196 Energy: 2.8438342883416405 Energy: 2.946890510647889 Energy: 3.08134086062006 Energy: 2.9468905106512087 Energy: 2.843834288336661 Energy: 2.946890510649549 minimum gb energy = 2.8408732220065245 eV minimum distance = 2.08022406878107 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 3.1833343229640505 Energy: 3.3343796552611242 Energy: 3.2844917982181085 Energy: 3.3343678817258158 Energy: 3.183340985713717 Energy: 3.334374564954984 Energy: 3.120046831331633 Energy: 3.184192016339858 Energy: 3.1309529037292254 Energy: 3.1841920161122848 Energy: 3.072263253742796 Energy: 3.1841920162057415 Energy: 3.1481246449877713 Energy: 3.1582307589906593 Energy: 3.119976321750865 Energy: 3.1582307589906593 Energy: 3.1481246413679504 Energy: 3.1582307589906593 Energy: 3.0768963693291953 Energy: 3.1949694348250905 Energy: 3.2025974779943924 Energy: 3.195016967088285 Energy: 3.0768963693332614 Energy: 3.1950500544501006 Energy: 3.1745478038955057 Energy: 3.0460022846937296 Energy: 3.1994504774511436 Energy: 3.045991008518654 Energy: 3.174562466133925 Energy: 3.046353398062978 Energy: 3.085732587114078 Energy: 3.198369437969414 Energy: 3.1679192951360085 Energy: 3.1983617224150116 Energy: 3.085732587116789 Energy: 3.1983716985331236 Energy: 3.1073152205873606 Energy: 3.2529997088449947 Energy: 3.1154409805891423 Energy: 3.2529997088436393 Energy: 3.108120430892913 Energy: 3.2529997088436393 Energy: 3.1016530067181654 Energy: 3.165196435381008 Energy: 3.1212328770052036 Energy: 3.1651964353782978 Energy: 3.1016530067140997 Energy: 3.1651964353769415 Energy: 3.1589065497878894 Energy: 3.258716746238614 Energy: 3.051412734887905 Energy: 3.258716746237259 Energy: 3.1589164216484793 Energy: 3.2587167462399695 Energy: 3.1374133597758878 Energy: 3.339762935476509 Energy: 3.1167529611527063 Energy: 3.339762935476509 Energy: 3.137413359744746 Energy: 3.339762935476509 Energy: 3.0688106505497403 Energy: 3.1861233757622442 Energy: 3.1212589577184535 Energy: 3.1916812279861526 Energy: 3.068810647951349 Energy: 3.1864941795981663 Energy: 3.0645272577546634 Energy: 3.235521715292675 Energy: 3.1287332194239954 Energy: 3.2355217152953855 Energy: 3.0645272515364512 Energy: 3.23552171529403 Energy: 3.084868179158279 Energy: 3.247997845544609 Energy: 3.157596159504266 Energy: 3.2480371761753393 Energy: 3.0848865209899734 Energy: 3.2480204324268613 Energy: 3.069175458467852 Energy: 3.2191987949888725 Energy: 3.046068376017756 Energy: 3.2192236011154955 Energy: 3.069169771595717 Energy: 3.219339529163395 Energy: 3.1248129789906454 Energy: 3.333710191967392 Energy: 3.1270685842055626 Energy: 3.333710191888814 Energy: 3.1401146176263746 Energy: 3.3337101921150625 Energy: 3.137884135867499 Energy: 3.254098500497544 Energy: 3.0650090243172423 Energy: 3.254104877661478 Energy: 3.1378804815846917 Energy: 3.254096673834358 Energy: 3.126083448442502 Energy: 3.182258408089387 Energy: 3.0952130712238723 Energy: 3.1822584083345795 Energy: 3.1260868329804476 Energy: 3.182258407999966 Energy: 3.0945024204229563 Energy: 3.403440690945729 Energy: 3.1236991100389786 Energy: 3.4034071773755596 Energy: 3.0945024676380917 Energy: 3.4034672632955125 Energy: 3.069356006853069 Energy: 3.2054942185706112 Energy: 3.0570973524921623 Energy: 3.2054942185719666 Energy: 3.069356455883251 Energy: 3.2054942185719666 Energy: 3.1179313562701356 Energy: 3.1421833039036766 Energy: 3.1959791882908655 Energy: 3.1421831556228 Energy: 3.1174893098835232 Energy: 3.142183309813027 Energy: 3.0712078567142376 Energy: 3.1781775533260967 Energy: 3.1507573461614755 Energy: 3.178177537252201 Energy: 3.0711819274113314 Energy: 3.1781775647288635 minimum gb energy = 3.045991008518654 eV minimum distance = 2.10904581364511 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 3.097868251311453 Energy: 3.308493106488994 Energy: 3.0656703459789014 Energy: 3.3084931064764267 Energy: 3.0978682512988858 Energy: 3.308493106488994 Energy: 2.922151261274882 Energy: 3.1500365080113593 Energy: 2.954697633649009 Energy: 3.15003799743359 Energy: 2.9221549563253237 Energy: 3.1500559507456596 Energy: 2.916122419106834 Energy: 3.3198389781939195 Energy: 2.952727269016177 Energy: 3.3198389213081256 Energy: 2.9161196429374905 Energy: 3.319838955770777 Energy: 3.0391003656796927 Energy: 3.1227345586023643 Energy: 3.0588325536255088 Energy: 3.1227345585452677 Energy: 3.039100327045521 Energy: 3.1227345585087356 Energy: 3.015877277015737 Energy: 3.1201019522408404 Energy: 3.0299596148171224 Energy: 3.120002466525942 Energy: 3.015877277198451 Energy: 3.12000243251209 Energy: 3.042154384660701 Energy: 2.967755380021148 Energy: 2.9645419371610484 Energy: 2.9677550212335455 Energy: 3.0421543846686983 Energy: 2.967755265884132 Energy: 3.0932376369116055 Energy: 3.1098344204280486 Energy: 3.0140324488187016 Energy: 3.109810601537204 Energy: 3.0932249474725153 Energy: 3.1098298331608607 Energy: 2.9657188301076296 Energy: 3.1230026323348925 Energy: 2.975714694774734 Energy: 3.1230026130326585 Energy: 2.9720270973082403 Energy: 3.1230046845638806 Energy: 3.015940519643891 Energy: 3.152118310790244 Energy: 2.983887355604451 Energy: 3.1521183107891013 Energy: 3.015940509768387 Energy: 3.1521183107879587 Energy: 2.993127769646762 Energy: 3.198550455921973 Energy: 3.022952594925295 Energy: 3.1985465080674995 Energy: 2.993131240036294 Energy: 3.1985693638887254 Energy: 2.991581297410407 Energy: 3.215433731825878 Energy: 3.0225115940178697 Energy: 3.215422474584047 Energy: 2.991585534662411 Energy: 3.2154185392441077 Energy: 3.015151844445161 Energy: 3.1519622460372108 Energy: 2.9829056658049447 Energy: 3.1519443326588474 Energy: 3.015145190249882 Energy: 3.1519532607738157 Energy: 2.96456941103774 Energy: 3.1229314612103853 Energy: 2.972140303368865 Energy: 3.122931461209243 Energy: 2.9607690241158138 Energy: 3.122931461209243 Energy: 3.0949488466699573 Energy: 3.114455064395623 Energy: 3.0177692526690327 Energy: 3.1144550643967652 Energy: 3.0949434545570096 Energy: 3.114455064392196 Energy: 3.042302094916278 Energy: 2.9682977879808967 Energy: 2.9523812230044397 Energy: 2.968133323285739 Energy: 3.042302094912851 Energy: 2.96829550326071 Energy: 3.016087650919408 Energy: 3.119964705795042 Energy: 3.024971117829331 Energy: 3.1199646927620703 Energy: 3.0160876509216927 Energy: 3.119964681413457 Energy: 2.9560871195117207 Energy: 3.122021070622708 Energy: 2.998687750176462 Energy: 3.1220210648353506 Energy: 2.95608711950375 Energy: 3.1220210662433665 Energy: 2.9163789969836404 Energy: 3.319302531023438 Energy: 2.965366010025755 Energy: 3.319315589460216 Energy: 2.91639919513129 Energy: 3.3193025208647366 Energy: 2.921620501814477 Energy: 3.1502237671392743 Energy: 2.9548026032706227 Energy: 3.152220500168439 Energy: 2.92160735591986 Energy: 3.1522356605954336 Energy: 3.0978682512817493 Energy: 3.3084931064832817 Energy: 3.030110194614751 Energy: 3.308493106480997 Energy: 3.097868251313738 Energy: 3.308493106509558 Energy: 2.922156606240497 Energy: 3.150074906688746 Energy: 2.9546976502083027 Energy: 3.15015212369427 Energy: 2.922156620329766 Energy: 3.1500564003735003 Energy: 2.916120268197011 Energy: 3.3198389380387083 Energy: 2.9662424875446085 Energy: 3.319838929112163 Energy: 2.916107977168561 Energy: 3.3198389752796906 Energy: 3.0391002433675243 Energy: 3.122734558576114 Energy: 3.097268157215453 Energy: 3.122734558548695 Energy: 3.0391003107283487 Energy: 3.1227345585852535 Energy: 3.0158772775433147 Energy: 3.120101970479922 Energy: 3.029959615050078 Energy: 3.1201064123426367 Energy: 3.015877278561937 Energy: 3.1200448209131966 Energy: 3.0421543846595585 Energy: 2.9677552877728686 Energy: 2.9644478826682925 Energy: 2.967755289723287 Energy: 3.042154384660701 Energy: 2.967755264242018 minimum gb energy = 2.916107977168561 eV minimum distance = 2.1096094635371 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 2.876719820125439 Energy: 3.178215172212343 Energy: 2.8340161354523583 Energy: 3.178215175603199 Energy: 2.8767214690631855 Energy: 3.178215175329184 Energy: 2.6931336608615437 Energy: 2.9858644817082496 Energy: 2.7362166775661443 Energy: 2.985874490308299 Energy: 2.6931327907590794 Energy: 2.9858707594387397 Energy: 2.6770713613185797 Energy: 2.9754676436322858 Energy: 2.7528870514913715 Energy: 2.975466999387193 Energy: 2.677076708110415 Energy: 2.975467719754952 Energy: 2.7288373446728107 Energy: 3.007104792524844 Energy: 2.67304688770181 Energy: 3.007104814844323 Energy: 2.7288371258179582 Energy: 3.007104807924617 Energy: 2.7219537616712537 Energy: 3.0535288483390945 Energy: 2.6690132735844725 Energy: 2.9943018654904754 Energy: 2.71338282322431 Energy: 3.0208142416671566 Energy: 2.6553088086198384 Energy: 2.938697042032538 Energy: 2.6513404306571933 Energy: 2.938695223646823 Energy: 2.6553088171896215 Energy: 2.938696011053883 Energy: 2.7514277241939116 Energy: 2.665943196199036 Energy: 2.665171969778148 Energy: 2.665292029912666 Energy: 2.7514276898457712 Energy: 2.6659434221963525 Energy: 2.7298008889398218 Energy: 2.9604596949230575 Energy: 2.6802198728927173 Energy: 2.960459700417418 Energy: 2.7262097189525214 Energy: 2.9604596787386455 Energy: 2.695480969812417 Energy: 3.0524890303357304 Energy: 2.7283952996634406 Energy: 3.0524890315668944 Energy: 2.695488388419684 Energy: 3.052489031604346 Energy: 2.6952361067936526 Energy: 2.8416104386118697 Energy: 2.719572541739289 Energy: 2.842759494506242 Energy: 2.695239553201285 Energy: 2.8403508893093474 Energy: 2.680358052130687 Energy: 3.002662281463824 Energy: 2.7296685476093403 Energy: 3.002758234793664 Energy: 2.6804741025151757 Energy: 3.0027590525251897 Energy: 2.7742801999137257 Energy: 2.963228212865409 Energy: 2.7743424432223445 Energy: 2.9632278623696293 Energy: 2.774304700107835 Energy: 2.963227413549953 Energy: 2.7838778351984903 Energy: 2.8189271681651125 Energy: 2.698544518527227 Energy: 2.819006767961455 Energy: 2.7824542746056493 Energy: 2.819028127635301 Energy: 2.6692673198738723 Energy: 3.0317771865068774 Energy: 2.7719446083511583 Energy: 3.031725398922186 Energy: 2.669311721821426 Energy: 3.031734416388075 Energy: 2.692083875170134 Energy: 2.996329589914745 Energy: 2.753922354367457 Energy: 2.996331999401852 Energy: 2.6921899600124855 Energy: 2.996332081897136 Energy: 2.6887283012912504 Energy: 2.9084840375475 Energy: 2.832189971555109 Energy: 2.908484120530727 Energy: 2.688731442268886 Energy: 2.9084841151497063 Energy: 2.693096023542882 Energy: 2.805360880929615 Energy: 2.7081295988221674 Energy: 2.806573678451832 Energy: 2.6930990276454394 Energy: 2.806066132748438 Energy: 2.7345234960586415 Energy: 2.9202700368549634 Energy: 2.7539156159266454 Energy: 2.664738982699159 Energy: 2.7345234467217523 Energy: 2.9202210111358986 Energy: 2.6932686505649666 Energy: 2.986322717605188 Energy: 2.70779910779694 Energy: 2.9863176019698954 Energy: 2.6932638896384 Energy: 2.9863173674363024 Energy: 2.688496141239494 Energy: 2.9027128784740883 Energy: 2.83212067325253 Energy: 2.9026956878477033 Energy: 2.688479300146853 Energy: 2.902706086226167 Energy: 2.6951447852738406 Energy: 2.9854553288564296 Energy: 2.749951561300143 Energy: 2.985411292198259 Energy: 2.6924866773023575 Energy: 2.985369756378134 Energy: 2.6692974155837583 Energy: 2.9965815505309226 Energy: 2.7723488893127306 Energy: 2.9966009694763387 Energy: 2.6692974173205717 Energy: 2.9962743945410186 Energy: 2.7841227908653847 Energy: 2.817890449088892 Energy: 2.6985728471527897 Energy: 2.8178865331862855 Energy: 2.7816079438020767 Energy: 2.817885820891514 Energy: 2.7742235855450232 Energy: 2.964185242878173 Energy: 2.77330328882055 Energy: 2.964193144188982 Energy: 2.7742237981317226 Energy: 2.688234018744291 Energy: 2.6810118639084206 Energy: 3.002857059702864 Energy: 2.697290139136292 Energy: 3.002854210942736 Energy: 2.6797253240232877 Energy: 3.0028533859376316 Energy: 2.690487635226675 Energy: 2.8400586200049167 Energy: 2.7194188331058537 Energy: 2.8417466533160924 Energy: 2.6949569326486738 Energy: 2.8394076525259884 Energy: 2.696464744921922 Energy: 3.0535349742944655 Energy: 2.6825898582953043 Energy: 3.053546995924995 Energy: 2.696235228303389 Energy: 3.0535349748119707 Energy: 2.7363174939522485 Energy: 2.9608953731907532 Energy: 2.6822109808590078 Energy: 2.960889979666272 Energy: 2.7281919977536244 Energy: 2.9608917714357603 Energy: 2.7516048352804736 Energy: 2.6663328023915436 Energy: 2.6717377784810865 Energy: 2.66632947467556 Energy: 2.7513365440627675 Energy: 2.666341803152535 minimum gb energy = 2.6513404306571933 eV minimum distance = 2.09546149276974 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 2.855520194767525 Energy: 3.0840780472351406 Energy: 2.8220219443573065 Energy: 3.084078049608447 Energy: 2.8555163902062497 Energy: 3.0840780870780837 Energy: 2.7061233821791584 Energy: 2.892473868690347 Energy: 2.7084957394928195 Energy: 2.8924738686660745 Energy: 2.7061089325366954 Energy: 2.892473868663474 Energy: 2.656402855706977 Energy: 2.995676675154235 Energy: 2.7268383563640386 Energy: 2.995676675320596 Energy: 2.656402856114251 Energy: 2.9956766751932444 Energy: 2.7157325047257577 Energy: 3.0266185737883977 Energy: 2.668537908359517 Energy: 3.0641595937681965 Energy: 2.715732434096428 Energy: 3.0042336664219906 Energy: 2.679836527120006 Energy: 2.996546266826606 Energy: 2.6724656224924925 Energy: 2.9965410824469143 Energy: 2.6798365271096034 Energy: 2.9965420015864535 Energy: 2.622278055459894 Energy: 2.989458554417958 Energy: 2.660544790491811 Energy: 2.98945853572341 Energy: 2.622278055525737 Energy: 2.989454479757068 Energy: 2.649862451262056 Energy: 2.948289851163713 Energy: 2.7075955446510327 Energy: 2.948270776658342 Energy: 2.649862451808817 Energy: 2.9483082174938393 Energy: 2.6342765060880406 Energy: 2.963862807038622 Energy: 2.6954433590115845 Energy: 2.8508948362973947 Energy: 2.634276983969338 Energy: 2.991939394649538 Energy: 2.6570339090794315 Energy: 2.951598580522165 Energy: 2.6232622763017686 Energy: 2.951598583693508 Energy: 2.657033783603921 Energy: 2.951598583592123 Energy: 2.6634275716204945 Energy: 3.0570277144682922 Energy: 2.6873492642401815 Energy: 3.0570277126616463 Energy: 2.6634252088542145 Energy: 3.0570277027966513 Energy: 2.614771252984654 Energy: 2.9790739361242697 Energy: 3.0996204237369764 Energy: 2.979073936257729 Energy: 2.6147712596210924 Energy: 2.9790739359197667 Energy: 2.7130247817450894 Energy: 2.9951928370970533 Energy: 2.665742438832031 Energy: 2.995192837100521 Energy: 2.713028724729832 Energy: 2.9951928371438252 Energy: 2.729973199766301 Energy: 3.039121411715451 Energy: 2.6773871983575845 Energy: 3.039132524092054 Energy: 2.729992547298288 Energy: 3.039153481398481 Energy: 2.6389725705456066 Energy: 2.704829478152504 Energy: 2.700478147198697 Energy: 2.6627208647769383 Energy: 2.6389725705456066 Energy: 2.7048301830220787 Energy: 2.6886430587708214 Energy: 2.776281103081408 Energy: 2.727050589152891 Energy: 2.776274847163941 Energy: 2.6886430587630197 Energy: 2.776279035961462 Energy: 2.7526406260597636 Energy: 3.067755584674021 Energy: 2.6338499767263603 Energy: 3.0677555847000275 Energy: 2.752647944902093 Energy: 3.067755584359464 Energy: 2.679397540179585 Energy: 3.0700257245569755 Energy: 2.683994154069228 Energy: 3.059952159666908 Energy: 2.6794027174895576 Energy: 3.05955415500577 Energy: 2.6580024617537847 Energy: 2.6685903301352814 Energy: 2.6703454375407762 Energy: 2.668590330130946 Energy: 2.657427523926654 Energy: 2.668590330156953 Energy: 2.678131583573047 Energy: 3.001534011588556 Energy: 2.68035425089454 Energy: 3.0015340112532334 Energy: 2.6781315788263957 Energy: 3.0015340101744465 Energy: 2.7115063167142863 Energy: 2.9734095424202165 Energy: 2.702584479377028 Energy: 2.973410044020822 Energy: 2.7211523710936514 Energy: 2.9734100241106 Energy: 2.9007062694396284 Energy: 2.6650568192166517 Energy: 2.6281233985029875 Energy: 2.6650568182357826 Energy: 2.900706220598211 Energy: 2.6650568204713347 Energy: 2.7125723160516455 Energy: 3.014474450339099 Energy: 2.6642742018319803 Energy: 3.0146594057560763 Energy: 2.712526173030533 Energy: 3.0139588678904086 Energy: 2.6994028312442357 Energy: 2.9768727601497202 Energy: 2.6650506978359005 Energy: 2.976653399672302 Energy: 2.699402737848726 Energy: 2.9771987706290584 Energy: 2.6964364567506283 Energy: 3.0826600993091935 Energy: 2.625399484087288 Energy: 3.0826600992286135 Energy: 2.696449548717849 Energy: 3.0826600991280957 Energy: 2.657863456663838 Energy: 2.8090152391959915 Energy: 2.6989065101149468 Energy: 2.8184895707673214 Energy: 2.6578639493985214 Energy: 2.818481269990031 Energy: 2.6417172699437104 Energy: 3.061358135461259 Energy: 2.7640649951330247 Energy: 3.061363048083714 Energy: 2.6439116209012212 Energy: 3.061369444035458 Energy: 2.6941646562415342 Energy: 2.637398528517194 Energy: 2.654550076958488 Energy: 2.637398528377706 Energy: 2.6941646574425104 Energy: 2.6373985282451136 Energy: 2.7600137348200477 Energy: 2.6442425700747845 Energy: 2.6615122253858217 Energy: 2.644242570582537 Energy: 2.7600359844407 Energy: 2.6442425705920725 Energy: 2.7322703984513503 Energy: 3.054531640784774 Energy: 2.7726631078527464 Energy: 3.0529898458096096 Energy: 2.732342866689796 Energy: 3.0545316426763343 Energy: 2.662798155896876 Energy: 2.884612829025787 Energy: 2.6720619658989433 Energy: 2.8846128295526103 Energy: 2.6627981506832157 Energy: 2.8846128298593268 Energy: 2.6794146206829006 Energy: 2.733596920204376 Energy: 2.658297095345087 Energy: 2.733596919061441 Energy: 2.6794146707174926 Energy: 2.7335969162505602 Energy: 2.6976087103908197 Energy: 2.939530227663988 Energy: 2.679979877523562 Energy: 2.9395302266059673 Energy: 2.6976087104072897 Energy: 2.9395302274958537 Energy: 2.697534347750721 Energy: 2.6402676917031482 Energy: 2.6636319032653377 Energy: 2.640267691734356 Energy: 2.697607333032358 Energy: 2.640267691755122 minimum gb energy = 2.614771252984654 eV minimum distance = 2.09369567121698 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.9264152992112924 Energy: 0.9376500228135609 Energy: 9.265933125319469 Energy: 0.9376500228867473 Energy: 0.9264152991782004 Energy: 0.9376500229930653 Energy: 0.9389670909388986 Energy: 2.018417942892463 Energy: 0.9389741078880847 Energy: 2.0184179430311526 Energy: 0.938959294067496 Energy: 2.018417942951604 Energy: 5.91641616771133 Energy: 0.9376500228853466 Energy: 0.9264152992605499 Energy: 0.9376500230430431 Energy: 5.9164139846337935 Energy: 0.9376500229092752 Energy: 0.9389503901277192 Energy: 2.018417943021309 Energy: 0.938959455444968 Energy: 2.018417942834762 Energy: 0.9389630962528245 Energy: 2.018417943103658 minimum gb energy = 0.9264152991782004 eV minimum distance = 2.3726022798882 Angstroms sigma value = 1