method state residue resName nucleus mean_ppm ensemble_sd_ppm finite_frames experimental_ppm experimental_error_ppm predicted_minus_experimental_ppm common_comparison_mask status AF3 Original 1 MET N nan nan 0 False missing_experiment AF3 Original 1 MET HN nan nan 0 False missing_experiment AF3 Original 1 MET HA 4.479999999999977 2.3104170817497403e-14 1002 False missing_experiment AF3 Original 1 MET CA 55.30059081836339 0.0008941119017500253 1002 55.706 0.25 -0.4054091816366139 True matched AF3 Original 1 MET CB 32.60062175648652 0.0009585024682284953 1002 32.671 0.25 -0.07037824351348121 True matched AF3 Original 1 MET C 176.30065369261632 0.000961201035103149 1002 176.163 0.02 0.13765369261631122 True matched AF3 Original 2 GLU N 122.42884331337328 0.9984173301956278 1002 121.536 0.11 0.8928433133732767 True matched AF3 Original 2 GLU HN 8.888548902195614 0.13253966704519807 1002 8.358 0.02 0.5305489021956138 True matched AF3 Original 2 GLU HA 4.652268463073854 0.17453639113835706 1002 False missing_experiment AF3 Original 2 GLU CA 56.25227345309386 0.4691738387664741 1002 56.478 0.25 -0.22572654690613803 True matched AF3 Original 2 GLU CB 30.77459481037927 0.6724692503010181 1002 30.498 0.25 0.2765948103792688 True matched AF3 Original 2 GLU C 175.88085329341337 0.42771260603443867 1002 176.171 0.02 -0.29014670658662567 True matched AF3 Original 3 GLU N 123.3364291417165 1.118804010117949 1002 123.308 0.11 0.028429141716486583 True matched AF3 Original 3 GLU HN 8.576446107784435 0.1744523372496009 1002 8.359 0.02 0.21744610778443452 True matched AF3 Original 3 GLU HA 4.620520958083827 0.1266602827750183 1002 False missing_experiment AF3 Original 3 GLU CA 54.46921656686622 0.30504789425138273 1002 54.304 0.25 0.16521656686622066 True matched AF3 Original 3 GLU CB 30.477532934131755 0.4588977644910889 1002 29.868 0.25 0.6095329341317566 True matched AF3 Original 3 GLU C 174.48682135728546 0.24435570243732888 1002 174.464 0.02 0.022821357285465638 True matched AF3 Original 4 PRO N nan nan 0 False missing_experiment AF3 Original 4 PRO HN nan nan 0 False missing_experiment AF3 Original 4 PRO HA 4.4316197604790375 0.06615096506147092 1002 False missing_experiment AF3 Original 4 PRO CA 63.02090119760472 0.3237813812369808 1002 63.282 0.25 -0.2610988023952743 True matched AF3 Original 4 PRO CB 32.36727944111775 0.2859290826694107 1002 32.204 0.25 0.1632794411177514 True matched AF3 Original 4 PRO C 176.586845309381 0.38498064746689514 1002 176.995 0.02 -0.4081546906189999 True matched AF3 Original 5 GLN N 120.66863972055893 0.8566095312626821 1002 120.976 0.11 -0.30736027944107036 True matched AF3 Original 5 GLN HN 8.635025948103804 0.1408214353310625 1002 8.575 0.02 0.060025948103804794 True matched AF3 Original 5 GLN HA 4.6309690618762565 0.1735307382678767 1002 False missing_experiment AF3 Original 5 GLN CA 55.53991916167666 0.5429255679002566 1002 55.686 0.25 -0.14608083832334273 True matched AF3 Original 5 GLN CB 29.437524950099817 0.8184107475617141 1002 29.746 0.25 -0.3084750499001814 True matched AF3 Original 5 GLN C 175.683776447106 0.54471901849948 1002 176.034 0.02 -0.35022355289399343 True matched AF3 Original 6 SER N 117.90727944111768 1.188474302031767 1002 117.753 0.11 0.15427944111768 True matched AF3 Original 6 SER HN 8.7888862275449 0.1419166399589664 1002 8.400 0.02 0.38888622754489965 True matched AF3 Original 6 SER HA 4.656638722554888 0.12122155976151201 1002 False missing_experiment AF3 Original 6 SER CA 57.572837325349234 0.28262718616168947 1002 58.306 0.25 -0.7331626746507638 True matched AF3 Original 6 SER CB 63.78667964071864 0.4791087360753161 1002 64.034 0.25 -0.24732035928136753 True matched AF3 Original 6 SER C 173.8756976047904 0.41677079489663493 1002 173.796 0.02 0.07969760479039678 True matched AF3 Original 7 ASP N 124.06622554890207 1.0709672805972348 1002 123.666 0.11 0.4002255489020712 True matched AF3 Original 7 ASP HN 8.625155688622755 0.10180743076816762 1002 8.456 0.02 0.1691556886227552 True matched AF3 Original 7 ASP HA 4.86536027944112 0.09672598938289359 1002 False missing_experiment AF3 Original 7 ASP CA 52.54851097804389 0.500122552792243 1002 52.368 0.25 0.18051097804389116 True matched AF3 Original 7 ASP CB 41.830950099800376 0.5376150570393605 1002 41.250 0.25 0.5809500998003756 True matched AF3 Original 7 ASP C 174.9005409181637 0.30334609601639334 1002 174.768 0.02 0.1325409181636985 True matched AF3 Original 8 PRO N nan nan 0 False missing_experiment AF3 Original 8 PRO HN nan nan 0 False missing_experiment AF3 Original 8 PRO HA 4.358871257485033 0.05817295161770339 1002 False missing_experiment AF3 Original 8 PRO CA 63.69255189620763 0.2941199063003301 1002 63.486 0.25 0.20655189620763537 True matched AF3 Original 8 PRO CB 32.05013373253491 0.1754670777794395 1002 32.204 0.25 -0.1538662674650908 True matched AF3 Original 8 PRO C 178.18908483033925 0.3826055341923669 1002 177.153 0.02 1.036084830339263 True matched AF3 Original 9 SER N 115.09407584830353 0.6164520201462446 1002 116.051 0.11 -0.9569241516964695 True matched AF3 Original 9 SER HN 8.304434131736517 0.0969712160177372 1002 8.541 0.02 -0.23656586826348303 True matched AF3 Original 9 SER HA 4.48360079840319 0.07120253168843392 1002 False missing_experiment AF3 Original 9 SER CA 58.478212574850325 0.4054709817046746 1002 58.996 0.25 -0.5177874251496775 True matched AF3 Original 9 SER CB 62.58927345309381 0.47926882901289214 1002 63.871 0.25 -1.2817265469061923 True matched AF3 Original 9 SER C 175.77369061876263 0.41400735259631927 1002 174.587 0.02 1.1866906187626398 True matched AF3 Original 10 VAL N 122.49577445109777 1.2978373046559382 1002 121.109 0.11 1.3867744510977786 True matched AF3 Original 10 VAL HN 8.612758483033925 0.13327933887412374 1002 7.890 0.02 0.7227584830339255 True matched AF3 Original 10 VAL HA 4.306345309381242 0.14671746490600784 1002 False missing_experiment AF3 Original 10 VAL CA 62.047080838323375 0.7415735884354502 1002 61.942 0.25 0.10508083832337434 True matched AF3 Original 10 VAL CB 32.194804391217545 0.7036711437753411 1002 32.915 0.25 -0.7201956087824541 True matched AF3 Original 10 VAL C 176.52320059880228 0.40890075183935093 1002 175.852 0.02 0.6712005988022725 True matched AF3 Original 11 GLU N 124.77909580838325 2.170452826331654 1002 126.173 0.11 -1.3939041916167554 True matched AF3 Original 11 GLU HN 8.831978043912173 0.1417121349347974 1002 8.357 0.02 0.4749780439121736 True matched AF3 Original 11 GLU HA 4.639107784431141 0.1300382421246403 1002 False missing_experiment AF3 Original 11 GLU CA 54.910151696606725 0.38159512065278 1002 54.264 0.25 0.6461516966067222 True matched AF3 Original 11 GLU CB 30.130469061876223 0.546011208036627 1002 29.807 0.25 0.3234690618762244 True matched AF3 Original 11 GLU C 174.36841417165678 0.2378760771718581 1002 173.930 0.02 0.438414171656774 True matched AF3 Original 12 PRO N nan nan 0 False missing_experiment AF3 Original 12 PRO HN nan nan 0 False missing_experiment AF3 Original 12 PRO HA 4.4901257485029875 0.0749877922511519 1002 False missing_experiment AF3 Original 12 PRO CA 62.12022355289421 0.16580520666611792 1002 False missing_experiment AF3 Original 12 PRO CB 31.697153692614755 0.2623525099781696 1002 False missing_experiment AF3 Original 12 PRO C 175.26039820359298 0.19150489286901748 1002 False missing_experiment AF3 Original 13 PRO N nan nan 0 False missing_experiment AF3 Original 13 PRO HN nan nan 0 False missing_experiment AF3 Original 13 PRO HA 4.468738522954093 0.0898214540041218 1002 False missing_experiment AF3 Original 13 PRO CA 63.68633832335321 0.6916607750051342 1002 62.775 0.25 0.9113383233532133 True matched AF3 Original 13 PRO CB 31.874359281437123 0.2226101152133192 1002 32.103 0.25 -0.22864071856287893 True matched AF3 Original 13 PRO C 177.41595309381256 0.31594717624506846 1002 176.989 0.02 0.42695309381255697 True matched AF3 Original 14 LEU N 119.29765568862277 1.9800861181214806 1002 122.452 0.11 -3.15434431137723 True matched AF3 Original 14 LEU HN 8.15246107784431 0.32203000738499454 1002 8.363 0.02 -0.21053892215569014 True matched AF3 Original 14 LEU HA 4.8609161676646675 0.2582472561572941 1002 False missing_experiment AF3 Original 14 LEU CA 54.23446207584834 0.5742426877152971 1002 55.381 0.25 -1.1465379241516587 True matched AF3 Original 14 LEU CB 42.87553892215574 0.928338292325077 1002 42.503 0.25 0.3725389221557407 True matched AF3 Original 14 LEU C 177.14607285429162 0.5596231674904499 1002 177.622 0.02 -0.4759271457083969 True matched AF3 Original 15 SER N 116.00277045908193 0.9605540979198196 1002 116.709 0.11 -0.7062295409180734 True matched AF3 Original 15 SER HN 9.102541916167658 0.09242382039790398 1002 8.349 0.02 0.7535419161676575 True matched AF3 Original 15 SER HA 4.747140718562877 0.13486217169143208 1002 False missing_experiment AF3 Original 15 SER CA 57.939484031936125 0.30927774817951587 1002 58.184 0.25 -0.24451596806387244 True matched AF3 Original 15 SER CB 64.52656686626744 0.3679841541184587 1002 63.871 0.25 0.6555668662674421 True matched AF3 Original 15 SER C 175.37997005988012 0.20654496430442656 1002 174.657 0.02 0.7229700598801116 True matched AF3 Original 16 GLN N 120.60582634730535 0.519433168913445 1002 122.501 0.11 -1.8951736526946519 True matched AF3 Original 16 GLN HN 9.080347305389218 0.11354514801209015 1002 8.513 0.02 0.5673473053892177 True matched AF3 Original 16 GLN HA 4.1766696606786455 0.04115669792270432 1002 False missing_experiment AF3 Original 16 GLN CA 57.55383632734536 0.27300513430031 1002 56.051 0.25 1.5028363273453564 True matched AF3 Original 16 GLN CB 28.40121656686626 0.22701747305420822 1002 29.604 0.25 -1.2027834331337388 True matched AF3 Original 16 GLN C 177.69708882235528 0.3016114878535048 1002 176.063 0.02 1.6340888223552952 True matched AF3 Original 17 GLU N 120.39602395209583 0.6712399573511728 1002 121.933 0.11 -1.5369760479041759 True matched AF3 Original 17 GLU HN 8.691426147704593 0.11154769449335712 1002 8.546 0.02 0.14542614770459394 True matched AF3 Original 17 GLU HA 4.199671656686625 0.020105987275574787 1002 False missing_experiment AF3 Original 17 GLU CA 58.09374251497002 0.14865407338962125 1002 57.067 0.25 1.0267425149700173 True matched AF3 Original 17 GLU CB 29.50184730538924 0.20636118990020283 1002 30.255 0.25 -0.7531526946107583 True matched AF3 Original 17 GLU C 178.4000049900198 0.22121797752775077 1002 176.626 0.02 1.7740049900197903 True matched AF3 Original 18 THR N 115.29972155688614 0.3409116316199808 1002 114.933 0.11 0.3667215568861337 True matched AF3 Original 18 THR HN 8.40978443113772 0.06778226170705455 1002 8.127 0.02 0.2827844311377188 True matched AF3 Original 18 THR HA 4.2221676646706605 0.02506379138711126 1002 False missing_experiment AF3 Original 18 THR CA 63.25844510978044 0.1614121544290903 1002 62.023 0.25 1.2354451097804358 True matched AF3 Original 18 THR CB 68.49971357285429 0.07314802910022894 1002 69.986 0.25 -1.4862864271457141 True matched AF3 Original 18 THR C 176.2164291417167 0.12317499498547632 1002 174.411 0.02 1.8054291417167008 True matched AF3 Original 19 PHE N 121.98015069860288 0.24603411848167314 1002 122.317 0.11 -0.336849301397109 True matched AF3 Original 19 PHE HN 8.356995009980048 0.03555804550941244 1002 8.261 0.02 0.09599500998004906 True matched AF3 Original 19 PHE HA 4.4261197604790405 0.039276417756088255 1002 False missing_experiment AF3 Original 19 PHE CA 59.125877245508995 0.1882810562564716 1002 58.082 0.25 1.0438772455089946 True matched AF3 Original 19 PHE CB 38.48103093812381 0.1702052707959171 1002 39.456 0.25 -0.9749690618761946 True matched AF3 Original 19 PHE C 178.52093113772438 0.17001702403007488 1002 175.917 0.02 2.6039311377243735 True matched AF3 Original 20 SER N 115.41208483033932 0.1714405958678096 1002 116.753 0.11 -1.3409151696606756 True matched AF3 Original 20 SER HN 8.822365269461082 0.07931399373235137 1002 8.119 0.02 0.7033652694610826 True matched AF3 Original 20 SER HA 4.234758483033936 0.01630716496712245 1002 False missing_experiment AF3 Original 20 SER CA 59.81659081836328 0.15272255255027484 1002 58.753 0.25 1.0635908183632807 True matched AF3 Original 20 SER CB 62.689730538922156 0.12220101536956118 1002 63.912 0.25 -1.2222694610778433 True matched AF3 Original 20 SER C 176.38071057884235 0.1385125638255489 1002 174.511 0.02 1.8697105788423585 True matched AF3 Original 21 ASP N 121.53901097804402 0.34346096931354486 1002 122.139 0.11 -0.5999890219559774 True matched AF3 Original 21 ASP HN 8.652496007984034 0.08358765212902855 1002 8.295 0.02 0.35749600798403414 True matched AF3 Original 21 ASP HA 4.601043912175651 0.020968033037336083 1002 False missing_experiment AF3 Original 21 ASP CA 54.91514870259483 0.13593632391364058 1002 54.954 0.25 -0.03885129740517357 True matched AF3 Original 21 ASP CB 40.61141716566871 0.08905128574735613 1002 40.837 0.25 -0.22558283433129134 True matched AF3 Original 21 ASP C 178.17716467065858 0.07217796181086099 1002 176.884 0.02 1.293164670658598 True matched AF3 Original 22 LEU N 120.38034730538908 0.18683544538997549 1002 121.145 0.11 -0.7646526946109162 True matched AF3 Original 22 LEU HN 8.472027944111767 0.051423057928114184 1002 7.959 0.02 0.5130279441117676 True matched AF3 Original 22 LEU HA 4.246677644710584 0.031542003443983294 1002 False missing_experiment AF3 Original 22 LEU CA 55.66108083832334 0.19137431991198298 1002 56.579 0.25 -0.9179191616766573 True matched AF3 Original 22 LEU CB 41.53220159680637 0.18085803175362516 1002 41.832 0.25 -0.29979840319363404 True matched AF3 Original 22 LEU C 178.9836546906186 0.16610499587098707 1002 178.050 0.02 0.9336546906185959 True matched AF3 Original 23 TRP N 122.15499600798404 0.306662316250015 1002 119.387 0.11 2.7679960079840384 True matched AF3 Original 23 TRP HN 8.145210578842327 0.04029229577432276 1002 7.869 0.02 0.2762105788423277 True matched AF3 Original 23 TRP HA 4.482748502994021 0.01765658143261611 1002 False missing_experiment AF3 Original 23 TRP CA 58.57335029940121 0.16076716693077372 1002 57.757 0.25 0.8163502994012148 True matched AF3 Original 23 TRP CB 29.374565868263474 0.13970627154993512 1002 28.934 0.25 0.440565868263473 True matched AF3 Original 23 TRP C 178.98070059880203 0.09094488005617632 1002 176.743 0.02 2.2377005988020358 True matched AF3 Original 24 LYS N 120.19863373253484 0.16080625587306097 1002 120.522 0.11 -0.3233662674651612 True matched AF3 Original 24 LYS HN 8.475288423153692 0.04393865087446267 1002 7.595 0.02 0.8802884231536927 True matched AF3 Original 24 LYS HA 4.235257485029943 0.03121552754163495 1002 False missing_experiment AF3 Original 24 LYS CA 57.37624950099801 0.15451100922839683 1002 56.945 0.25 0.43124950099800685 True matched AF3 Original 24 LYS CB 32.04161477045906 0.12975174675360487 1002 32.895 0.25 -0.8533852295409403 True matched AF3 Original 24 LYS C 178.38653293413162 0.08064401995943868 1002 176.198 0.02 2.188532934131615 True matched AF3 Original 25 LEU N 122.20611177644699 0.19428925129267985 1002 120.787 0.11 1.4191117764469823 True matched AF3 Original 25 LEU HN 8.332418163672655 0.03655048360240381 1002 7.842 0.02 0.490418163672655 True matched AF3 Original 25 LEU HA 4.334683632734531 0.04387827945770754 1002 False missing_experiment AF3 Original 25 LEU CA 54.868288423153714 0.22123522012348182 1002 54.975 0.25 -0.10671157684628696 True matched AF3 Original 25 LEU CB 41.83799001996009 0.0974770645951011 1002 42.320 0.25 -0.482009980039912 True matched AF3 Original 25 LEU C 177.5388812375248 0.17119265738145462 1002 177.095 0.02 0.44388123752480624 True matched AF3 Original 26 LEU N 123.07459481037921 0.521412202396727 1002 123.711 0.11 -0.6364051896207883 True matched AF3 Original 26 LEU HN 8.141157684630745 0.0347757061192473 1002 7.934 0.02 0.20715768463074458 True matched AF3 Original 26 LEU HA 4.4448742514970085 0.051001362890338096 1002 False missing_experiment AF3 Original 26 LEU CA 53.39667864271447 0.2868888135351784 1002 53.025 0.25 0.37167864271447115 True matched AF3 Original 26 LEU CB 41.8970359281437 0.20297398913732875 1002 41.548 0.25 0.34903592814369944 True matched AF3 Original 26 LEU C 175.23006187624736 0.29660000438481376 1002 175.530 0.02 -0.2999381237526393 True matched AF3 Original 27 PRO N nan nan 0 False missing_experiment AF3 Original 27 PRO HN nan nan 0 False missing_experiment AF3 Original 27 PRO HA 4.52655289421158 0.06614439217341708 1002 False missing_experiment AF3 Original 27 PRO CA 62.99889121756486 0.25434925122970864 1002 63.668 0.25 -0.6691087824351385 True matched AF3 Original 27 PRO CB 32.230099800399174 0.43296969093308774 1002 32.021 0.25 0.20909980039917286 True matched AF3 Original 27 PRO C 176.76730738522986 0.32643442204132783 1002 177.487 0.02 -0.719692614770139 True matched AF3 Original 28 GLU N 120.12445009980036 0.03883691155705812 1002 119.825 0.11 0.2994500998003531 True matched AF3 Original 28 GLU HN 8.359999999999873 1.2618431754171659e-13 1002 8.727 0.02 -0.367000000000127 True matched AF3 Original 28 GLU HA 4.3499999999999615 3.821074404432263e-14 1002 False missing_experiment AF3 Original 28 GLU CA 56.32971457085825 0.042412445717191945 1002 57.189 0.25 -0.8592854291417495 True matched AF3 Original 28 GLU CB 29.60918263473052 0.07738721339502577 1002 29.950 0.25 -0.3408173652694799 True matched AF3 Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction AF3 Relaxed 1 MET N nan nan 0 False missing_experiment AF3 Relaxed 1 MET HN nan nan 0 False missing_experiment AF3 Relaxed 1 MET HA 4.480131004333496 0.0012203202850100915 1000 False missing_experiment AF3 Relaxed 1 MET CA 55.3000991821289 0.0011568375065088348 1000 55.706 0.25 -0.40590081787109966 True matched AF3 Relaxed 1 MET CB 32.600079872131346 0.0010818937120639512 1000 32.671 0.25 -0.07092012786865354 True matched AF3 Relaxed 1 MET C 176.30015263366698 0.0011481715332710162 1000 176.163 0.02 0.13715263366697172 True matched AF3 Relaxed 2 GLU N 119.04618689727783 1.2555706085141993 1000 121.536 0.11 -2.4898131027221666 True matched AF3 Relaxed 2 GLU HN 8.225101995944977 0.17605557898378282 1000 8.358 0.02 -0.13289800405502383 True matched AF3 Relaxed 2 GLU HA 4.475634999752045 0.10849362989820588 1000 False missing_experiment AF3 Relaxed 2 GLU CA 56.30605401992798 0.37426501102556137 1000 56.478 0.25 -0.17194598007202444 True matched AF3 Relaxed 2 GLU CB 30.038714017868042 0.5857939697087651 1000 30.498 0.25 -0.45928598213195926 True matched AF3 Relaxed 2 GLU C 175.6351641845703 0.36142495431190547 1000 176.171 0.02 -0.5358358154296923 True matched AF3 Relaxed 3 GLU N 122.05366895294189 1.025162297007898 1000 123.308 0.11 -1.2543310470581162 True matched AF3 Relaxed 3 GLU HN 8.105711996555328 0.18451362437899343 1000 8.359 0.02 -0.2532880034446716 True matched AF3 Relaxed 3 GLU HA 4.433701997280121 0.13281027612997753 1000 False missing_experiment AF3 Relaxed 3 GLU CA 54.850208984375 0.6767864954125934 1000 54.304 0.25 0.5462089843749993 True matched AF3 Relaxed 3 GLU CB 29.462855001449586 0.4802178738139118 1000 29.868 0.25 -0.4051449985504121 True matched AF3 Relaxed 3 GLU C 174.9624830932617 0.39249530527609267 1000 174.464 0.02 0.4984830932617115 True matched AF3 Relaxed 4 PRO N nan nan 0 False missing_experiment AF3 Relaxed 4 PRO HN nan nan 0 False missing_experiment AF3 Relaxed 4 PRO HA 4.454276996135712 0.09284210312652973 1000 False missing_experiment AF3 Relaxed 4 PRO CA 62.96611099243164 0.37881398214127826 1000 63.282 0.25 -0.3158890075683587 True matched AF3 Relaxed 4 PRO CB 32.26210597991943 0.4834797823974491 1000 32.204 0.25 0.058105979919432116 True matched AF3 Relaxed 4 PRO C 176.32808180236816 0.3892516770951835 1000 176.995 0.02 -0.6669181976318441 True matched AF3 Relaxed 5 GLN N 121.69205912017823 1.9667920809355313 1000 120.976 0.11 0.7160591201782296 True matched AF3 Relaxed 5 GLN HN 8.40395098543167 0.228584898636117 1000 8.575 0.02 -0.17104901456832877 True matched AF3 Relaxed 5 GLN HA 4.401510002374649 0.17087855461539753 1000 False missing_experiment AF3 Relaxed 5 GLN CA 55.72338096237183 0.70517670780891 1000 55.686 0.25 0.03738096237182731 True matched AF3 Relaxed 5 GLN CB 29.522186004638673 1.0667729277788338 1000 29.746 0.25 -0.22381399536132562 True matched AF3 Relaxed 5 GLN C 175.54668699645995 0.5636346668356105 1000 176.034 0.02 -0.4873130035400379 True matched AF3 Relaxed 6 SER N 117.69322109222412 2.343390151493389 1000 117.753 0.11 -0.05977890777587902 True matched AF3 Relaxed 6 SER HN 8.366583005428314 0.22930448847179433 1000 8.400 0.02 -0.03341699457168623 True matched AF3 Relaxed 6 SER HA 4.518090000629425 0.12885289304696723 1000 False missing_experiment AF3 Relaxed 6 SER CA 58.10649597930908 0.5092370007876512 1000 58.306 0.25 -0.19950402069091666 True matched AF3 Relaxed 6 SER CB 63.776269073486326 0.6845614341382115 1000 64.034 0.25 -0.25773092651368046 True matched AF3 Relaxed 6 SER C 173.77238786315917 0.5985140503561787 1000 173.796 0.02 -0.02361213684082486 True matched AF3 Relaxed 7 ASP N 124.6540499343872 2.0272889691444598 1000 123.666 0.11 0.988049934387206 True matched AF3 Relaxed 7 ASP HN 8.33680898618698 0.2934223457506959 1000 8.456 0.02 -0.119191013813019 True matched AF3 Relaxed 7 ASP HA 4.8176569991111755 0.1254609483351392 1000 False missing_experiment AF3 Relaxed 7 ASP CA 52.38287801742554 1.0013349633376687 1000 52.368 0.25 0.014878017425537848 True matched AF3 Relaxed 7 ASP CB 41.92211298751831 0.8648925700533602 1000 41.250 0.25 0.672112987518311 True matched AF3 Relaxed 7 ASP C 175.70586083984375 0.6806849945506865 1000 174.768 0.02 0.9378608398437507 True matched AF3 Relaxed 8 PRO N nan nan 0 False missing_experiment AF3 Relaxed 8 PRO HN nan nan 0 False missing_experiment AF3 Relaxed 8 PRO HA 4.460140001296997 0.11956977794809612 1000 False missing_experiment AF3 Relaxed 8 PRO CA 63.740618942260745 0.47181002870259164 1000 63.486 0.25 0.2546189422607483 True matched AF3 Relaxed 8 PRO CB 31.72433097267151 0.47173380597837833 1000 32.204 0.25 -0.4796690273284909 True matched AF3 Relaxed 8 PRO C 176.75339810180665 0.5475142402635315 1000 177.153 0.02 -0.3996018981933389 True matched AF3 Relaxed 9 SER N 114.16873197174073 1.7918338475686304 1000 116.051 0.11 -1.8822680282592756 True matched AF3 Relaxed 9 SER HN 8.382447000026703 0.36648357057584097 1000 8.541 0.02 -0.1585529999732973 True matched AF3 Relaxed 9 SER HA 4.413767996311187 0.1071501673211061 1000 False missing_experiment AF3 Relaxed 9 SER CA 59.164542949676516 0.8251077232379631 1000 58.996 0.25 0.16854294967651384 True matched AF3 Relaxed 9 SER CB 63.5910919303894 0.7112043517112245 1000 63.871 0.25 -0.2799080696105989 True matched AF3 Relaxed 9 SER C 174.83923794555665 0.6539802054253744 1000 174.587 0.02 0.2522379455566579 True matched AF3 Relaxed 10 VAL N 122.21460705566406 2.359891790505187 1000 121.109 0.11 1.1056070556640663 True matched AF3 Relaxed 10 VAL HN 7.582738994121551 0.26259482599141953 1000 7.890 0.02 -0.3072610058784484 True matched AF3 Relaxed 10 VAL HA 4.147403001308441 0.14780963186195603 1000 False missing_experiment AF3 Relaxed 10 VAL CA 62.288156959533694 0.9995442192085502 1000 61.942 0.25 0.34615695953369396 True matched AF3 Relaxed 10 VAL CB 32.58243402290344 1.0434012055754185 1000 32.915 0.25 -0.3325659770965572 True matched AF3 Relaxed 10 VAL C 175.56224797058104 0.541308469842135 1000 175.852 0.02 -0.2897520294189633 True matched AF3 Relaxed 11 GLU N 125.14806600952149 3.229650816809666 1000 126.173 0.11 -1.024933990478516 True matched AF3 Relaxed 11 GLU HN 8.238146985530854 0.29337176890140226 1000 8.357 0.02 -0.11885301446914553 True matched AF3 Relaxed 11 GLU HA 4.4507640051841735 0.14517535428842454 1000 False missing_experiment AF3 Relaxed 11 GLU CA 54.80709303665161 0.7478413342311089 1000 54.264 0.25 0.5430930366516051 True matched AF3 Relaxed 11 GLU CB 29.486477033615113 0.618405984237705 1000 29.807 0.25 -0.3205229663848854 True matched AF3 Relaxed 11 GLU C 175.14212606811523 0.35594142109678584 1000 173.930 0.02 1.212126068115225 True matched AF3 Relaxed 12 PRO N nan nan 0 False missing_experiment AF3 Relaxed 12 PRO HN nan nan 0 False missing_experiment AF3 Relaxed 12 PRO HA 4.611267004489899 0.09835984007030725 1000 False missing_experiment AF3 Relaxed 12 PRO CA 61.90927700424194 0.3846683909548533 1000 False missing_experiment AF3 Relaxed 12 PRO CB 31.559383012771608 0.2544898587747005 1000 False missing_experiment AF3 Relaxed 12 PRO C 175.5574139099121 0.3654568798354511 1000 False missing_experiment AF3 Relaxed 13 PRO N nan nan 0 False missing_experiment AF3 Relaxed 13 PRO HN nan nan 0 False missing_experiment AF3 Relaxed 13 PRO HA 4.465654006481171 0.09293597076669614 1000 False missing_experiment AF3 Relaxed 13 PRO CA 63.34855504989624 0.5001533224521983 1000 62.775 0.25 0.5735550498962425 True matched AF3 Relaxed 13 PRO CB 31.680754972457887 0.7063493973554418 1000 32.103 0.25 -0.42224502754211457 True matched AF3 Relaxed 13 PRO C 176.1430651550293 0.5032357603577807 1000 176.989 0.02 -0.8459348449707136 True matched AF3 Relaxed 14 LEU N 120.4039048690796 2.5138166021357415 1000 122.452 0.11 -2.0480951309204016 True matched AF3 Relaxed 14 LEU HN 7.737144995689392 0.40719318712451125 1000 8.363 0.02 -0.6258550043106075 True matched AF3 Relaxed 14 LEU HA 4.477347004413605 0.20165901442708511 1000 False missing_experiment AF3 Relaxed 14 LEU CA 54.363483951568604 0.689453038124622 1000 55.381 0.25 -1.0175160484313963 True matched AF3 Relaxed 14 LEU CB 43.463528018951415 1.473032840203322 1000 42.503 0.25 0.9605280189514147 True matched AF3 Relaxed 14 LEU C 176.15238404846193 0.9280678195887614 1000 177.622 0.02 -1.4696159515380884 True matched AF3 Relaxed 15 SER N 118.18742888641357 2.0078052351830706 1000 116.709 0.11 1.4784288864135675 True matched AF3 Relaxed 15 SER HN 8.2989960064888 0.23917162470634887 1000 8.349 0.02 -0.05000399351120066 True matched AF3 Relaxed 15 SER HA 4.62595299744606 0.16963797497904518 1000 False missing_experiment AF3 Relaxed 15 SER CA 57.47192004776001 0.6376833949297044 1000 58.184 0.25 -0.7120799522399892 True matched AF3 Relaxed 15 SER CB 65.33539500045777 0.7008249571539364 1000 63.871 0.25 1.4643950004577633 True matched AF3 Relaxed 15 SER C 175.35020686340332 0.6031704790965507 1000 174.657 0.02 0.6932068634033044 True matched AF3 Relaxed 16 GLN N 122.24381203460693 1.6334554013577092 1000 122.501 0.11 -0.2571879653930722 True matched AF3 Relaxed 16 GLN HN 9.001109000682831 0.13520635176314716 1000 8.513 0.02 0.48810900068283125 True matched AF3 Relaxed 16 GLN HA 4.158594998121262 0.17222753549403946 1000 False missing_experiment AF3 Relaxed 16 GLN CA 59.09950394439697 0.39176293746647883 1000 56.051 0.25 3.0485039443969697 True matched AF3 Relaxed 16 GLN CB 28.239138019561768 0.31788203805522863 1000 29.604 0.25 -1.3648619804382314 True matched AF3 Relaxed 16 GLN C 177.66816485595703 0.35193754110343906 1000 176.063 0.02 1.6051648559570424 True matched AF3 Relaxed 17 GLU N 118.68158598327636 1.3989647338131732 1000 121.933 0.11 -3.2514140167236434 True matched AF3 Relaxed 17 GLU HN 8.53759098482132 0.3464581814019712 1000 8.546 0.02 -0.00840901517867998 True matched AF3 Relaxed 17 GLU HA 4.185084998369217 0.09745183945057512 1000 False missing_experiment AF3 Relaxed 17 GLU CA 59.190406902313235 0.7056123395935717 1000 57.067 0.25 2.123406902313235 True matched AF3 Relaxed 17 GLU CB 28.759861974716188 0.38313825310992766 1000 30.255 0.25 -1.4951380252838113 True matched AF3 Relaxed 17 GLU C 178.70740580749512 0.41069803341556943 1000 176.626 0.02 2.0814058074951163 True matched AF3 Relaxed 18 THR N 116.35853702545165 1.8682411924400049 1000 114.933 0.11 1.4255370254516464 True matched AF3 Relaxed 18 THR HN 7.787922004699707 0.2670427473675276 1000 8.127 0.02 -0.33907799530029337 True matched AF3 Relaxed 18 THR HA 4.0902820036411285 0.11454331885238812 1000 False missing_experiment AF3 Relaxed 18 THR CA 65.97187203216552 0.6813303148235285 1000 62.023 0.25 3.948872032165518 True matched AF3 Relaxed 18 THR CB 68.6405850830078 0.26252492710429365 1000 69.986 0.25 -1.3454149169921976 True matched AF3 Relaxed 18 THR C 176.27763305664064 0.40146569805682125 1000 174.411 0.02 1.8666330566406373 True matched AF3 Relaxed 19 PHE N 121.66856605529784 1.1619293913581215 1000 122.317 0.11 -0.6484339447021483 True matched AF3 Relaxed 19 PHE HN 8.019532008171081 0.3704482532470953 1000 8.261 0.02 -0.24146799182891776 True matched AF3 Relaxed 19 PHE HA 4.319513000965118 0.18498037563332406 1000 False missing_experiment AF3 Relaxed 19 PHE CA 60.880738037109374 0.8580474470780007 1000 58.082 0.25 2.7987380371093735 True matched AF3 Relaxed 19 PHE CB 39.14242498779297 0.566559799056707 1000 39.456 0.25 -0.313575012207032 True matched AF3 Relaxed 19 PHE C 177.02842785644532 0.507434090866944 1000 175.917 0.02 1.1114278564453173 True matched AF3 Relaxed 20 SER N 115.43231395721436 0.9759290843323359 1000 116.753 0.11 -1.3206860427856384 True matched AF3 Relaxed 20 SER HN 8.237684994220734 0.30156734460842943 1000 8.119 0.02 0.1186849942207342 True matched AF3 Relaxed 20 SER HA 4.230454997777938 0.23947898709080342 1000 False missing_experiment AF3 Relaxed 20 SER CA 62.167778968811035 0.3683713127670057 1000 58.753 0.25 3.414778968811035 True matched AF3 Relaxed 20 SER CB 63.0423889503479 0.20407018360287632 1000 63.912 0.25 -0.8696110496521001 True matched AF3 Relaxed 20 SER C 176.4862470703125 0.4195809261975943 1000 174.511 0.02 1.9752470703124914 True matched AF3 Relaxed 21 ASP N 121.14545988464356 0.9535940318771089 1000 122.139 0.11 -0.9935401153564385 True matched AF3 Relaxed 21 ASP HN 8.05787800359726 0.2780567417602298 1000 8.295 0.02 -0.23712199640274 True matched AF3 Relaxed 21 ASP HA 4.637946007251739 0.13620830369777592 1000 False missing_experiment AF3 Relaxed 21 ASP CA 55.88347700119019 0.8000637330072464 1000 54.954 0.25 0.9294770011901861 True matched AF3 Relaxed 21 ASP CB 41.17715107727051 0.5696952151048426 1000 40.837 0.25 0.3401510772705052 True matched AF3 Relaxed 21 ASP C 177.4325500946045 0.7087703965799079 1000 176.884 0.02 0.5485500946045079 True matched AF3 Relaxed 22 LEU N 120.19553691101075 0.9588762828930936 1000 121.145 0.11 -0.9494630889892477 True matched AF3 Relaxed 22 LEU HN 7.692204992294312 0.31445218238883654 1000 7.959 0.02 -0.26679500770568776 True matched AF3 Relaxed 22 LEU HA 4.197214002132416 0.14892404172504256 1000 False missing_experiment AF3 Relaxed 22 LEU CA 57.13787798690796 0.5904892229336046 1000 56.579 0.25 0.5588779869079588 True matched AF3 Relaxed 22 LEU CB 42.09362901306152 0.31508088322107386 1000 41.832 0.25 0.26162901306152264 True matched AF3 Relaxed 22 LEU C 178.73189501953124 0.4963340971088213 1000 178.050 0.02 0.6818950195312254 True matched AF3 Relaxed 23 TRP N 121.28384004974365 1.3874291050440053 1000 119.387 0.11 1.8968400497436448 True matched AF3 Relaxed 23 TRP HN 8.005753006458283 0.3571808394331498 1000 7.869 0.02 0.13675300645828337 True matched AF3 Relaxed 23 TRP HA 4.281900991916657 0.13547465125458652 1000 False missing_experiment AF3 Relaxed 23 TRP CA 59.713096965789795 0.908548821834942 1000 57.757 0.25 1.956096965789797 True matched AF3 Relaxed 23 TRP CB 28.974856035232545 0.41363406681640097 1000 28.934 0.25 0.040856035232543775 True matched AF3 Relaxed 23 TRP C 177.5141208190918 0.6055955862401586 1000 176.743 0.02 0.7711208190918057 True matched AF3 Relaxed 24 LYS N 117.54464295959473 1.2713746578756855 1000 120.522 0.11 -2.9773570404052805 True matched AF3 Relaxed 24 LYS HN 7.741245005130768 0.32791959320639036 1000 7.595 0.02 0.1462450051307682 True matched AF3 Relaxed 24 LYS HA 3.85681999373436 0.2521111390688886 1000 False missing_experiment AF3 Relaxed 24 LYS CA 57.73919901657104 0.670868836487328 1000 56.945 0.25 0.7941990165710422 True matched AF3 Relaxed 24 LYS CB 31.766982976913454 0.6960255508539038 1000 32.895 0.25 -1.1280170230865494 True matched AF3 Relaxed 24 LYS C 176.85226081848145 0.49987951490282956 1000 176.198 0.02 0.6542608184814469 True matched AF3 Relaxed 25 LEU N 118.17865592956542 0.7478161881544023 1000 120.787 0.11 -2.6083440704345833 True matched AF3 Relaxed 25 LEU HN 7.51682600402832 0.22883272440594837 1000 7.842 0.02 -0.32517399597167973 True matched AF3 Relaxed 25 LEU HA 4.335115005016327 0.0757601952158279 1000 False missing_experiment AF3 Relaxed 25 LEU CA 54.44042598724365 0.41304687580826155 1000 54.975 0.25 -0.5345740127563516 True matched AF3 Relaxed 25 LEU CB 42.95252702331543 0.5480912527851919 1000 42.320 0.25 0.6325270233154328 True matched AF3 Relaxed 25 LEU C 176.73903309631348 0.4109025151405526 1000 177.095 0.02 -0.3559669036865216 True matched AF3 Relaxed 26 LEU N 121.90598889923096 1.0139070315659648 1000 123.711 0.11 -1.8050111007690361 True matched AF3 Relaxed 26 LEU HN 7.615948001861573 0.17447653560953244 1000 7.934 0.02 -0.31805199813842755 True matched AF3 Relaxed 26 LEU HA 4.549505997180939 0.14442815318323646 1000 False missing_experiment AF3 Relaxed 26 LEU CA 53.12138199234009 0.867921353735085 1000 53.025 0.25 0.09638199234009193 True matched AF3 Relaxed 26 LEU CB 42.08837800598145 0.6940804477133988 1000 41.548 0.25 0.5403780059814451 True matched AF3 Relaxed 26 LEU C 175.69471711730958 0.43842030720333625 1000 175.530 0.02 0.1647171173095785 True matched AF3 Relaxed 27 PRO N nan nan 0 False missing_experiment AF3 Relaxed 27 PRO HN nan nan 0 False missing_experiment AF3 Relaxed 27 PRO HA 4.5457100028991695 0.09324786166584284 1000 False missing_experiment AF3 Relaxed 27 PRO CA 62.931087985992434 0.447525844305675 1000 63.668 0.25 -0.7369120140075651 True matched AF3 Relaxed 27 PRO CB 31.861257984161377 0.5109575722687045 1000 32.021 0.25 -0.15974201583862424 True matched AF3 Relaxed 27 PRO C 176.16024298095704 0.36313883876097447 1000 177.487 0.02 -1.326757019042958 True matched AF3 Relaxed 28 GLU N 120.2280299911499 0.02782999816632024 1000 119.825 0.11 0.4030299911498929 True matched AF3 Relaxed 28 GLU HN 8.370311989307403 0.033970917300075336 1000 8.727 0.02 -0.35668801069259715 True matched AF3 Relaxed 28 GLU HA 4.390437004089356 0.027068372787966224 1000 False missing_experiment AF3 Relaxed 28 GLU CA 56.440480033874515 0.03119173455255391 1000 57.189 0.25 -0.7485199661254853 True matched AF3 Relaxed 28 GLU CB 29.754738971710204 0.041316542164711915 1000 29.950 0.25 -0.19526102828979575 True matched AF3 Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction Boltz Original 1 MET N nan nan 0 False missing_experiment Boltz Original 1 MET HN nan nan 0 False missing_experiment Boltz Original 1 MET HA 4.479999999999925 7.552806834143532e-14 1148 False missing_experiment Boltz Original 1 MET CA 55.29974651567945 0.06618833420670915 1148 55.706 0.25 -0.4062534843205512 True matched Boltz Original 1 MET CB 32.589627177700336 0.11140882883397721 1148 32.671 0.25 -0.08137282229966303 True matched Boltz Original 1 MET C 176.3061210801399 0.06860777780338281 1148 176.163 0.02 0.14312108013987768 True matched Boltz Original 2 GLU N 122.36742421602786 0.8020978620482354 1148 121.536 0.11 0.8314242160278553 True matched Boltz Original 2 GLU HN 8.85736933797909 0.12640378072235023 1148 8.358 0.02 0.4993693379790898 True matched Boltz Original 2 GLU HA 4.58472299651568 0.12518994779056627 1148 False missing_experiment Boltz Original 2 GLU CA 56.15531097560971 0.42582130497173926 1148 56.478 0.25 -0.3226890243902929 True matched Boltz Original 2 GLU CB 30.849186411149816 0.48892860120635784 1148 30.498 0.25 0.35118641114981486 True matched Boltz Original 2 GLU C 175.8408266550521 0.3131896101615214 1148 176.171 0.02 -0.3301733449478945 True matched Boltz Original 3 GLU N 123.65156707317061 1.2063521558119141 1148 123.308 0.11 0.343567073170604 True matched Boltz Original 3 GLU HN 8.603139372822291 0.14241218007095405 1148 8.359 0.02 0.24413937282229092 True matched Boltz Original 3 GLU HA 4.5010426829268315 0.08687092163521203 1148 False missing_experiment Boltz Original 3 GLU CA 54.595398083623664 0.3292715945507834 1148 54.304 0.25 0.2913980836236618 True matched Boltz Original 3 GLU CB 30.202267421602787 0.41930690403890203 1148 29.868 0.25 0.3342674216027888 True matched Boltz Original 3 GLU C 174.43504616724746 0.23560152577563673 1148 174.464 0.02 -0.028953832752534936 True matched Boltz Original 4 PRO N nan nan 0 False missing_experiment Boltz Original 4 PRO HN nan nan 0 False missing_experiment Boltz Original 4 PRO HA 4.416845818815325 0.04956710342429471 1148 False missing_experiment Boltz Original 4 PRO CA 63.08123257839727 0.3777182641839566 1148 63.282 0.25 -0.20076742160272687 True matched Boltz Original 4 PRO CB 32.141587979094034 0.32242479589772133 1148 32.204 0.25 -0.06241202090596687 True matched Boltz Original 4 PRO C 176.49723606271777 0.44620318912679763 1148 176.995 0.02 -0.49776393728222956 True matched Boltz Original 5 GLN N 120.34498693379793 0.5804562592296001 1148 120.976 0.11 -0.6310130662020725 True matched Boltz Original 5 GLN HN 8.717636759581879 0.13026002942122164 1148 8.575 0.02 0.1426367595818796 True matched Boltz Original 5 GLN HA 4.620999128919861 0.16100314617060843 1148 False missing_experiment Boltz Original 5 GLN CA 55.51107926829268 0.5798505232231098 1148 55.686 0.25 -0.17492073170731715 True matched Boltz Original 5 GLN CB 29.838580139372844 0.8525344591476388 1148 29.746 0.25 0.0925801393728456 True matched Boltz Original 5 GLN C 176.09212804878035 0.7238862413920762 1148 176.034 0.02 0.05812804878036104 True matched Boltz Original 6 SER N 116.53910191637625 1.0153929320798352 1148 117.753 0.11 -1.2138980836237465 True matched Boltz Original 6 SER HN 8.768594947735192 0.19927518759979979 1148 8.400 0.02 0.3685949477351915 True matched Boltz Original 6 SER HA 4.565016550522654 0.1385535902525608 1148 False missing_experiment Boltz Original 6 SER CA 57.72389285714283 0.6019498134179927 1148 58.306 0.25 -0.5821071428571685 True matched Boltz Original 6 SER CB 63.85946428571438 0.602024714794844 1148 64.034 0.25 -0.17453571428562498 True matched Boltz Original 6 SER C 174.25362195121957 0.5783423670904442 1148 173.796 0.02 0.45762195121957916 True matched Boltz Original 7 ASP N 122.93393989547033 1.190343633523494 1148 123.666 0.11 -0.7320601045296655 True matched Boltz Original 7 ASP HN 8.55029878048779 0.1312996284493749 1148 8.456 0.02 0.09429878048779017 True matched Boltz Original 7 ASP HA 4.895964285714283 0.11635670861859655 1148 False missing_experiment Boltz Original 7 ASP CA 52.15328745644605 0.5567733852858466 1148 52.368 0.25 -0.21471254355395075 True matched Boltz Original 7 ASP CB 42.098854529616695 0.5411105783321482 1148 41.250 0.25 0.8488545296166947 True matched Boltz Original 7 ASP C 174.6345313588847 0.38019165757210993 1148 174.768 0.02 -0.1334686411153143 True matched Boltz Original 8 PRO N nan nan 0 False missing_experiment Boltz Original 8 PRO HN nan nan 0 False missing_experiment Boltz Original 8 PRO HA 4.347089721254354 0.06591007161495428 1148 False missing_experiment Boltz Original 8 PRO CA 63.72729616724735 0.3716641565327607 1148 63.486 0.25 0.2412961672473557 True matched Boltz Original 8 PRO CB 31.955339721254283 0.2213983252046176 1148 32.204 0.25 -0.24866027874571728 True matched Boltz Original 8 PRO C 178.26132839721268 0.41246148344048766 1148 177.153 0.02 1.1083283972126878 True matched Boltz Original 9 SER N 114.3314703832753 0.8242652547009749 1148 116.051 0.11 -1.7195296167246994 True matched Boltz Original 9 SER HN 8.30164024390244 0.12567476610624842 1148 8.541 0.02 -0.23935975609756 True matched Boltz Original 9 SER HA 4.50469860627178 0.08822535797920006 1148 False missing_experiment Boltz Original 9 SER CA 58.48334756097564 0.49697541362369557 1148 58.996 0.25 -0.5126524390243645 True matched Boltz Original 9 SER CB 62.481500871080094 0.5223694632592045 1148 63.871 0.25 -1.3894991289199083 True matched Boltz Original 9 SER C 175.78154181184695 0.4975425809635461 1148 174.587 0.02 1.1945418118469604 True matched Boltz Original 10 VAL N 121.32428048780483 1.4466951737035683 1148 121.109 0.11 0.2152804878048329 True matched Boltz Original 10 VAL HN 8.634271777003493 0.17997647140027492 1148 7.890 0.02 0.744271777003493 True matched Boltz Original 10 VAL HA 4.428134146341463 0.12690495568765203 1148 False missing_experiment Boltz Original 10 VAL CA 62.224493902438894 0.732869225455185 1148 61.942 0.25 0.28249390243889394 True matched Boltz Original 10 VAL CB 32.33950435540073 0.784793732293904 1148 32.915 0.25 -0.5754956445992718 True matched Boltz Original 10 VAL C 176.41672909407686 0.48744359631522144 1148 175.852 0.02 0.5647290940768528 True matched Boltz Original 11 GLU N 124.04079268292685 2.7932610498556016 1148 126.173 0.11 -2.132207317073153 True matched Boltz Original 11 GLU HN 8.754657665505224 0.20932016095985034 1148 8.357 0.02 0.39765766550522486 True matched Boltz Original 11 GLU HA 4.696179442508711 0.12350623432458196 1148 False missing_experiment Boltz Original 11 GLU CA 54.697824041811906 0.405539227343147 1148 54.264 0.25 0.4338240418119028 True matched Boltz Original 11 GLU CB 30.990524390243912 0.6537757096800333 1148 29.807 0.25 1.1835243902439139 True matched Boltz Original 11 GLU C 174.1347273519163 0.3449044744255581 1148 173.930 0.02 0.20472735191629 True matched Boltz Original 12 PRO N nan nan 0 False missing_experiment Boltz Original 12 PRO HN nan nan 0 False missing_experiment Boltz Original 12 PRO HA 4.575013937282234 0.09303800058443505 1148 False missing_experiment Boltz Original 12 PRO CA 62.057751742160264 0.41895928087252127 1148 False missing_experiment Boltz Original 12 PRO CB 31.60773693379793 0.29550143654621686 1148 False missing_experiment Boltz Original 12 PRO C 174.86720121951225 0.18837837907740293 1148 False missing_experiment Boltz Original 13 PRO N nan nan 0 False missing_experiment Boltz Original 13 PRO HN nan nan 0 False missing_experiment Boltz Original 13 PRO HA 4.541979965156804 0.06958601295485019 1148 False missing_experiment Boltz Original 13 PRO CA 63.27203745644604 0.3519459410386443 1148 62.775 0.25 0.49703745644604425 True matched Boltz Original 13 PRO CB 32.15080313588854 0.3030161365278428 1148 32.103 0.25 0.04780313588853602 True matched Boltz Original 13 PRO C 177.23629006968622 0.6046307947115415 1148 176.989 0.02 0.24729006968621547 True matched Boltz Original 14 LEU N 121.96719599303135 0.986614409010747 1148 122.452 0.11 -0.4848040069686448 True matched Boltz Original 14 LEU HN 8.590951219512199 0.21523018895046278 1148 8.363 0.02 0.22795121951219954 True matched Boltz Original 14 LEU HA 4.529581881533096 0.1768292890739518 1148 False missing_experiment Boltz Original 14 LEU CA 54.682483449477374 0.7770810385286396 1148 55.381 0.25 -0.6985165505226263 True matched Boltz Original 14 LEU CB 42.64589285714287 0.8894473347585029 1148 42.503 0.25 0.14289285714286848 True matched Boltz Original 14 LEU C 178.03248257839738 0.36289567847227294 1148 177.622 0.02 0.4104825783973638 True matched Boltz Original 15 SER N 116.20249825783985 1.2729462872466075 1148 116.709 0.11 -0.5065017421601539 True matched Boltz Original 15 SER HN 8.881826655052278 0.2281117525885302 1148 8.349 0.02 0.5328266550522773 True matched Boltz Original 15 SER HA 4.525650696864111 0.07252118669141008 1148 False missing_experiment Boltz Original 15 SER CA 57.78780574912896 0.2267726368904452 1148 58.184 0.25 -0.39619425087104077 True matched Boltz Original 15 SER CB 64.3637439024391 0.29858524987834645 1148 63.871 0.25 0.49274390243909494 True matched Boltz Original 15 SER C 175.3741646341463 0.1990614549474903 1148 174.657 0.02 0.7171646341462861 True matched Boltz Original 16 GLN N 120.91211672473874 1.0165198027914688 1148 122.501 0.11 -1.5888832752612672 True matched Boltz Original 16 GLN HN 9.194464285714265 0.06620611613119459 1148 8.513 0.02 0.6814642857142648 True matched Boltz Original 16 GLN HA 4.182284843205573 0.05285914114256267 1148 False missing_experiment Boltz Original 16 GLN CA 57.679095818815306 0.30758119470125894 1148 56.051 0.25 1.6280958188153036 True matched Boltz Original 16 GLN CB 28.484547038327527 0.18722439310612915 1148 29.604 0.25 -1.1194529616724722 True matched Boltz Original 16 GLN C 178.05400087108015 0.21667810869842666 1148 176.063 0.02 1.9910008710801606 True matched Boltz Original 17 GLU N 119.85815592334495 0.5426255563565591 1148 121.933 0.11 -2.0748440766550544 True matched Boltz Original 17 GLU HN 8.650907665505235 0.07906509194458307 1148 8.546 0.02 0.10490766550523567 True matched Boltz Original 17 GLU HA 4.201621951219511 0.02025547224604833 1148 False missing_experiment Boltz Original 17 GLU CA 58.03269686411151 0.11733699672724056 1148 57.067 0.25 0.9656968641115071 True matched Boltz Original 17 GLU CB 29.798597560975615 0.15978616397565984 1148 30.255 0.25 -0.4564024390243837 True matched Boltz Original 17 GLU C 178.36917595818804 0.16963826958501893 1148 176.626 0.02 1.7431759581880328 True matched Boltz Original 18 THR N 115.14810627177704 0.366021944252892 1148 114.933 0.11 0.21510627177703157 True matched Boltz Original 18 THR HN 8.452092334494765 0.04366143632852548 1148 8.127 0.02 0.32509233449476405 True matched Boltz Original 18 THR HA 4.207283972125446 0.018432974913348995 1148 False missing_experiment Boltz Original 18 THR CA 63.28691724738673 0.15611006763108465 1148 62.023 0.25 1.263917247386729 True matched Boltz Original 18 THR CB 68.4957508710802 0.047584850559058686 1148 69.986 0.25 -1.4902491289197997 True matched Boltz Original 18 THR C 176.2002952961673 0.09759043330080559 1148 174.411 0.02 1.789295296167296 True matched Boltz Original 19 PHE N 122.03222125435522 0.19542826644236425 1148 122.317 0.11 -0.2847787456447719 True matched Boltz Original 19 PHE HN 8.344980836236932 0.024912078673130205 1148 8.261 0.02 0.08398083623693253 True matched Boltz Original 19 PHE HA 4.411233449477348 0.03982625118962011 1148 False missing_experiment Boltz Original 19 PHE CA 59.15473780487811 0.20315254699109678 1148 58.082 0.25 1.072737804878109 True matched Boltz Original 19 PHE CB 38.555849303135865 0.13789797262438908 1148 39.456 0.25 -0.900150696864138 True matched Boltz Original 19 PHE C 178.4071175958188 0.08886651885337038 1148 175.917 0.02 2.4901175958187878 True matched Boltz Original 20 SER N 115.86912108013924 0.12380396296811001 1148 116.753 0.11 -0.8838789198607628 True matched Boltz Original 20 SER HN 8.74768205574912 0.022205801105677905 1148 8.119 0.02 0.6286820557491204 True matched Boltz Original 20 SER HA 4.276198606271778 0.006871641544441003 1148 False missing_experiment Boltz Original 20 SER CA 59.701958188153306 0.1308134165532437 1148 58.753 0.25 0.9489581881533056 True matched Boltz Original 20 SER CB 62.8032613240418 0.05262528624351836 1148 63.912 0.25 -1.1087386759582003 True matched Boltz Original 20 SER C 176.2384599303135 0.0842138016674031 1148 174.511 0.02 1.7274599303135005 True matched Boltz Original 21 ASP N 121.83340418118456 0.1872472465786627 1148 122.139 0.11 -0.3055958188154335 True matched Boltz Original 21 ASP HN 8.663060104529606 0.049864671725593376 1148 8.295 0.02 0.36806010452960614 True matched Boltz Original 21 ASP HA 4.616631533101042 0.016637714599092513 1148 False missing_experiment Boltz Original 21 ASP CA 54.734220383275215 0.12426805140091773 1148 54.954 0.25 -0.21977961672478585 True matched Boltz Original 21 ASP CB 40.437887630662075 0.048961299098134396 1148 40.837 0.25 -0.39911236933792793 True matched Boltz Original 21 ASP C 178.19188850174214 0.029345545716116167 1148 176.884 0.02 1.3078885017421555 True matched Boltz Original 22 LEU N 121.07327874564436 0.3061312874040025 1148 121.145 0.11 -0.07172125435563714 True matched Boltz Original 22 LEU HN 8.450389372822306 0.0371598604860307 1148 7.959 0.02 0.4913893728223062 True matched Boltz Original 22 LEU HA 4.246652439024382 0.013909294001073873 1148 False missing_experiment Boltz Original 22 LEU CA 55.71221341463415 0.3847694207714282 1148 56.579 0.25 -0.8667865853658512 True matched Boltz Original 22 LEU CB 41.651297909407695 0.18134101386232498 1148 41.832 0.25 -0.18070209059230535 True matched Boltz Original 22 LEU C 179.18644337979083 0.2204854699878227 1148 178.050 0.02 1.136443379790819 True matched Boltz Original 23 TRP N 122.59322038327521 0.5495427910550287 1148 119.387 0.11 3.206220383275209 True matched Boltz Original 23 TRP HN 8.330594947735191 0.06033644879995638 1148 7.869 0.02 0.4615949477351915 True matched Boltz Original 23 TRP HA 4.438630662020911 0.028782977761219266 1148 False missing_experiment Boltz Original 23 TRP CA 58.63518379790933 0.2286664539952755 1148 57.757 0.25 0.8781837979093297 True matched Boltz Original 23 TRP CB 29.253477351916363 0.08972122090891348 1148 28.934 0.25 0.31947735191636184 True matched Boltz Original 23 TRP C 178.5428501742162 0.12994921625600286 1148 176.743 0.02 1.7998501742162034 True matched Boltz Original 24 LYS N 120.59925435540072 0.12156851867379012 1148 120.522 0.11 0.07725435540071146 True matched Boltz Original 24 LYS HN 8.497792682926836 0.033312719471466856 1148 7.595 0.02 0.9027926829268358 True matched Boltz Original 24 LYS HA 4.202907665505228 0.022400924219310593 1148 False missing_experiment Boltz Original 24 LYS CA 57.168621080139275 0.12566143803676894 1148 56.945 0.25 0.2236210801392744 True matched Boltz Original 24 LYS CB 32.17365940766551 0.061049166433535244 1148 32.895 0.25 -0.7213405923344922 True matched Boltz Original 24 LYS C 178.33536759581887 0.08156671455255729 1148 176.198 0.02 2.1373675958188585 True matched Boltz Original 25 LEU N 122.0442020905923 0.13998212961977727 1148 120.787 0.11 1.257202090592287 True matched Boltz Original 25 LEU HN 8.307556620209057 0.020873541268724177 1148 7.842 0.02 0.46555662020905775 True matched Boltz Original 25 LEU HA 4.427444250871085 0.034906169306756815 1148 False missing_experiment Boltz Original 25 LEU CA 54.73912891986067 0.21295755789492182 1148 54.975 0.25 -0.2358710801393329 True matched Boltz Original 25 LEU CB 41.93648519163761 0.07375855866735151 1148 42.320 0.25 -0.38351480836239205 True matched Boltz Original 25 LEU C 177.36516027874566 0.1033271714835566 1148 177.095 0.02 0.2701602787456636 True matched Boltz Original 26 LEU N 122.2193109756098 0.6459297483008004 1148 123.711 0.11 -1.4916890243901975 True matched Boltz Original 26 LEU HN 8.101290940766555 0.05333043205569132 1148 7.934 0.02 0.16729094076655482 True matched Boltz Original 26 LEU HA 4.5797369337979115 0.08010009297443711 1148 False missing_experiment Boltz Original 26 LEU CA 52.82879355400698 0.2062382301147246 1148 53.025 0.25 -0.1962064459930204 True matched Boltz Original 26 LEU CB 41.889517421602775 0.32848259446465594 1148 41.548 0.25 0.34151742160277365 True matched Boltz Original 26 LEU C 174.92685104529625 0.19686162216486533 1148 175.530 0.02 -0.6031489547037552 True matched Boltz Original 27 PRO N nan nan 0 False missing_experiment Boltz Original 27 PRO HN nan nan 0 False missing_experiment Boltz Original 27 PRO HA 4.540654181184674 0.0453904470698974 1148 False missing_experiment Boltz Original 27 PRO CA 62.78135540069684 0.20453783784711604 1148 63.668 0.25 -0.8866445993031604 True matched Boltz Original 27 PRO CB 32.364094076655036 0.23106655751428112 1148 32.021 0.25 0.343094076655035 True matched Boltz Original 27 PRO C 176.59456184668997 0.17100476601261072 1148 177.487 0.02 -0.8924381533100245 True matched Boltz Original 28 GLU N 120.11887020905907 0.04382080556231983 1148 119.825 0.11 0.29387020905906525 True matched Boltz Original 28 GLU HN 8.359999999999964 3.5542620395969565e-14 1148 8.727 0.02 -0.3670000000000364 True matched Boltz Original 28 GLU HA 4.350000000000013 1.3328482648488587e-14 1148 False missing_experiment Boltz Original 28 GLU CA 56.334189024390184 0.038133020764563146 1148 57.189 0.25 -0.8548109756098157 True matched Boltz Original 28 GLU CB 29.655437282229986 0.03620204472302334 1148 29.950 0.25 -0.2945627177700132 True matched Boltz Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction Boltz Relaxed 1 MET N nan nan 0 False missing_experiment Boltz Relaxed 1 MET HN nan nan 0 False missing_experiment Boltz Relaxed 1 MET HA 4.463221253626022 0.15248717030950534 1148 False missing_experiment Boltz Relaxed 1 MET CA 55.28490666645329 0.102604753928595 1148 55.706 0.25 -0.42109333354671463 True matched Boltz Relaxed 1 MET CB 32.57840158382775 0.11372628479187 1148 32.671 0.25 -0.09259841617225106 True matched Boltz Relaxed 1 MET C 176.2926977868695 0.09202507656248456 1148 176.163 0.02 0.1296977868694853 True matched Boltz Relaxed 2 GLU N 121.23163071742042 2.0259669479812192 1148 121.536 0.11 -0.30436928257958584 True matched Boltz Relaxed 2 GLU HN 8.303523521805474 0.2578561594566506 1148 8.358 0.02 -0.054476478194526834 True matched Boltz Relaxed 2 GLU HA 4.4632099335201945 0.1764199182167773 1148 False missing_experiment Boltz Relaxed 2 GLU CA 56.042415505917646 0.6638240012551185 1148 56.478 0.25 -0.4355844940823559 True matched Boltz Relaxed 2 GLU CB 30.347587110273516 0.9050256845805494 1148 30.498 0.25 -0.1504128897264856 True matched Boltz Relaxed 2 GLU C 175.53054354996632 0.49921294169021263 1148 176.171 0.02 -0.6404564500336676 True matched Boltz Relaxed 3 GLU N 122.04499301843943 1.8096238008548404 1148 123.308 0.11 -1.2630069815605793 True matched Boltz Relaxed 3 GLU HN 8.287372828360635 0.27161099746361334 1148 8.359 0.02 -0.07162717163936527 True matched Boltz Relaxed 3 GLU HA 4.343294426954582 0.2707108145592588 1148 False missing_experiment Boltz Relaxed 3 GLU CA 54.74061327611943 0.9044475458433077 1148 54.304 0.25 0.4366132761194308 True matched Boltz Relaxed 3 GLU CB 29.62782667239784 0.7059849501654897 1148 29.868 0.25 -0.24017332760215737 True matched Boltz Relaxed 3 GLU C 174.9810428287094 0.5072571284900561 1148 174.464 0.02 0.5170428287094069 True matched Boltz Relaxed 4 PRO N nan nan 0 False missing_experiment Boltz Relaxed 4 PRO HN nan nan 0 False missing_experiment Boltz Relaxed 4 PRO HA 4.271601044134811 0.40969767508057403 1148 False missing_experiment Boltz Relaxed 4 PRO CA 62.867514816310766 0.5063965061392485 1148 63.282 0.25 -0.41448518368923004 True matched Boltz Relaxed 4 PRO CB 31.973043534813858 0.7037505178752176 1148 32.204 0.25 -0.23095646518614288 True matched Boltz Relaxed 4 PRO C 176.18016458969913 0.5586491278746482 1148 176.995 0.02 -0.8148354103008728 True matched Boltz Relaxed 5 GLN N 121.79616115982108 2.062750376907337 1148 120.976 0.11 0.8201611598210832 True matched Boltz Relaxed 5 GLN HN 8.31889722114656 0.3475335910560625 1148 8.575 0.02 -0.2561027788534389 True matched Boltz Relaxed 5 GLN HA 4.348005232495298 0.23589234557685063 1148 False missing_experiment Boltz Relaxed 5 GLN CA 55.65238416984106 0.8869498610430736 1148 55.686 0.25 -0.03361583015893643 True matched Boltz Relaxed 5 GLN CB 29.57166114667567 1.2770615600153061 1148 29.746 0.25 -0.17433885332432908 True matched Boltz Relaxed 5 GLN C 175.73015387133023 0.6808817943736006 1148 176.034 0.02 -0.30384612866976113 True matched Boltz Relaxed 6 SER N 117.2466150011335 2.4111284193302653 1148 117.753 0.11 -0.5063849988664941 True matched Boltz Relaxed 6 SER HN 8.261095821649771 0.3823383284574083 1148 8.400 0.02 -0.13890417835022895 True matched Boltz Relaxed 6 SER HA 4.293519168676815 0.5374315103357601 1148 False missing_experiment Boltz Relaxed 6 SER CA 58.192774340666126 0.8246852558750841 1148 58.306 0.25 -0.11322565933387096 True matched Boltz Relaxed 6 SER CB 63.83191028953845 0.7927163876629453 1148 64.034 0.25 -0.2020897104615571 True matched Boltz Relaxed 6 SER C 173.8889111375975 0.6030660889995135 1148 173.796 0.02 0.09291113759749692 True matched Boltz Relaxed 7 ASP N 123.47074656204065 2.232191894005908 1148 123.666 0.11 -0.19525343795935157 True matched Boltz Relaxed 7 ASP HN 8.314170743945583 0.36220883607359605 1148 8.456 0.02 -0.14182925605441632 True matched Boltz Relaxed 7 ASP HA 4.8313057551400584 0.17200744906200946 1148 False missing_experiment Boltz Relaxed 7 ASP CA 52.09146782745468 0.8967333378591441 1148 52.368 0.25 -0.27653217254532336 True matched Boltz Relaxed 7 ASP CB 41.852011348312324 0.7372283578611009 1148 41.250 0.25 0.602011348312324 True matched Boltz Relaxed 7 ASP C 175.61873503096842 0.7541145734706367 1148 174.768 0.02 0.8507350309684227 True matched Boltz Relaxed 8 PRO N nan nan 0 False missing_experiment Boltz Relaxed 8 PRO HN nan nan 0 False missing_experiment Boltz Relaxed 8 PRO HA 4.507885021199748 0.19902584592611144 1148 False missing_experiment Boltz Relaxed 8 PRO CA 63.74381359113634 0.5303203555614369 1148 63.486 0.25 0.2578135911363404 True matched Boltz Relaxed 8 PRO CB 31.850644610069356 0.4027605209453497 1148 32.204 0.25 -0.35335538993064475 True matched Boltz Relaxed 8 PRO C 176.91239615516795 0.46666676466861556 1148 177.153 0.02 -0.24060384483203734 True matched Boltz Relaxed 9 SER N 114.25815236028478 1.7405546505656286 1148 116.051 0.11 -1.7928476397152195 True matched Boltz Relaxed 9 SER HN 8.474894605031828 0.298424027040294 1148 8.541 0.02 -0.06610539496817225 True matched Boltz Relaxed 9 SER HA 4.40271776478465 0.09984303216198036 1148 False missing_experiment Boltz Relaxed 9 SER CA 59.661682906466496 0.8996978877154311 1148 58.996 0.25 0.6656829064664933 True matched Boltz Relaxed 9 SER CB 63.716154251364465 0.5749464053539525 1148 63.871 0.25 -0.15484574863553746 True matched Boltz Relaxed 9 SER C 174.9466316276311 0.5081572355412104 1148 174.587 0.02 0.3596316276311029 True matched Boltz Relaxed 10 VAL N 121.51231530485254 2.590509062710767 1148 121.109 0.11 0.40331530485254063 True matched Boltz Relaxed 10 VAL HN 7.607762200076405 0.29952408250486573 1148 7.890 0.02 -0.2822377999235943 True matched Boltz Relaxed 10 VAL HA 4.163319679502826 0.14606163377059175 1148 False missing_experiment Boltz Relaxed 10 VAL CA 62.65517950224129 1.1407330634024149 1148 61.942 0.25 0.7131795022412888 True matched Boltz Relaxed 10 VAL CB 32.88611146548069 0.9563322730728603 1148 32.915 0.25 -0.028888534519310838 True matched Boltz Relaxed 10 VAL C 175.35844244608066 0.7268189575703085 1148 175.852 0.02 -0.4935575539193451 True matched Boltz Relaxed 11 GLU N 124.11591036062207 4.015120041662724 1148 126.173 0.11 -2.057089639377935 True matched Boltz Relaxed 11 GLU HN 8.220739557767994 0.30871147061806054 1148 8.357 0.02 -0.13626044223200573 True matched Boltz Relaxed 11 GLU HA 4.5534564445658425 0.23446773990223246 1148 False missing_experiment Boltz Relaxed 11 GLU CA 54.011894568333645 1.024166861305687 1148 54.264 0.25 -0.252105431666358 True matched Boltz Relaxed 11 GLU CB 30.30280748892329 1.0230586291573944 1148 29.807 0.25 0.4958074889232904 True matched Boltz Relaxed 11 GLU C 174.8598211467889 0.4693345814457826 1148 173.930 0.02 0.9298211467888962 True matched Boltz Relaxed 12 PRO N nan nan 0 False missing_experiment Boltz Relaxed 12 PRO HN nan nan 0 False missing_experiment Boltz Relaxed 12 PRO HA 4.5966925126750295 0.19164422472795242 1148 False missing_experiment Boltz Relaxed 12 PRO CA 61.7241811586174 0.6322574719038705 1148 False missing_experiment Boltz Relaxed 12 PRO CB 31.284452102740882 0.32214550957802074 1148 False missing_experiment Boltz Relaxed 12 PRO C 175.1076174878908 0.3064652465185383 1148 False missing_experiment Boltz Relaxed 13 PRO N nan nan 0 False missing_experiment Boltz Relaxed 13 PRO HN nan nan 0 False missing_experiment Boltz Relaxed 13 PRO HA 4.442717768589379 0.11831156216601847 1148 False missing_experiment Boltz Relaxed 13 PRO CA 62.99903045215673 0.4314006936539832 1148 62.775 0.25 0.22403045215673245 True matched Boltz Relaxed 13 PRO CB 32.11438323562569 0.6208038578674687 1148 32.103 0.25 0.011383235625686439 True matched Boltz Relaxed 13 PRO C 176.65111588268746 0.6519515991711445 1148 176.989 0.02 -0.33788411731254087 True matched Boltz Relaxed 14 LEU N 123.1247682538182 2.360344378418678 1148 122.452 0.11 0.6727682538182052 True matched Boltz Relaxed 14 LEU HN 8.180972993996916 0.39430873643939385 1148 8.363 0.02 -0.18202700600308397 True matched Boltz Relaxed 14 LEU HA 4.399103652932503 0.19049037873233468 1148 False missing_experiment Boltz Relaxed 14 LEU CA 54.65845555960094 0.8644584089086136 1148 55.381 0.25 -0.7225444403990622 True matched Boltz Relaxed 14 LEU CB 42.46352696169544 1.3453367197642578 1148 42.503 0.25 -0.03947303830455695 True matched Boltz Relaxed 14 LEU C 177.03282582884466 0.6993064150285849 1148 177.622 0.02 -0.5891741711553493 True matched Boltz Relaxed 15 SER N 116.45878742630057 2.354277204182674 1148 116.709 0.11 -0.25021257369942873 True matched Boltz Relaxed 15 SER HN 8.289063593236412 0.34451931287624615 1148 8.349 0.02 -0.05993640676358858 True matched Boltz Relaxed 15 SER HA 4.517155931386383 0.14907727699363438 1148 False missing_experiment Boltz Relaxed 15 SER CA 57.79132839362381 0.5884007880694561 1148 58.184 0.25 -0.39267160637619014 True matched Boltz Relaxed 15 SER CB 64.78798071764903 0.6809721170005346 1148 63.871 0.25 0.9169807176490323 True matched Boltz Relaxed 15 SER C 175.3530244993416 0.6089360462670427 1148 174.657 0.02 0.6960244993415756 True matched Boltz Relaxed 16 GLN N 123.99355045677477 2.010841320143729 1148 122.501 0.11 1.4925504567747652 True matched Boltz Relaxed 16 GLN HN 8.968008709701511 0.18687811191001322 1148 8.513 0.02 0.4550087097015112 True matched Boltz Relaxed 16 GLN HA 4.1000060945853125 0.2515337934172676 1148 False missing_experiment Boltz Relaxed 16 GLN CA 59.18968030883045 0.6581019224165503 1148 56.051 0.25 3.1386803088304447 True matched Boltz Relaxed 16 GLN CB 28.387661176276122 0.4141454131881955 1148 29.604 0.25 -1.216338823723877 True matched Boltz Relaxed 16 GLN C 177.57808116421052 0.39774038845097076 1148 176.063 0.02 1.5150811642105282 True matched Boltz Relaxed 17 GLU N 118.84457399454682 1.5143482413743383 1148 121.933 0.11 -3.0884260054531865 True matched Boltz Relaxed 17 GLU HN 8.644359765567845 0.3099623766715108 1148 8.546 0.02 0.09835976556784587 True matched Boltz Relaxed 17 GLU HA 4.162047039548694 0.08626652394644364 1148 False missing_experiment Boltz Relaxed 17 GLU CA 59.41406620504134 0.4723612047322633 1148 57.067 0.25 2.3470662050413367 True matched Boltz Relaxed 17 GLU CB 28.409843225512354 0.4879030582366752 1148 30.255 0.25 -1.845156774487645 True matched Boltz Relaxed 17 GLU C 178.57850514056375 0.4484705696723348 1148 176.626 0.02 1.9525051405637441 True matched Boltz Relaxed 18 THR N 115.91181355652493 2.2118208706323754 1148 114.933 0.11 0.9788135565249263 True matched Boltz Relaxed 18 THR HN 7.7540923402699855 0.2270548249534669 1148 8.127 0.02 -0.37290765973001516 True matched Boltz Relaxed 18 THR HA 4.127329263537603 0.10268284896907451 1148 False missing_experiment Boltz Relaxed 18 THR CA 65.75269080371392 0.8741318240424502 1148 62.023 0.25 3.7296908037139147 True matched Boltz Relaxed 18 THR CB 68.71877615127829 0.3470083970128821 1148 69.986 0.25 -1.267223848721713 True matched Boltz Relaxed 18 THR C 176.39470636720026 0.3869314281329184 1148 174.411 0.02 1.9837063672002557 True matched Boltz Relaxed 19 PHE N 122.39703648929397 0.9860560587280713 1148 122.317 0.11 0.080036489293974 True matched Boltz Relaxed 19 PHE HN 8.422821435778815 0.33668803983673695 1148 8.261 0.02 0.16182143577881547 True matched Boltz Relaxed 19 PHE HA 4.24519251094878 0.17543314496973525 1148 False missing_experiment Boltz Relaxed 19 PHE CA 61.12482665390918 0.9400614477114108 1148 58.082 0.25 3.042826653909181 True matched Boltz Relaxed 19 PHE CB 39.198888519499775 0.47526303944084713 1148 39.456 0.25 -0.25711148050022814 True matched Boltz Relaxed 19 PHE C 176.88846681176162 0.33600928051622403 1148 175.917 0.02 0.9714668117616156 True matched Boltz Relaxed 20 SER N 115.04304602087998 0.948299627949716 1148 116.753 0.11 -1.7099539791200158 True matched Boltz Relaxed 20 SER HN 8.25797996080711 0.29827030866424165 1148 8.119 0.02 0.1389799608071094 True matched Boltz Relaxed 20 SER HA 4.188326652353234 0.2730334038328168 1148 False missing_experiment Boltz Relaxed 20 SER CA 62.28688589288798 0.41284613079886434 1148 58.753 0.25 3.53388589288798 True matched Boltz Relaxed 20 SER CB 62.97885191980555 0.23525274905067814 1148 63.912 0.25 -0.9331480801944494 True matched Boltz Relaxed 20 SER C 176.41803116748557 0.49002247756550893 1148 174.511 0.02 1.9070311674855702 True matched Boltz Relaxed 21 ASP N 121.47178746931229 1.221726325980067 1148 122.139 0.11 -0.6672125306877064 True matched Boltz Relaxed 21 ASP HN 7.950154175741747 0.26504049189552337 1148 8.295 0.02 -0.34484582425825305 True matched Boltz Relaxed 21 ASP HA 4.661761318349672 0.11587479025491809 1148 False missing_experiment Boltz Relaxed 21 ASP CA 56.05839986502086 0.7132591328729024 1148 54.954 0.25 1.1043998650208593 True matched Boltz Relaxed 21 ASP CB 41.10295292724716 0.483905709822721 1148 40.837 0.25 0.2659529272471559 True matched Boltz Relaxed 21 ASP C 177.57228754289474 0.7673759879170451 1148 176.884 0.02 0.6882875428947557 True matched Boltz Relaxed 22 LEU N 120.60144514156966 1.1172858210595193 1148 121.145 0.11 -0.5435548584303405 True matched Boltz Relaxed 22 LEU HN 7.774841460201383 0.3254918053543353 1148 7.959 0.02 -0.18415853979861652 True matched Boltz Relaxed 22 LEU HA 4.17941549949945 0.1542127004069779 1148 False missing_experiment Boltz Relaxed 22 LEU CA 57.24742510592896 0.6284585095470813 1148 56.579 0.25 0.6684251059289608 True matched Boltz Relaxed 22 LEU CB 42.09435626770976 0.3282513598649411 1148 41.832 0.25 0.2623562677097624 True matched Boltz Relaxed 22 LEU C 178.65649832748784 0.4797359236699404 1148 178.050 0.02 0.6064983274878273 True matched Boltz Relaxed 23 TRP N 120.72063489242713 1.5525950887875837 1148 119.387 0.11 1.3336348924271277 True matched Boltz Relaxed 23 TRP HN 8.15503135873881 0.358891462158081 1148 7.869 0.02 0.2860313587388106 True matched Boltz Relaxed 23 TRP HA 4.219695120115313 0.14296235955774433 1148 False missing_experiment Boltz Relaxed 23 TRP CA 60.10365677212174 1.02238962246684 1148 57.757 0.25 2.34665677212174 True matched Boltz Relaxed 23 TRP CB 28.981057507651194 0.46788260104928947 1148 28.934 0.25 0.047057507651192765 True matched Boltz Relaxed 23 TRP C 177.4883030482701 0.587044575373735 1148 176.743 0.02 0.7453030482701024 True matched Boltz Relaxed 24 LYS N 117.30108878504524 1.332682346823373 1148 120.522 0.11 -3.220911214954768 True matched Boltz Relaxed 24 LYS HN 7.710885891930983 0.28557099054402757 1148 7.595 0.02 0.11588589193098287 True matched Boltz Relaxed 24 LYS HA 3.9822334528800085 0.2928690928658568 1148 False missing_experiment Boltz Relaxed 24 LYS CA 57.69460021161867 0.6070746729273505 1148 56.945 0.25 0.7496002116186702 True matched Boltz Relaxed 24 LYS CB 31.939818799288016 0.6674763446776018 1148 32.895 0.25 -0.9551812007119871 True matched Boltz Relaxed 24 LYS C 176.89468067448314 0.45838118650246334 1148 176.198 0.02 0.6966806744831331 True matched Boltz Relaxed 25 LEU N 118.25822559715563 0.8633804675016513 1148 120.787 0.11 -2.528774402844377 True matched Boltz Relaxed 25 LEU HN 7.565815324567336 0.2359063163199423 1148 7.842 0.02 -0.27618467543266334 True matched Boltz Relaxed 25 LEU HA 4.326704706464495 0.0879018265963192 1148 False missing_experiment Boltz Relaxed 25 LEU CA 54.610418166848426 0.45881973632893214 1148 54.975 0.25 -0.36458183315157555 True matched Boltz Relaxed 25 LEU CB 42.7474721350321 0.6097784942127912 1148 42.320 0.25 0.42747213503209736 True matched Boltz Relaxed 25 LEU C 176.73129630005732 0.4879517559324688 1148 177.095 0.02 -0.3637036999426755 True matched Boltz Relaxed 26 LEU N 121.02928926554291 0.8109122309938495 1148 123.711 0.11 -2.6817107344570843 True matched Boltz Relaxed 26 LEU HN 7.486004352154216 0.18766483365910153 1148 7.934 0.02 -0.44799564784578383 True matched Boltz Relaxed 26 LEU HA 4.528236932040092 0.17295948486874 1148 False missing_experiment Boltz Relaxed 26 LEU CA 53.014612397250396 0.7712444617949278 1148 53.025 0.25 -0.01038760274960282 True matched Boltz Relaxed 26 LEU CB 41.68226567710318 0.6594398519140189 1148 41.548 0.25 0.13426567710317983 True matched Boltz Relaxed 26 LEU C 175.53589550377185 0.3672370046457519 1148 175.530 0.02 0.005895503771853328 True matched Boltz Relaxed 27 PRO N nan nan 0 False missing_experiment Boltz Relaxed 27 PRO HN nan nan 0 False missing_experiment Boltz Relaxed 27 PRO HA 4.535375446600366 0.10703065780581514 1148 False missing_experiment Boltz Relaxed 27 PRO CA 62.658377155609664 0.35047011887521784 1148 63.668 0.25 -1.0096228443903357 True matched Boltz Relaxed 27 PRO CB 32.094918109814046 0.312947626739799 1148 32.021 0.25 0.0739181098140449 True matched Boltz Relaxed 27 PRO C 176.27224315417354 0.43020075551943104 1148 177.487 0.02 -1.2147568458264573 True matched Boltz Relaxed 28 GLU N 120.20014281056899 0.046071201684156286 1148 119.825 0.11 0.37514281056898824 True matched Boltz Relaxed 28 GLU HN 8.354801407674463 0.04343279658636365 1148 8.727 0.02 -0.3721985923255371 True matched Boltz Relaxed 28 GLU HA 4.365793552132849 0.053548619619024865 1148 False missing_experiment Boltz Relaxed 28 GLU CA 56.41208358591857 0.046102204524365614 1148 57.189 0.25 -0.7769164140814269 True matched Boltz Relaxed 28 GLU CB 29.71905833586583 0.04574726991285963 1148 29.950 0.25 -0.23094166413416772 True matched Boltz Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction AlphaFlow Original 1 MET N nan nan 0 False missing_experiment AlphaFlow Original 1 MET HN nan nan 0 False missing_experiment AlphaFlow Original 1 MET HA 4.479999999999978 2.2215571056367038e-14 1000 False missing_experiment AlphaFlow Original 1 MET CA 55.300371000000325 0.00478186419978926 1000 55.706 0.25 -0.40562899999967783 True matched AlphaFlow Original 1 MET CB 32.60047299999946 0.007525683152173343 1000 32.671 0.25 -0.07052700000053846 True matched AlphaFlow Original 1 MET C 176.30042900000035 0.005131792503042836 1000 176.163 0.02 0.13742900000033842 True matched AlphaFlow Original 2 GLU N 122.07316100000006 0.7938131571140697 1000 121.536 0.11 0.5371610000000544 True matched AlphaFlow Original 2 GLU HN 8.811874000000005 0.10566406682983112 1000 8.358 0.02 0.45387400000000433 True matched AlphaFlow Original 2 GLU HA 4.5094279999999936 0.19346002066472454 1000 False missing_experiment AlphaFlow Original 2 GLU CA 56.52314600000008 0.6418727251404905 1000 56.478 0.25 0.04514600000008073 True matched AlphaFlow Original 2 GLU CB 30.61814500000001 0.6674071488059423 1000 30.498 0.25 0.12014500000000794 True matched AlphaFlow Original 2 GLU C 175.9088390000001 0.48520874745578035 1000 176.171 0.02 -0.2621609999998782 True matched AlphaFlow Original 3 GLU N 122.62420600000002 1.800753056677992 1000 123.308 0.11 -0.6837939999999918 True matched AlphaFlow Original 3 GLU HN 8.615172000000005 0.12727467642567103 1000 8.359 0.02 0.25617200000000473 True matched AlphaFlow Original 3 GLU HA 4.4978729999999905 0.15122366702493525 1000 False missing_experiment AlphaFlow Original 3 GLU CA 54.93820699999993 0.8047146374950563 1000 54.304 0.25 0.6342069999999254 True matched AlphaFlow Original 3 GLU CB 30.476051999999978 0.7009472750345621 1000 29.868 0.25 0.6080519999999794 True matched AlphaFlow Original 3 GLU C 174.5086250000002 0.3154120021592484 1000 174.464 0.02 0.044625000000195314 True matched AlphaFlow Original 4 PRO N nan nan 0 False missing_experiment AlphaFlow Original 4 PRO HN nan nan 0 False missing_experiment AlphaFlow Original 4 PRO HA 4.408183000000002 0.1334045812305308 1000 False missing_experiment AlphaFlow Original 4 PRO CA 63.359737999999936 0.6056927530250528 1000 63.282 0.25 0.07773799999993969 True matched AlphaFlow Original 4 PRO CB 32.32882600000002 0.43977624181720715 1000 32.204 0.25 0.12482600000002009 True matched AlphaFlow Original 4 PRO C 176.7847440000001 0.5632715075833823 1000 176.995 0.02 -0.21025599999990163 True matched AlphaFlow Original 5 GLN N 119.85573199999996 1.1239238118800172 1000 120.976 0.11 -1.1202680000000385 True matched AlphaFlow Original 5 GLN HN 8.606905000000003 0.14451012127235294 1000 8.575 0.02 0.031905000000003625 True matched AlphaFlow Original 5 GLN HA 4.519411999999996 0.22168178334962282 1000 False missing_experiment AlphaFlow Original 5 GLN CA 55.880091000000014 0.7790648822850446 1000 55.686 0.25 0.19409100000001445 True matched AlphaFlow Original 5 GLN CB 29.117705999999995 1.1525186283755904 1000 29.746 0.25 -0.6282940000000039 True matched AlphaFlow Original 5 GLN C 176.19348700000003 0.754786346100179 1000 176.034 0.02 0.15948700000004123 True matched AlphaFlow Original 6 SER N 116.83482700000008 0.9590468559684378 1000 117.753 0.11 -0.9181729999999249 True matched AlphaFlow Original 6 SER HN 8.744889999999987 0.15108204951510865 1000 8.400 0.02 0.34488999999998704 True matched AlphaFlow Original 6 SER HA 4.503352000000001 0.16575553986215671 1000 False missing_experiment AlphaFlow Original 6 SER CA 58.190344999999965 0.7222273272919595 1000 58.306 0.25 -0.11565500000003226 True matched AlphaFlow Original 6 SER CB 63.477347999999964 0.6357719283208725 1000 64.034 0.25 -0.5566520000000423 True matched AlphaFlow Original 6 SER C 174.21888199999964 0.5955899827091644 1000 173.796 0.02 0.42288199999964604 True matched AlphaFlow Original 7 ASP N 122.68402000000002 1.5364063551313798 1000 123.666 0.11 -0.9819799999999788 True matched AlphaFlow Original 7 ASP HN 8.579426999999999 0.11392434958527706 1000 8.456 0.02 0.12342699999999951 True matched AlphaFlow Original 7 ASP HA 4.783124 0.1641027554257952 1000 False missing_experiment AlphaFlow Original 7 ASP CA 53.051583000000036 0.9776709925535684 1000 52.368 0.25 0.6835830000000342 True matched AlphaFlow Original 7 ASP CB 41.71151300000002 0.8377602927682473 1000 41.250 0.25 0.4615130000000178 True matched AlphaFlow Original 7 ASP C 174.58990099999977 0.5058634390999391 1000 174.768 0.02 -0.1780990000002305 True matched AlphaFlow Original 8 PRO N nan nan 0 False missing_experiment AlphaFlow Original 8 PRO HN nan nan 0 False missing_experiment AlphaFlow Original 8 PRO HA 4.416956999999991 0.11047800025136006 1000 False missing_experiment AlphaFlow Original 8 PRO CA 63.494762000000044 0.44080288853697713 1000 63.486 0.25 0.00876200000004701 True matched AlphaFlow Original 8 PRO CB 32.072854999999976 0.41067135148916056 1000 32.204 0.25 -0.13114500000002494 True matched AlphaFlow Original 8 PRO C 177.94292100000007 0.5503949212414013 1000 177.153 0.02 0.7899210000000778 True matched AlphaFlow Original 9 SER N 115.086387 0.8937186068216201 1000 116.051 0.11 -0.9646129999999999 True matched AlphaFlow Original 9 SER HN 8.344468000000006 0.14395919291669165 1000 8.541 0.02 -0.19653199999999416 True matched AlphaFlow Original 9 SER HA 4.541283999999997 0.14790955540660833 1000 False missing_experiment AlphaFlow Original 9 SER CA 58.41320000000007 0.5368527198802692 1000 58.996 0.25 -0.5827999999999349 True matched AlphaFlow Original 9 SER CB 62.843482000000066 0.6804225735192467 1000 63.871 0.25 -1.0275179999999366 True matched AlphaFlow Original 9 SER C 175.55026299999994 0.563398069943638 1000 174.587 0.02 0.9632629999999551 True matched AlphaFlow Original 10 VAL N 121.87451899999986 1.1969539926411128 1000 121.109 0.11 0.7655189999998697 True matched AlphaFlow Original 10 VAL HN 8.586198 0.193670025752244 1000 7.890 0.02 0.6961979999999999 True matched AlphaFlow Original 10 VAL HA 4.341503999999994 0.18869750059481633 1000 False missing_experiment AlphaFlow Original 10 VAL CA 62.08995700000007 0.7258058647491793 1000 61.942 0.25 0.14795700000006917 True matched AlphaFlow Original 10 VAL CB 32.468427000000005 1.1051763956656593 1000 32.915 0.25 -0.44657299999999367 True matched AlphaFlow Original 10 VAL C 176.35193700000028 0.5519776846896939 1000 175.852 0.02 0.49993700000027275 True matched AlphaFlow Original 11 GLU N 124.38860700000008 2.1241897129229046 1000 126.173 0.11 -1.7843929999999233 True matched AlphaFlow Original 11 GLU HN 8.83444000000002 0.12303268444377481 1000 8.357 0.02 0.47744000000002096 True matched AlphaFlow Original 11 GLU HA 4.632320999999996 0.18305332687356304 1000 False missing_experiment AlphaFlow Original 11 GLU CA 55.00726199999996 0.7023431235651272 1000 54.264 0.25 0.7432619999999588 True matched AlphaFlow Original 11 GLU CB 30.754139999999996 0.8816091952635093 1000 29.807 0.25 0.9471399999999974 True matched AlphaFlow Original 11 GLU C 174.3283199999996 0.3344301498446649 1000 173.930 0.02 0.3983199999995861 True matched AlphaFlow Original 12 PRO N nan nan 0 False missing_experiment AlphaFlow Original 12 PRO HN nan nan 0 False missing_experiment AlphaFlow Original 12 PRO HA 4.550818000000007 0.12373894375742102 1000 False missing_experiment AlphaFlow Original 12 PRO CA 62.04789000000002 0.5530953193910909 1000 False missing_experiment AlphaFlow Original 12 PRO CB 31.656553999999996 0.5027548264308351 1000 False missing_experiment AlphaFlow Original 12 PRO C 174.91211800000005 0.18057535140083067 1000 False missing_experiment AlphaFlow Original 13 PRO N nan nan 0 False missing_experiment AlphaFlow Original 13 PRO HN nan nan 0 False missing_experiment AlphaFlow Original 13 PRO HA 4.577263 0.1576980040821426 1000 False missing_experiment AlphaFlow Original 13 PRO CA 63.092675999999955 0.5330491914115097 1000 62.775 0.25 0.3176759999999561 True matched AlphaFlow Original 13 PRO CB 32.24871000000003 0.5137024256143644 1000 32.103 0.25 0.14571000000002954 True matched AlphaFlow Original 13 PRO C 177.52609400000009 0.7333757844415137 1000 176.989 0.02 0.5370940000000815 True matched AlphaFlow Original 14 LEU N 121.71411099999983 1.3063640249351045 1000 122.452 0.11 -0.7378890000001661 True matched AlphaFlow Original 14 LEU HN 8.497746999999986 0.19000017646849188 1000 8.363 0.02 0.13474699999998663 True matched AlphaFlow Original 14 LEU HA 4.401649000000001 0.18937981548600563 1000 False missing_experiment AlphaFlow Original 14 LEU CA 55.21993799999992 0.8111969049340453 1000 55.381 0.25 -0.1610620000000793 True matched AlphaFlow Original 14 LEU CB 41.95735599999999 0.9457725958532883 1000 42.503 0.25 -0.54564400000001 True matched AlphaFlow Original 14 LEU C 178.2352 0.7377894505028331 1000 177.622 0.02 0.6131999999999778 True matched AlphaFlow Original 15 SER N 116.131858 1.4224048866259908 1000 116.709 0.11 -0.5771420000000091 True matched AlphaFlow Original 15 SER HN 8.854623000000007 0.12983026137140669 1000 8.349 0.02 0.505623000000007 True matched AlphaFlow Original 15 SER HA 4.478235999999997 0.22342705286502798 1000 False missing_experiment AlphaFlow Original 15 SER CA 58.39670100000003 0.8538022944200592 1000 58.184 0.25 0.21270100000003112 True matched AlphaFlow Original 15 SER CB 63.651996999999994 0.7861634002437937 1000 63.871 0.25 -0.21900300000000783 True matched AlphaFlow Original 15 SER C 175.3434460000002 0.8217462040727108 1000 174.657 0.02 0.6864460000001884 True matched AlphaFlow Original 16 GLN N 120.75455599999994 1.1038830629558012 1000 122.501 0.11 -1.7464440000000678 True matched AlphaFlow Original 16 GLN HN 8.842370000000006 0.14270363494819405 1000 8.513 0.02 0.32937000000000616 True matched AlphaFlow Original 16 GLN HA 4.396428000000001 0.19756900143070596 1000 False missing_experiment AlphaFlow Original 16 GLN CA 56.30709499999989 0.7502343817785231 1000 56.051 0.25 0.2560949999998883 True matched AlphaFlow Original 16 GLN CB 28.962310999999985 0.6585142422805192 1000 29.604 0.25 -0.6416890000000137 True matched AlphaFlow Original 16 GLN C 176.24754200000007 1.0168776634474859 1000 176.063 0.02 0.1845420000000786 True matched AlphaFlow Original 17 GLU N 121.11308899999986 1.230879121803393 1000 121.933 0.11 -0.8199110000001468 True matched AlphaFlow Original 17 GLU HN 8.704883999999982 0.2066556389191863 1000 8.546 0.02 0.1588839999999827 True matched AlphaFlow Original 17 GLU HA 4.425879999999998 0.18379750031249362 1000 False missing_experiment AlphaFlow Original 17 GLU CA 56.79476999999994 0.8173394587874065 1000 57.067 0.25 -0.27223000000005726 True matched AlphaFlow Original 17 GLU CB 30.578967000000024 0.7283883081423248 1000 30.255 0.25 0.32396700000002454 True matched AlphaFlow Original 17 GLU C 177.00154299999986 0.9102012131388314 1000 176.626 0.02 0.3755429999998512 True matched AlphaFlow Original 18 THR N 114.33180099999998 1.3091348874552833 1000 114.933 0.11 -0.6011990000000225 True matched AlphaFlow Original 18 THR HN 8.594589999999995 0.14364879699070526 1000 8.127 0.02 0.4675899999999942 True matched AlphaFlow Original 18 THR HA 4.410224999999997 0.17625090853030448 1000 False missing_experiment AlphaFlow Original 18 THR CA 62.052278999999984 0.7824103521286753 1000 62.023 0.25 0.02927899999998118 True matched AlphaFlow Original 18 THR CB 69.07514600000006 0.5210606191729067 1000 69.986 0.25 -0.9108539999999437 True matched AlphaFlow Original 18 THR C 175.7471829999998 0.4242797506572962 1000 174.411 0.02 1.3361829999998065 True matched AlphaFlow Original 19 PHE N 121.29228100000013 0.6709574635973258 1000 122.317 0.11 -1.0247189999998625 True matched AlphaFlow Original 19 PHE HN 8.728322000000006 0.25217887004762796 1000 8.261 0.02 0.46732200000000645 True matched AlphaFlow Original 19 PHE HA 4.460140000000003 0.11673225269315599 1000 False missing_experiment AlphaFlow Original 19 PHE CA 59.57218100000004 0.5861077260244106 1000 58.082 0.25 1.4901810000000424 True matched AlphaFlow Original 19 PHE CB 38.58072699999997 0.30099108309566747 1000 39.456 0.25 -0.8752730000000355 True matched AlphaFlow Original 19 PHE C 178.43256300000021 0.283805379661 1000 175.917 0.02 2.5155630000002134 True matched AlphaFlow Original 20 SER N 115.80439400000019 0.3308271139784998 1000 116.753 0.11 -0.9486059999998133 True matched AlphaFlow Original 20 SER HN 8.793838000000006 0.05259343899980131 1000 8.119 0.02 0.6748380000000065 True matched AlphaFlow Original 20 SER HA 4.249484999999999 0.044839941964674584 1000 False missing_experiment AlphaFlow Original 20 SER CA 59.765167999999996 0.2795876482054045 1000 58.753 0.25 1.0121679999999955 True matched AlphaFlow Original 20 SER CB 62.787337000000065 0.15283157697911084 1000 63.912 0.25 -1.1246629999999342 True matched AlphaFlow Original 20 SER C 176.30034900000012 0.16578872428515834 1000 174.511 0.02 1.7893490000001293 True matched AlphaFlow Original 21 ASP N 121.48310899999993 0.33795705065449794 1000 122.139 0.11 -0.655891000000068 True matched AlphaFlow Original 21 ASP HN 8.69065700000001 0.049140514253934564 1000 8.295 0.02 0.3956570000000106 True matched AlphaFlow Original 21 ASP HA 4.607319999999998 0.0514215691882091 1000 False missing_experiment AlphaFlow Original 21 ASP CA 54.84491699999997 0.17891612305795718 1000 54.954 0.25 -0.10908300000003379 True matched AlphaFlow Original 21 ASP CB 40.661236999999964 0.14315056729163148 1000 40.837 0.25 -0.17576300000003897 True matched AlphaFlow Original 21 ASP C 178.15691199999998 0.12271682719038829 1000 176.884 0.02 1.272911999999991 True matched AlphaFlow Original 22 LEU N 121.01256000000014 0.40776690430716483 1000 121.145 0.11 -0.13243999999986045 True matched AlphaFlow Original 22 LEU HN 8.461673999999999 0.06444253691906132 1000 7.959 0.02 0.502673999999999 True matched AlphaFlow Original 22 LEU HA 4.256168000000008 0.0522204438007831 1000 False missing_experiment AlphaFlow Original 22 LEU CA 55.45216999999989 0.32395230852426127 1000 56.579 0.25 -1.126830000000112 True matched AlphaFlow Original 22 LEU CB 41.68825200000003 0.1773604161396033 1000 41.832 0.25 -0.14374799999997379 True matched AlphaFlow Original 22 LEU C 179.21620499999995 0.2716914817145291 1000 178.050 0.02 1.166204999999934 True matched AlphaFlow Original 23 TRP N 122.53467200000006 0.5865418226569412 1000 119.387 0.11 3.147672000000057 True matched AlphaFlow Original 23 TRP HN 8.294396999999986 0.07232094932113874 1000 7.869 0.02 0.42539699999998604 True matched AlphaFlow Original 23 TRP HA 4.466245000000004 0.05675843986135892 1000 False missing_experiment AlphaFlow Original 23 TRP CA 58.427168000000115 0.3740322203739642 1000 57.757 0.25 0.6701680000001176 True matched AlphaFlow Original 23 TRP CB 29.290778000000017 0.16754942412770488 1000 28.934 0.25 0.35677800000001625 True matched AlphaFlow Original 23 TRP C 178.55932600000008 0.2849654558626971 1000 176.743 0.02 1.816326000000089 True matched AlphaFlow Original 24 LYS N 120.6868540000001 0.30072030757397705 1000 120.522 0.11 0.16485400000009065 True matched AlphaFlow Original 24 LYS HN 8.474096000000008 0.04931769478614164 1000 7.595 0.02 0.8790960000000085 True matched AlphaFlow Original 24 LYS HA 4.212548999999998 0.05635892056211629 1000 False missing_experiment AlphaFlow Original 24 LYS CA 57.11917799999998 0.3243140976737673 1000 56.945 0.25 0.1741779999999764 True matched AlphaFlow Original 24 LYS CB 32.15139499999999 0.14381347395251337 1000 32.895 0.25 -0.7436050000000165 True matched AlphaFlow Original 24 LYS C 178.36998100000008 0.27754614481469847 1000 176.198 0.02 2.1719810000000734 True matched AlphaFlow Original 25 LEU N 122.09797499999988 0.4616788751489056 1000 120.787 0.11 1.3109749999998712 True matched AlphaFlow Original 25 LEU HN 8.337597000000004 0.04033451951448616 1000 7.842 0.02 0.4955970000000045 True matched AlphaFlow Original 25 LEU HA 4.3415899999999965 0.08503736386585165 1000 False missing_experiment AlphaFlow Original 25 LEU CA 54.99452999999992 0.31595981659968364 1000 54.975 0.25 0.01952999999991789 True matched AlphaFlow Original 25 LEU CB 41.88294800000002 0.16321944088215093 1000 42.320 0.25 -0.43705199999998 True matched AlphaFlow Original 25 LEU C 177.73676999999995 0.6246376944672398 1000 177.095 0.02 0.6417699999999513 True matched AlphaFlow Original 26 LEU N 122.09910700000019 0.858948665731172 1000 123.711 0.11 -1.6118929999998102 True matched AlphaFlow Original 26 LEU HN 8.198899999999997 0.1607922079397324 1000 7.934 0.02 0.26489999999999636 True matched AlphaFlow Original 26 LEU HA 4.461554999999991 0.15140178822086775 1000 False missing_experiment AlphaFlow Original 26 LEU CA 53.66347900000005 1.183941687532995 1000 53.025 0.25 0.6384790000000535 True matched AlphaFlow Original 26 LEU CB 41.61198999999999 0.7837941331390168 1000 41.548 0.25 0.06398999999998978 True matched AlphaFlow Original 26 LEU C 175.33978000000002 0.6449628413068981 1000 175.530 0.02 -0.1902199999999823 True matched AlphaFlow Original 27 PRO N nan nan 0 False missing_experiment AlphaFlow Original 27 PRO HN nan nan 0 False missing_experiment AlphaFlow Original 27 PRO HA 4.500686000000001 0.12499307449884038 1000 False missing_experiment AlphaFlow Original 27 PRO CA 63.01786999999994 0.549617234267817 1000 63.668 0.25 -0.6501300000000612 True matched AlphaFlow Original 27 PRO CB 32.067522999999994 0.42313336824022596 1000 32.021 0.25 0.04652299999999343 True matched AlphaFlow Original 27 PRO C 176.9250880000002 0.4393415405413486 1000 177.487 0.02 -0.5619119999998077 True matched AlphaFlow Original 28 GLU N 120.11813499999997 0.08436277527946104 1000 119.825 0.11 0.29313499999996395 True matched AlphaFlow Original 28 GLU HN 8.359999999999873 1.2618444360016478e-13 1000 8.727 0.02 -0.367000000000127 True matched AlphaFlow Original 28 GLU HA 4.349999999999961 3.9099405059205985e-14 1000 False missing_experiment AlphaFlow Original 28 GLU CA 56.33408299999996 0.14501122151532045 1000 57.189 0.25 -0.854917000000043 True matched AlphaFlow Original 28 GLU CB 29.660739999999972 0.07098685465305196 1000 29.950 0.25 -0.28926000000002716 True matched AlphaFlow Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction AlphaFlow Relaxed 1 MET N nan nan 0 False missing_experiment AlphaFlow Relaxed 1 MET HN nan nan 0 False missing_experiment AlphaFlow Relaxed 1 MET HA 4.4801160101890565 0.002371935164375703 1000 False missing_experiment AlphaFlow Relaxed 1 MET CA 55.300139247894286 0.003631712147902057 1000 55.706 0.25 -0.4058607521057169 True matched AlphaFlow Relaxed 1 MET CB 32.600060390472414 0.002859423337263189 1000 32.671 0.25 -0.07093960952758493 True matched AlphaFlow Relaxed 1 MET C 176.30019276428223 0.003573644044838254 1000 176.163 0.02 0.1371927642822186 True matched AlphaFlow Relaxed 2 GLU N 119.655648979187 1.7515933859105304 1000 121.536 0.11 -1.880351020812995 True matched AlphaFlow Relaxed 2 GLU HN 8.256464001178742 0.21902736452380173 1000 8.358 0.02 -0.10153599882125874 True matched AlphaFlow Relaxed 2 GLU HA 4.445577997922897 0.14195043247536787 1000 False missing_experiment AlphaFlow Relaxed 2 GLU CA 56.369940990448 0.5922644778764974 1000 56.478 0.25 -0.10805900955200087 True matched AlphaFlow Relaxed 2 GLU CB 29.859455989837645 0.7669745885422878 1000 30.498 0.25 -0.6385440101623558 True matched AlphaFlow Relaxed 2 GLU C 175.72963888549805 0.5339577343851227 1000 176.171 0.02 -0.4413611145019445 True matched AlphaFlow Relaxed 3 GLU N 121.75037100982667 1.5684001593178185 1000 123.308 0.11 -1.5576289901733418 True matched AlphaFlow Relaxed 3 GLU HN 8.178160986423492 0.26107248904716496 1000 8.359 0.02 -0.18083901357650767 True matched AlphaFlow Relaxed 3 GLU HA 4.39454700088501 0.15844598650701572 1000 False missing_experiment AlphaFlow Relaxed 3 GLU CA 55.18619303512573 1.2084576342256652 1000 54.304 0.25 0.8821930351257308 True matched AlphaFlow Relaxed 3 GLU CB 29.302584003448487 0.7595276402869132 1000 29.868 0.25 -0.5654159965515113 True matched AlphaFlow Relaxed 3 GLU C 175.05140800476073 0.535453457664599 1000 174.464 0.02 0.5874080047607322 True matched AlphaFlow Relaxed 4 PRO N nan nan 0 False missing_experiment AlphaFlow Relaxed 4 PRO HN nan nan 0 False missing_experiment AlphaFlow Relaxed 4 PRO HA 4.426598992824554 0.12174933867494314 1000 False missing_experiment AlphaFlow Relaxed 4 PRO CA 63.19255402374267 0.5926059264909546 1000 63.282 0.25 -0.08944597625732342 True matched AlphaFlow Relaxed 4 PRO CB 32.105660970687865 0.6654327846354956 1000 32.204 0.25 -0.098339029312136 True matched AlphaFlow Relaxed 4 PRO C 176.5966840209961 0.5631714344589572 1000 176.995 0.02 -0.398315979003911 True matched AlphaFlow Relaxed 5 GLN N 121.19246815490723 3.003570666859102 1000 120.976 0.11 0.2164681549072327 True matched AlphaFlow Relaxed 5 GLN HN 8.429360002994537 0.2834399251641949 1000 8.575 0.02 -0.14563999700546226 True matched AlphaFlow Relaxed 5 GLN HA 4.3049420051574705 0.19112929983185983 1000 False missing_experiment AlphaFlow Relaxed 5 GLN CA 56.10491101455688 0.9404007937246383 1000 55.686 0.25 0.4189110145568833 True matched AlphaFlow Relaxed 5 GLN CB 28.783050025939943 1.1650349817882546 1000 29.746 0.25 -0.9629499740600558 True matched AlphaFlow Relaxed 5 GLN C 175.7850490875244 0.6322883071709523 1000 176.034 0.02 -0.24895091247557843 True matched AlphaFlow Relaxed 6 SER N 116.64977798461913 2.7845044139666277 1000 117.753 0.11 -1.1032220153808652 True matched AlphaFlow Relaxed 6 SER HN 8.23796499824524 0.3122940150658205 1000 8.400 0.02 -0.16203500175476115 True matched AlphaFlow Relaxed 6 SER HA 4.424861998558044 0.16632611073773954 1000 False missing_experiment AlphaFlow Relaxed 6 SER CA 58.529418975830076 0.828909792367388 1000 58.306 0.25 0.22341897583007864 True matched AlphaFlow Relaxed 6 SER CB 63.64312596130371 0.8190356554086566 1000 64.034 0.25 -0.3908740386962961 True matched AlphaFlow Relaxed 6 SER C 173.897316696167 0.676429302289672 1000 173.796 0.02 0.10131669616700378 True matched AlphaFlow Relaxed 7 ASP N 123.66692087554932 2.6161865816335967 1000 123.666 0.11 0.0009208755493261833 True matched AlphaFlow Relaxed 7 ASP HN 8.283986999034882 0.33102864406678173 1000 8.456 0.02 -0.1720130009651175 True matched AlphaFlow Relaxed 7 ASP HA 4.7661060018539425 0.16898984063643285 1000 False missing_experiment AlphaFlow Relaxed 7 ASP CA 52.880567993164064 1.2657670461549373 1000 52.368 0.25 0.5125679931640619 True matched AlphaFlow Relaxed 7 ASP CB 41.41512105178833 1.0685684333537924 1000 41.250 0.25 0.1651210517883328 True matched AlphaFlow Relaxed 7 ASP C 175.5300969696045 0.7288355553234412 1000 174.768 0.02 0.7620969696044995 True matched AlphaFlow Relaxed 8 PRO N nan nan 0 False missing_experiment AlphaFlow Relaxed 8 PRO HN nan nan 0 False missing_experiment AlphaFlow Relaxed 8 PRO HA 4.47210000371933 0.1369870548950662 1000 False missing_experiment AlphaFlow Relaxed 8 PRO CA 63.66971901321411 0.6281427223134424 1000 63.486 0.25 0.183719013214116 True matched AlphaFlow Relaxed 8 PRO CB 31.798076999664307 0.5489063970094776 1000 32.204 0.25 -0.40592300033569373 True matched AlphaFlow Relaxed 8 PRO C 176.8040301055908 0.5683422707800911 1000 177.153 0.02 -0.3489698944091799 True matched AlphaFlow Relaxed 9 SER N 114.58536302947998 2.254439334017323 1000 116.051 0.11 -1.4656369705200234 True matched AlphaFlow Relaxed 9 SER HN 8.432524989128114 0.3516417710324274 1000 8.541 0.02 -0.10847501087188682 True matched AlphaFlow Relaxed 9 SER HA 4.3970849993228915 0.13818130630266415 1000 False missing_experiment AlphaFlow Relaxed 9 SER CA 59.32039001846314 0.8762223611209183 1000 58.996 0.25 0.3243900184631343 True matched AlphaFlow Relaxed 9 SER CB 63.53716201400757 0.8520444928910961 1000 63.871 0.25 -0.33383798599243164 True matched AlphaFlow Relaxed 9 SER C 174.71110885620118 0.6924936727516844 1000 174.587 0.02 0.12410885620118961 True matched AlphaFlow Relaxed 10 VAL N 121.63286795043945 2.8750217704527943 1000 121.109 0.11 0.5238679504394526 True matched AlphaFlow Relaxed 10 VAL HN 7.665133999824524 0.34077657509617393 1000 7.890 0.02 -0.2248660001754761 True matched AlphaFlow Relaxed 10 VAL HA 4.1489530034065245 0.1871534641830631 1000 False missing_experiment AlphaFlow Relaxed 10 VAL CA 62.20085598754883 1.072915882175143 1000 61.942 0.25 0.2588559875488272 True matched AlphaFlow Relaxed 10 VAL CB 32.48333300971985 1.2824343752601317 1000 32.915 0.25 -0.4316669902801493 True matched AlphaFlow Relaxed 10 VAL C 175.3561209716797 0.6514988794672436 1000 175.852 0.02 -0.49587902832030295 True matched AlphaFlow Relaxed 11 GLU N 124.9990230331421 3.4836777969947654 1000 126.173 0.11 -1.1739769668579072 True matched AlphaFlow Relaxed 11 GLU HN 8.231770015716553 0.31532883684859886 1000 8.357 0.02 -0.12522998428344678 True matched AlphaFlow Relaxed 11 GLU HA 4.435624001264572 0.15219862055175037 1000 False missing_experiment AlphaFlow Relaxed 11 GLU CA 54.870935070037845 1.163848067893151 1000 54.264 0.25 0.6069350700378422 True matched AlphaFlow Relaxed 11 GLU CB 29.591631010055544 0.7826784432068977 1000 29.807 0.25 -0.21536898994445508 True matched AlphaFlow Relaxed 11 GLU C 175.09230284118652 0.391060226709023 1000 173.930 0.02 1.1623028411865164 True matched AlphaFlow Relaxed 12 PRO N nan nan 0 False missing_experiment AlphaFlow Relaxed 12 PRO HN nan nan 0 False missing_experiment AlphaFlow Relaxed 12 PRO HA 4.625274004936219 0.1317027436883924 1000 False missing_experiment AlphaFlow Relaxed 12 PRO CA 61.85035597229004 0.7806114744013167 1000 False missing_experiment AlphaFlow Relaxed 12 PRO CB 31.39586498260498 0.3848246295924828 1000 False missing_experiment AlphaFlow Relaxed 12 PRO C 175.2021141357422 0.36636262629763455 1000 False missing_experiment AlphaFlow Relaxed 13 PRO N nan nan 0 False missing_experiment AlphaFlow Relaxed 13 PRO HN nan nan 0 False missing_experiment AlphaFlow Relaxed 13 PRO HA 4.462642000198365 0.1226670467711088 1000 False missing_experiment AlphaFlow Relaxed 13 PRO CA 62.97000393295288 0.7071904307748058 1000 62.775 0.25 0.1950039329528792 True matched AlphaFlow Relaxed 13 PRO CB 31.94722800064087 0.7548828823562873 1000 32.103 0.25 -0.155771999359132 True matched AlphaFlow Relaxed 13 PRO C 176.82822303771974 0.6835360393946648 1000 176.989 0.02 -0.1607769622802664 True matched AlphaFlow Relaxed 14 LEU N 122.59160498046874 3.5522518100878733 1000 122.452 0.11 0.13960498046874648 True matched AlphaFlow Relaxed 14 LEU HN 8.275851991176605 0.3538595111476879 1000 8.363 0.02 -0.08714800882339446 True matched AlphaFlow Relaxed 14 LEU HA 4.2748319995403286 0.20726564534745015 1000 False missing_experiment AlphaFlow Relaxed 14 LEU CA 55.36335105133057 0.9376448727606961 1000 55.381 0.25 -0.01764894866943223 True matched AlphaFlow Relaxed 14 LEU CB 41.57853597640991 1.1337793563610952 1000 42.503 0.25 -0.9244640235900903 True matched AlphaFlow Relaxed 14 LEU C 177.2438641204834 0.6945457467104819 1000 177.622 0.02 -0.37813587951660566 True matched AlphaFlow Relaxed 15 SER N 116.62576695251465 3.2557887925351974 1000 116.709 0.11 -0.08323304748535065 True matched AlphaFlow Relaxed 15 SER HN 8.370380999088287 0.3974441931717103 1000 8.349 0.02 0.0213809990882865 True matched AlphaFlow Relaxed 15 SER HA 4.397821001768112 0.23197959981087804 1000 False missing_experiment AlphaFlow Relaxed 15 SER CA 58.93441097259522 0.9795630333663032 1000 58.184 0.25 0.750410972595219 True matched AlphaFlow Relaxed 15 SER CB 63.81615099716186 0.8779008203367947 1000 63.871 0.25 -0.05484900283813943 True matched AlphaFlow Relaxed 15 SER C 174.77494792175293 0.752300087768971 1000 174.657 0.02 0.11794792175291491 True matched AlphaFlow Relaxed 16 GLN N 121.01746315765381 2.856373518538229 1000 122.501 0.11 -1.4835368423461972 True matched AlphaFlow Relaxed 16 GLN HN 8.342176000595092 0.41646735345349206 1000 8.513 0.02 -0.17082399940490767 True matched AlphaFlow Relaxed 16 GLN HA 4.322407998323441 0.2097763439164637 1000 False missing_experiment AlphaFlow Relaxed 16 GLN CA 56.67380493927002 1.3637364086305184 1000 56.051 0.25 0.6228049392700186 True matched AlphaFlow Relaxed 16 GLN CB 28.890285970687867 1.03534913505369 1000 29.604 0.25 -0.7137140293121327 True matched AlphaFlow Relaxed 16 GLN C 175.85880584716796 1.090879416581565 1000 176.063 0.02 -0.2041941528320308 True matched AlphaFlow Relaxed 17 GLU N 120.71907598114014 1.972691682447849 1000 121.933 0.11 -1.2139240188598706 True matched AlphaFlow Relaxed 17 GLU HN 8.246114993572235 0.3524161270569631 1000 8.546 0.02 -0.2998850064277647 True matched AlphaFlow Relaxed 17 GLU HA 4.257905001163483 0.17688362276204733 1000 False missing_experiment AlphaFlow Relaxed 17 GLU CA 57.147143035888675 1.4435586369719822 1000 57.067 0.25 0.08014303588867477 True matched AlphaFlow Relaxed 17 GLU CB 29.515086000442505 1.0511302653519294 1000 30.255 0.25 -0.7399139995574942 True matched AlphaFlow Relaxed 17 GLU C 177.0198874053955 1.049960620253149 1000 176.626 0.02 0.39388740539550327 True matched AlphaFlow Relaxed 18 THR N 115.93967991638183 2.80566843962841 1000 114.933 0.11 1.0066799163818274 True matched AlphaFlow Relaxed 18 THR HN 8.229545011043548 0.4106222894094488 1000 8.127 0.02 0.10254501104354752 True matched AlphaFlow Relaxed 18 THR HA 4.2597190041542055 0.2428539505717586 1000 False missing_experiment AlphaFlow Relaxed 18 THR CA 62.658132987976074 1.9776652462066338 1000 62.023 0.25 0.6351329879760712 True matched AlphaFlow Relaxed 18 THR CB 69.42741404724121 1.0413911320523623 1000 69.986 0.25 -0.55858595275879 True matched AlphaFlow Relaxed 18 THR C 175.5835288848877 0.7398008003958618 1000 174.411 0.02 1.1725288848876971 True matched AlphaFlow Relaxed 19 PHE N 122.37132096099853 3.068985657405379 1000 122.317 0.11 0.054320960998538226 True matched AlphaFlow Relaxed 19 PHE HN 8.454797012329102 0.502587186686544 1000 8.261 0.02 0.19379701232910307 True matched AlphaFlow Relaxed 19 PHE HA 4.278162001371384 0.2482116343570453 1000 False missing_experiment AlphaFlow Relaxed 19 PHE CA 60.26237800598145 1.2517833808668362 1000 58.082 0.25 2.1803780059814457 True matched AlphaFlow Relaxed 19 PHE CB 38.63744197845459 0.8820547047176822 1000 39.456 0.25 -0.8185580215454138 True matched AlphaFlow Relaxed 19 PHE C 176.56445538330078 0.702049184552969 1000 175.917 0.02 0.6474553833007803 True matched AlphaFlow Relaxed 20 SER N 114.61118196868897 1.4034890359843173 1000 116.753 0.11 -2.1418180313110327 True matched AlphaFlow Relaxed 20 SER HN 8.105049005508423 0.3819295352238751 1000 8.119 0.02 -0.013950994491576552 True matched AlphaFlow Relaxed 20 SER HA 4.264247995734215 0.34504553750605277 1000 False missing_experiment AlphaFlow Relaxed 20 SER CA 61.21920401763916 0.8941717861137177 1000 58.753 0.25 2.466204017639157 True matched AlphaFlow Relaxed 20 SER CB 62.94042413330078 0.7049072803555351 1000 63.912 0.25 -0.9715758666992187 True matched AlphaFlow Relaxed 20 SER C 176.01317514038087 0.606429900997206 1000 174.511 0.02 1.5021751403808707 True matched AlphaFlow Relaxed 21 ASP N 122.06051593017578 1.4032257382503939 1000 122.139 0.11 -0.07848406982421352 True matched AlphaFlow Relaxed 21 ASP HN 8.033841004371643 0.3222219505139876 1000 8.295 0.02 -0.26115899562835665 True matched AlphaFlow Relaxed 21 ASP HA 4.64596199464798 0.1548513651943637 1000 False missing_experiment AlphaFlow Relaxed 21 ASP CA 56.09096904373169 0.7533684539185972 1000 54.954 0.25 1.136969043731689 True matched AlphaFlow Relaxed 21 ASP CB 41.320700012207034 0.8474373460604347 1000 40.837 0.25 0.48370001220703074 True matched AlphaFlow Relaxed 21 ASP C 177.85837089538575 0.6392763549657926 1000 176.884 0.02 0.9743708953857606 True matched AlphaFlow Relaxed 22 LEU N 120.41821096038818 1.245461496145707 1000 121.145 0.11 -0.7267890396118162 True matched AlphaFlow Relaxed 22 LEU HN 7.867519013881683 0.36840811928359873 1000 7.959 0.02 -0.09148098611831657 True matched AlphaFlow Relaxed 22 LEU HA 4.128740001916885 0.1471242893858397 1000 False missing_experiment AlphaFlow Relaxed 22 LEU CA 57.308543998718264 0.6615988804076294 1000 56.579 0.25 0.7295439987182633 True matched AlphaFlow Relaxed 22 LEU CB 41.82316202545166 0.39981045974703466 1000 41.832 0.25 -0.008837974548342231 True matched AlphaFlow Relaxed 22 LEU C 178.48366206359864 0.7517242072245575 1000 178.050 0.02 0.43366206359863213 True matched AlphaFlow Relaxed 23 TRP N 120.03872492980958 1.8908029445934351 1000 119.387 0.11 0.6517249298095749 True matched AlphaFlow Relaxed 23 TRP HN 7.8575760016441345 0.37387581121710295 1000 7.869 0.02 -0.011423998355865272 True matched AlphaFlow Relaxed 23 TRP HA 4.375660001277923 0.20195197192581796 1000 False missing_experiment AlphaFlow Relaxed 23 TRP CA 59.08572897338867 1.3312172025719493 1000 57.757 0.25 1.328728973388671 True matched AlphaFlow Relaxed 23 TRP CB 29.070777994155883 0.7148545349604942 1000 28.934 0.25 0.13677799415588154 True matched AlphaFlow Relaxed 23 TRP C 177.19652101135253 0.7092040707670413 1000 176.743 0.02 0.4535210113525352 True matched AlphaFlow Relaxed 24 LYS N 117.99126496124268 1.6404613566547337 1000 120.522 0.11 -2.530735038757328 True matched AlphaFlow Relaxed 24 LYS HN 7.747358997821808 0.3054614916377614 1000 7.595 0.02 0.15235899782180784 True matched AlphaFlow Relaxed 24 LYS HA 4.05388399887085 0.30254265208610687 1000 False missing_experiment AlphaFlow Relaxed 24 LYS CA 57.29090197372437 1.1716928756401968 1000 56.945 0.25 0.3459019737243665 True matched AlphaFlow Relaxed 24 LYS CB 31.982200017929078 0.9999764711031603 1000 32.895 0.25 -0.9127999820709256 True matched AlphaFlow Relaxed 24 LYS C 177.05209010314942 0.7203209557377456 1000 176.198 0.02 0.8540901031494172 True matched AlphaFlow Relaxed 25 LEU N 119.10380387115478 1.3899333912473717 1000 120.787 0.11 -1.6831961288452248 True matched AlphaFlow Relaxed 25 LEU HN 7.602816998004913 0.29021790974461076 1000 7.842 0.02 -0.23918300199508646 True matched AlphaFlow Relaxed 25 LEU HA 4.271648002624512 0.1307870812642461 1000 False missing_experiment AlphaFlow Relaxed 25 LEU CA 55.244273078918454 0.7543997749986738 1000 54.975 0.25 0.2692730789184523 True matched AlphaFlow Relaxed 25 LEU CB 42.35742700195313 0.9017790300736107 1000 42.320 0.25 0.03742700195312665 True matched AlphaFlow Relaxed 25 LEU C 176.9041682739258 0.6392779555982705 1000 177.095 0.02 -0.19083172607420806 True matched AlphaFlow Relaxed 26 LEU N 121.00940606689453 1.4881893443195324 1000 123.711 0.11 -2.701593933105471 True matched AlphaFlow Relaxed 26 LEU HN 7.680934997558594 0.29386719832529945 1000 7.934 0.02 -0.2530650024414065 True matched AlphaFlow Relaxed 26 LEU HA 4.5646630012989045 0.18340648790097186 1000 False missing_experiment AlphaFlow Relaxed 26 LEU CA 53.58764497756958 1.6613631477026252 1000 53.025 0.25 0.5626449775695832 True matched AlphaFlow Relaxed 26 LEU CB 41.83247300338745 0.8872263434296535 1000 41.548 0.25 0.28447300338744697 True matched AlphaFlow Relaxed 26 LEU C 175.5741681060791 0.5560725737531577 1000 175.530 0.02 0.04416810607909838 True matched AlphaFlow Relaxed 27 PRO N nan nan 0 False missing_experiment AlphaFlow Relaxed 27 PRO HN nan nan 0 False missing_experiment AlphaFlow Relaxed 27 PRO HA 4.512722008228302 0.14802359707899562 1000 False missing_experiment AlphaFlow Relaxed 27 PRO CA 62.99209605407715 0.568274528743306 1000 63.668 0.25 -0.6759039459228475 True matched AlphaFlow Relaxed 27 PRO CB 31.97013098335266 0.5107522197036953 1000 32.021 0.25 -0.050869016647340004 True matched AlphaFlow Relaxed 27 PRO C 176.4352530670166 0.612731482032692 1000 177.487 0.02 -1.0517469329834057 True matched AlphaFlow Relaxed 28 GLU N 120.20772287750245 0.05417052253487699 1000 119.825 0.11 0.38272287750244516 True matched AlphaFlow Relaxed 28 GLU HN 8.352907018661499 0.0740588449459395 1000 8.727 0.02 -0.3740929813385012 True matched AlphaFlow Relaxed 28 GLU HA 4.3757689967155455 0.05518936268443795 1000 False missing_experiment AlphaFlow Relaxed 28 GLU CA 56.423414962768554 0.047609623760976584 1000 57.189 0.25 -0.7655850372314461 True matched AlphaFlow Relaxed 28 GLU CB 29.73397300338745 0.05179252798079636 1000 29.950 0.25 -0.21602699661254832 True matched AlphaFlow Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction BioEmu Original 1 MET N nan nan 0 False missing_experiment BioEmu Original 1 MET HN nan nan 0 False missing_experiment BioEmu Original 1 MET HA 4.479999999999995 5.3318482460506716e-15 960 False missing_experiment BioEmu Original 1 MET CA 55.30000000000079 7.962226714102337e-13 960 55.706 0.25 -0.4059999999992101 True matched BioEmu Original 1 MET CB 32.59999999999944 5.616213485840041e-13 960 32.671 0.25 -0.07100000000055928 True matched BioEmu Original 1 MET C 176.29999999999896 1.052151387220666e-12 960 176.163 0.02 0.13699999999894885 True matched BioEmu Original 2 GLU N 120.50635208333338 0.6290201766922562 960 121.536 0.11 -1.0296479166666188 True matched BioEmu Original 2 GLU HN 10.797140625000004 0.1465311663319289 960 8.358 0.02 2.439140625000004 True matched BioEmu Original 2 GLU HA 5.065470833333337 0.15986365144236284 960 False missing_experiment BioEmu Original 2 GLU CA 56.961070833333316 0.6743607417347544 960 56.478 0.25 0.4830708333333149 True matched BioEmu Original 2 GLU CB 29.866659375000044 0.6905321636582414 960 30.498 0.25 -0.6313406249999574 True matched BioEmu Original 2 GLU C 176.7770458333335 0.361434472595705 960 176.171 0.02 0.6060458333334964 True matched BioEmu Original 3 GLU N 120.33261041666675 0.938682853676951 960 123.308 0.11 -2.9753895833332535 True matched BioEmu Original 3 GLU HN 9.415094791666656 0.236932377231482 960 8.359 0.02 1.0560947916666557 True matched BioEmu Original 3 GLU HA 4.935413541666666 0.14293971845337852 960 False missing_experiment BioEmu Original 3 GLU CA 55.87018958333339 0.46260531365397184 960 54.304 0.25 1.56618958333339 True matched BioEmu Original 3 GLU CB 29.358139583333354 0.6746096830763313 960 29.868 0.25 -0.5098604166666441 True matched BioEmu Original 3 GLU C 175.72583125000023 0.5265883036744512 960 174.464 0.02 1.2618312500002276 True matched BioEmu Original 4 PRO N nan nan 0 False missing_experiment BioEmu Original 4 PRO HN nan nan 0 False missing_experiment BioEmu Original 4 PRO HA 5.024751041666665 0.13811987018188152 960 False missing_experiment BioEmu Original 4 PRO CA 64.13641875000002 0.4559359710074414 960 63.282 0.25 0.854418750000022 True matched BioEmu Original 4 PRO CB 32.022026041666635 0.47187002720507015 960 32.204 0.25 -0.18197395833336572 True matched BioEmu Original 4 PRO C 177.62045312499998 0.40105575205595645 960 176.995 0.02 0.6254531249999786 True matched BioEmu Original 5 GLN N 119.56473229166679 1.1671084882548743 960 120.976 0.11 -1.411267708333213 True matched BioEmu Original 5 GLN HN 9.469059374999992 0.35680114775054395 960 8.575 0.02 0.8940593749999923 True matched BioEmu Original 5 GLN HA 4.871260416666673 0.19027804389734174 960 False missing_experiment BioEmu Original 5 GLN CA 56.58468020833338 0.7193517116915872 960 55.686 0.25 0.8986802083333814 True matched BioEmu Original 5 GLN CB 28.529449999999986 0.968094189826274 960 29.746 0.25 -1.2165500000000122 True matched BioEmu Original 5 GLN C 176.97170312500026 0.6228875712131942 960 176.034 0.02 0.9377031250002688 True matched BioEmu Original 6 SER N 115.6243760416668 0.9030050210483539 960 117.753 0.11 -2.1286239583331934 True matched BioEmu Original 6 SER HN 9.674690624999993 0.3699702706479551 960 8.400 0.02 1.2746906249999927 True matched BioEmu Original 6 SER HA 4.979330208333325 0.1705849297949787 960 False missing_experiment BioEmu Original 6 SER CA 58.72155520833333 0.5805418032063064 960 58.306 0.25 0.4155552083333305 True matched BioEmu Original 6 SER CB 62.83354895833333 0.7965592441926841 960 64.034 0.25 -1.2004510416666747 True matched BioEmu Original 6 SER C 175.10714999999976 0.4401247600164777 960 173.796 0.02 1.3111499999997704 True matched BioEmu Original 7 ASP N 121.447140625 1.0107279013301462 960 123.666 0.11 -2.218859374999994 True matched BioEmu Original 7 ASP HN 9.092632291666684 0.30145072105601495 960 8.456 0.02 0.6366322916666842 True matched BioEmu Original 7 ASP HA 5.2700229166666706 0.14020257761317306 960 False missing_experiment BioEmu Original 7 ASP CA 53.620003124999975 0.4807514115405732 960 52.368 0.25 1.2520031249999732 True matched BioEmu Original 7 ASP CB 40.46511666666671 0.6934345908118837 960 41.250 0.25 -0.7848833333332905 True matched BioEmu Original 7 ASP C 175.439309375 0.5113874246980836 960 174.768 0.02 0.6713093749999928 True matched BioEmu Original 8 PRO N nan nan 0 False missing_experiment BioEmu Original 8 PRO HN nan nan 0 False missing_experiment BioEmu Original 8 PRO HA 4.909382291666671 0.2554671786206733 960 False missing_experiment BioEmu Original 8 PRO CA 64.53076250000001 0.7242665959668226 960 63.486 0.25 1.0447625000000116 True matched BioEmu Original 8 PRO CB 31.788234375000023 0.5559027419095819 960 32.204 0.25 -0.4157656249999775 True matched BioEmu Original 8 PRO C 178.28852187499984 0.6325327537840386 960 177.153 0.02 1.1355218749998528 True matched BioEmu Original 9 SER N 114.93090312499986 1.170221099752151 960 116.051 0.11 -1.1200968750001437 True matched BioEmu Original 9 SER HN 9.28657604166666 0.4583165555801258 960 8.541 0.02 0.7455760416666593 True matched BioEmu Original 9 SER HA 4.933746875000001 0.18527977179925026 960 False missing_experiment BioEmu Original 9 SER CA 58.98091770833323 0.6023707840867887 960 58.996 0.25 -0.015082291666772107 True matched BioEmu Original 9 SER CB 62.63995104166664 0.7640265342550855 960 63.871 0.25 -1.2310489583333606 True matched BioEmu Original 9 SER C 175.5335260416667 0.5602690878793117 960 174.587 0.02 0.946526041666715 True matched BioEmu Original 10 VAL N 120.36587187500001 1.180414614615976 960 121.109 0.11 -0.7431281249999842 True matched BioEmu Original 10 VAL HN 9.121113541666672 0.4262967074932203 960 7.890 0.02 1.231113541666672 True matched BioEmu Original 10 VAL HA 4.782168750000002 0.22450380616085097 960 False missing_experiment BioEmu Original 10 VAL CA 62.67333854166668 0.8901000664146967 960 61.942 0.25 0.7313385416666804 True matched BioEmu Original 10 VAL CB 31.43589583333329 1.0420124507067456 960 32.915 0.25 -1.4791041666667084 True matched BioEmu Original 10 VAL C 176.54336354166642 0.5243872834745531 960 175.852 0.02 0.6913635416664192 True matched BioEmu Original 11 GLU N 122.7538406250002 1.6729218819674176 960 126.173 0.11 -3.4191593749998077 True matched BioEmu Original 11 GLU HN 9.940156250000022 0.4417426441641069 960 8.357 0.02 1.5831562500000231 True matched BioEmu Original 11 GLU HA 4.942344791666665 0.17116619829556148 960 False missing_experiment BioEmu Original 11 GLU CA 55.953070833333406 0.565876496935946 960 54.264 0.25 1.6890708333334032 True matched BioEmu Original 11 GLU CB 29.15022708333332 0.7727686668107178 960 29.807 0.25 -0.6567729166666787 True matched BioEmu Original 11 GLU C 175.63559166666684 0.4915314366499405 960 173.930 0.02 1.7055916666668338 True matched BioEmu Original 12 PRO N nan nan 0 False missing_experiment BioEmu Original 12 PRO HN nan nan 0 False missing_experiment BioEmu Original 12 PRO HA 5.046278125000006 0.17710087008894618 960 False missing_experiment BioEmu Original 12 PRO CA 63.46068854166656 0.5329633662986898 960 False missing_experiment BioEmu Original 12 PRO CB 31.569411458333324 0.4968879968482272 960 False missing_experiment BioEmu Original 12 PRO C 176.23840312500016 0.40905216744821415 960 False missing_experiment BioEmu Original 13 PRO N nan nan 0 False missing_experiment BioEmu Original 13 PRO HN nan nan 0 False missing_experiment BioEmu Original 13 PRO HA 4.953765624999991 0.17319137872864238 960 False missing_experiment BioEmu Original 13 PRO CA 63.97127500000004 0.6839198736218537 960 62.775 0.25 1.1962750000000426 True matched BioEmu Original 13 PRO CB 31.583028125000023 0.6668576414130494 960 32.103 0.25 -0.5199718749999782 True matched BioEmu Original 13 PRO C 177.7634625000002 0.5796459606317863 960 176.989 0.02 0.7744625000001975 True matched BioEmu Original 14 LEU N 121.4057843750001 1.5454574177905986 960 122.452 0.11 -1.0462156249999026 True matched BioEmu Original 14 LEU HN 9.166038541666673 0.3065848949036205 960 8.363 0.02 0.8030385416666732 True matched BioEmu Original 14 LEU HA 4.926190625000001 0.23244290028574366 960 False missing_experiment BioEmu Original 14 LEU CA 55.62452395833328 1.1907314938986038 960 55.381 0.25 0.24352395833327733 True matched BioEmu Original 14 LEU CB 40.92251145833333 0.8938211382534509 960 42.503 0.25 -1.5804885416666679 True matched BioEmu Original 14 LEU C 178.34536562500014 0.6466360749414372 960 177.622 0.02 0.7233656250001275 True matched BioEmu Original 15 SER N 115.81572499999997 1.311538042495699 960 116.709 0.11 -0.8932750000000311 True matched BioEmu Original 15 SER HN 10.176447916666659 0.42148246165236275 960 8.349 0.02 1.8274479166666584 True matched BioEmu Original 15 SER HA 4.929713541666662 0.2033324717827705 960 False missing_experiment BioEmu Original 15 SER CA 59.066120833333315 0.654127281577521 960 58.184 0.25 0.8821208333333175 True matched BioEmu Original 15 SER CB 63.01285833333341 0.6478384036311264 960 63.871 0.25 -0.8581416666665902 True matched BioEmu Original 15 SER C 175.80246354166667 0.515099377641511 960 174.657 0.02 1.1454635416666576 True matched BioEmu Original 16 GLN N 119.71942916666646 0.8398899955177063 960 122.501 0.11 -2.7815708333335465 True matched BioEmu Original 16 GLN HN 9.601920833333338 0.3770157197710283 960 8.513 0.02 1.0889208333333382 True matched BioEmu Original 16 GLN HA 4.643811458333334 0.3029956222543067 960 False missing_experiment BioEmu Original 16 GLN CA 57.37710729166665 1.1183832569543537 960 56.051 0.25 1.326107291666645 True matched BioEmu Original 16 GLN CB 27.388434375000013 0.6891693023374449 960 29.604 0.25 -2.2155656249999858 True matched BioEmu Original 16 GLN C 177.33567812499982 0.9057869515545538 960 176.063 0.02 1.2726781249998282 True matched BioEmu Original 17 GLU N 120.13630104166675 0.7466105894384888 960 121.933 0.11 -1.796698958333252 True matched BioEmu Original 17 GLU HN 9.512697916666657 0.3597713043658175 960 8.546 0.02 0.9666979166666572 True matched BioEmu Original 17 GLU HA 4.558495833333333 0.31690468888724377 960 False missing_experiment BioEmu Original 17 GLU CA 57.95353750000007 1.0990626410240147 960 57.067 0.25 0.8865375000000668 True matched BioEmu Original 17 GLU CB 28.81074270833335 0.9334004197202007 960 30.255 0.25 -1.4442572916666485 True matched BioEmu Original 17 GLU C 178.24395416666647 0.8318066195509722 960 176.626 0.02 1.6179541666664647 True matched BioEmu Original 18 THR N 113.02910625000011 0.9535934010456056 960 114.933 0.11 -1.9038937499998951 True matched BioEmu Original 18 THR HN 9.30377083333333 0.4060574418383408 960 8.127 0.02 1.1767708333333289 True matched BioEmu Original 18 THR HA 4.704031249999998 0.20775121246331907 960 False missing_experiment BioEmu Original 18 THR CA 63.87412812500002 1.3391548963950035 960 62.023 0.25 1.8511281250000167 True matched BioEmu Original 18 THR CB 68.31301250000003 0.5542196496633738 960 69.986 0.25 -1.6729874999999765 True matched BioEmu Original 18 THR C 176.23619895833318 0.7255163771788354 960 174.411 0.02 1.825198958333175 True matched BioEmu Original 19 PHE N 121.02296979166675 0.8228023189204151 960 122.317 0.11 -1.2940302083332398 True matched BioEmu Original 19 PHE HN 9.063960416666655 0.28877548909673534 960 8.261 0.02 0.8029604166666555 True matched BioEmu Original 19 PHE HA 4.9530260416666705 0.21693255019391952 960 False missing_experiment BioEmu Original 19 PHE CA 59.23409062499998 1.0686250631854055 960 58.082 0.25 1.1520906249999783 True matched BioEmu Original 19 PHE CB 37.8110614583333 0.603511631397846 960 39.456 0.25 -1.6449385416667042 True matched BioEmu Original 19 PHE C 178.35675416666655 0.8383864088694367 960 175.917 0.02 2.439754166666546 True matched BioEmu Original 20 SER N 115.96388333333327 0.49108807172985014 960 116.753 0.11 -0.7891166666667289 True matched BioEmu Original 20 SER HN 9.364213541666663 0.4435332980388229 960 8.119 0.02 1.2452135416666632 True matched BioEmu Original 20 SER HA 4.584808333333326 0.22115248122356254 960 False missing_experiment BioEmu Original 20 SER CA 59.8978104166667 0.7305662091272027 960 58.753 0.25 1.1448104166667008 True matched BioEmu Original 20 SER CB 61.808614583333316 0.6104164217323915 960 63.912 0.25 -2.1033854166666828 True matched BioEmu Original 20 SER C 176.08317604166646 0.5138817346170754 960 174.511 0.02 1.5721760416664665 True matched BioEmu Original 21 ASP N 120.49926979166663 0.6883288895519519 960 122.139 0.11 -1.6397302083333614 True matched BioEmu Original 21 ASP HN 9.245541666666668 0.34070828258196384 960 8.295 0.02 0.950541666666668 True matched BioEmu Original 21 ASP HA 5.023522916666669 0.16098097833808658 960 False missing_experiment BioEmu Original 21 ASP CA 55.648778124999936 0.824421435034879 960 54.954 0.25 0.6947781249999352 True matched BioEmu Original 21 ASP CB 39.77837499999997 0.5002966054558602 960 40.837 0.25 -1.0586250000000348 True matched BioEmu Original 21 ASP C 178.20288437499994 0.6428185509398056 960 176.884 0.02 1.3188843749999535 True matched BioEmu Original 22 LEU N 119.57578229166661 0.7799268123593899 960 121.145 0.11 -1.5692177083333831 True matched BioEmu Original 22 LEU HN 9.192007291666664 0.246806187124806 960 7.959 0.02 1.2330072916666648 True matched BioEmu Original 22 LEU HA 4.695953125 0.1780596697054828 960 False missing_experiment BioEmu Original 22 LEU CA 56.92423437499997 1.0794705641755133 960 56.579 0.25 0.34523437499996845 True matched BioEmu Original 22 LEU CB 39.93723020833329 0.6285690206214786 960 41.832 0.25 -1.894769791666711 True matched BioEmu Original 22 LEU C 179.47046250000025 0.6875047844368546 960 178.050 0.02 1.4204625000002409 True matched BioEmu Original 23 TRP N 121.097778125 0.7030626000164142 960 119.387 0.11 1.7107781250000045 True matched BioEmu Original 23 TRP HN 8.965573958333326 0.33027466489908164 960 7.869 0.02 1.0965739583333267 True matched BioEmu Original 23 TRP HA 4.876866666666676 0.26297640404768874 960 False missing_experiment BioEmu Original 23 TRP CA 59.31698020833324 1.259030463761633 960 57.757 0.25 1.5599802083332435 True matched BioEmu Original 23 TRP CB 28.594590625 0.47900795349949193 960 28.934 0.25 -0.33940937500000246 True matched BioEmu Original 23 TRP C 178.76157604166644 0.9180824944299311 960 176.743 0.02 2.0185760416664493 True matched BioEmu Original 24 LYS N 120.7446687499998 0.6895663389635518 960 120.522 0.11 0.2226687499997979 True matched BioEmu Original 24 LYS HN 9.796252083333332 0.44416647457739566 960 7.595 0.02 2.2012520833333324 True matched BioEmu Original 24 LYS HA 4.718155208333337 0.2449561427280968 960 False missing_experiment BioEmu Original 24 LYS CA 58.20942291666668 1.0934892989983083 960 56.945 0.25 1.2644229166666818 True matched BioEmu Original 24 LYS CB 31.30542604166669 0.7211331952170561 960 32.895 0.25 -1.5895739583333146 True matched BioEmu Original 24 LYS C 178.26333854166657 0.8540992565965797 960 176.198 0.02 2.065338541666563 True matched BioEmu Original 25 LEU N 121.0866656250001 0.911284507302098 960 120.787 0.11 0.2996656250000882 True matched BioEmu Original 25 LEU HN 9.156915625000002 0.41327825458124906 960 7.842 0.02 1.314915625000002 True matched BioEmu Original 25 LEU HA 5.007861458333334 0.14401989266330922 960 False missing_experiment BioEmu Original 25 LEU CA 55.64015312499994 0.73914844367269 960 54.975 0.25 0.6651531249999394 True matched BioEmu Original 25 LEU CB 40.70473437500001 0.7041744404710718 960 42.320 0.25 -1.6152656249999922 True matched BioEmu Original 25 LEU C 178.5729604166669 0.5776139284683317 960 177.095 0.02 1.477960416666889 True matched BioEmu Original 26 LEU N 120.82180937499997 1.5849528363149084 960 123.711 0.11 -2.889190625000026 True matched BioEmu Original 26 LEU HN 8.948023958333328 0.4667333022638135 960 7.934 0.02 1.0140239583333281 True matched BioEmu Original 26 LEU HA 5.082263541666674 0.15698141971429114 960 False missing_experiment BioEmu Original 26 LEU CA 54.21918229166667 0.5154394352054565 960 53.025 0.25 1.194182291666671 True matched BioEmu Original 26 LEU CB 40.927394791666664 0.6354879673088436 960 41.548 0.25 -0.6206052083333375 True matched BioEmu Original 26 LEU C 176.50803124999993 0.4493166878583626 960 175.530 0.02 0.9780312499999297 True matched BioEmu Original 27 PRO N nan nan 0 False missing_experiment BioEmu Original 27 PRO HN nan nan 0 False missing_experiment BioEmu Original 27 PRO HA 5.014128125000001 0.11435429295679535 960 False missing_experiment BioEmu Original 27 PRO CA 63.94101562499998 0.3552229671306257 960 63.668 0.25 0.273015624999978 True matched BioEmu Original 27 PRO CB 31.917380208333334 0.4882779279848763 960 32.021 0.25 -0.10361979166666657 True matched BioEmu Original 27 PRO C 177.28291041666668 0.24567792249507212 960 177.487 0.02 -0.20408958333331384 True matched BioEmu Original 28 GLU N 120.19999999999806 1.9479018925571788e-12 960 119.825 0.11 0.3749999999980531 True matched BioEmu Original 28 GLU HN 8.35999999999986 1.3862805439731748e-13 960 8.727 0.02 -0.36700000000013944 True matched BioEmu Original 28 GLU HA 4.349999999999944 5.5984406583532056e-14 960 False missing_experiment BioEmu Original 28 GLU CA 56.40000000000093 9.31296160310184e-13 960 57.189 0.25 -0.7889999999990707 True matched BioEmu Original 28 GLU CB 29.700000000000482 4.834209076419276e-13 960 29.950 0.25 -0.24999999999951683 True matched BioEmu Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction BioEmu Relaxed 1 MET N nan nan 0 False missing_experiment BioEmu Relaxed 1 MET HN nan nan 0 False missing_experiment BioEmu Relaxed 1 MET HA 4.478376441255476 0.03749715117675162 959 False missing_experiment BioEmu Relaxed 1 MET CA 55.29762510711384 0.04370813761314027 959 55.706 0.25 -0.40837489288616524 True matched BioEmu Relaxed 1 MET CB 32.597234330162394 0.05058965810752113 959 32.671 0.25 -0.07376566983760569 True matched BioEmu Relaxed 1 MET C 176.29886207938569 0.027545803687664242 959 176.163 0.02 0.1358620793856744 True matched BioEmu Relaxed 2 GLU N 119.834773719 1.9034432079449164 959 121.536 0.11 -1.7012262810000038 True matched BioEmu Relaxed 2 GLU HN 8.261623567535432 0.22557212487957212 959 8.358 0.02 -0.0963764324645684 True matched BioEmu Relaxed 2 GLU HA 4.477572471928919 0.15801517312556573 959 False missing_experiment BioEmu Relaxed 2 GLU CA 56.16588739707398 0.5533934341319536 959 56.478 0.25 -0.31211260292602105 True matched BioEmu Relaxed 2 GLU CB 30.008324311846117 0.824693655302524 959 30.498 0.25 -0.4896756881538842 True matched BioEmu Relaxed 2 GLU C 175.6434742566567 0.48584752511952006 959 176.171 0.02 -0.5275257433432898 True matched BioEmu Relaxed 3 GLU N 121.88959639214127 1.4314873567211401 959 123.308 0.11 -1.4184036078587354 True matched BioEmu Relaxed 3 GLU HN 8.21067675062464 0.24281133759763646 959 8.359 0.02 -0.1483232493753608 True matched BioEmu Relaxed 3 GLU HA 4.420383739521158 0.1566802460119298 959 False missing_experiment BioEmu Relaxed 3 GLU CA 55.06023157972986 0.9436425138995083 959 54.304 0.25 0.7562315797298567 True matched BioEmu Relaxed 3 GLU CB 29.46768925958182 0.6659356082041333 959 29.868 0.25 -0.4003107404181776 True matched BioEmu Relaxed 3 GLU C 175.09616174787377 0.4727704924622873 959 174.464 0.02 0.6321617478737664 True matched BioEmu Relaxed 4 PRO N nan nan 0 False missing_experiment BioEmu Relaxed 4 PRO HN nan nan 0 False missing_experiment BioEmu Relaxed 4 PRO HA 4.454087594502661 0.11307348053844703 959 False missing_experiment BioEmu Relaxed 4 PRO CA 63.03078730387285 0.47457537950871104 959 63.282 0.25 -0.2512126961271477 True matched BioEmu Relaxed 4 PRO CB 32.27816166445162 0.5357854521717816 959 32.204 0.25 0.07416166445162276 True matched BioEmu Relaxed 4 PRO C 176.48590003561551 0.48712920252470115 959 176.995 0.02 -0.5090999643844896 True matched BioEmu Relaxed 5 GLN N 121.49006466671622 2.156637224363321 959 120.976 0.11 0.514064666716223 True matched BioEmu Relaxed 5 GLN HN 8.460454638484123 0.27655809530370734 959 8.575 0.02 -0.11454536151587646 True matched BioEmu Relaxed 5 GLN HA 4.3640667370387485 0.18769372007669705 959 False missing_experiment BioEmu Relaxed 5 GLN CA 55.99257875905917 0.7730868828057589 959 55.686 0.25 0.3065787590591711 True matched BioEmu Relaxed 5 GLN CB 29.210192943887243 1.1098070696136983 959 29.746 0.25 -0.5358070561127555 True matched BioEmu Relaxed 5 GLN C 175.64835072060944 0.6860328586781833 959 176.034 0.02 -0.3856492793905488 True matched BioEmu Relaxed 6 SER N 116.61372688937858 2.4068460202442954 959 117.753 0.11 -1.1392731106214171 True matched BioEmu Relaxed 6 SER HN 8.308359742288918 0.31556454202356016 959 8.400 0.02 -0.09164025771108264 True matched BioEmu Relaxed 6 SER HA 4.504956198683372 0.1651924690439599 959 False missing_experiment BioEmu Relaxed 6 SER CA 58.27481232644122 0.7483404311484054 959 58.306 0.25 -0.03118767355877594 True matched BioEmu Relaxed 6 SER CB 63.92701778471532 0.8078000754708745 959 64.034 0.25 -0.10698221528468821 True matched BioEmu Relaxed 6 SER C 173.80052040267165 0.631924080945378 959 173.796 0.02 0.004520402671658985 True matched BioEmu Relaxed 7 ASP N 123.28956831533294 2.104654581524515 959 123.666 0.11 -0.3764316846670539 True matched BioEmu Relaxed 7 ASP HN 8.226681963370664 0.324090141447351 959 8.456 0.02 -0.22931803662933525 True matched BioEmu Relaxed 7 ASP HA 4.819026069422335 0.13860767066476606 959 False missing_experiment BioEmu Relaxed 7 ASP CA 52.80009277471039 0.9245571510323479 959 52.368 0.25 0.43209277471039087 True matched BioEmu Relaxed 7 ASP CB 41.30380814266901 0.9017610600719964 959 41.250 0.25 0.05380814266901268 True matched BioEmu Relaxed 7 ASP C 175.16162667856227 0.73358762617312 959 174.768 0.02 0.3936266785622706 True matched BioEmu Relaxed 8 PRO N nan nan 0 False missing_experiment BioEmu Relaxed 8 PRO HN nan nan 0 False missing_experiment BioEmu Relaxed 8 PRO HA 4.505976017622803 0.12694026834789893 959 False missing_experiment BioEmu Relaxed 8 PRO CA 63.25152339278968 0.6289922113353407 959 63.486 0.25 -0.23447660721031838 True matched BioEmu Relaxed 8 PRO CB 31.980163737307997 0.6338561351120139 959 32.204 0.25 -0.22383626269200363 True matched BioEmu Relaxed 8 PRO C 176.59230238802118 0.5082926640165456 959 177.153 0.02 -0.5606976119788101 True matched BioEmu Relaxed 9 SER N 116.06206864883058 2.4988828993523855 959 116.051 0.11 0.011068648830573125 True matched BioEmu Relaxed 9 SER HN 8.380629831359832 0.3244951332932435 959 8.541 0.02 -0.16037016864016884 True matched BioEmu Relaxed 9 SER HA 4.413638154707065 0.141011892542851 959 False missing_experiment BioEmu Relaxed 9 SER CA 58.83173932820341 0.8488542059738844 959 58.996 0.25 -0.16426067179659043 True matched BioEmu Relaxed 9 SER CB 63.57185503389838 0.9116319388202214 959 63.871 0.25 -0.2991449661016219 True matched BioEmu Relaxed 9 SER C 174.52890398107058 0.7274715454821379 959 174.587 0.02 -0.058096018929404636 True matched BioEmu Relaxed 10 VAL N 121.06134516106408 3.13273532065903 959 121.109 0.11 -0.04765483893591238 True matched BioEmu Relaxed 10 VAL HN 7.885093851059644 0.41218963826508775 959 7.890 0.02 -0.004906148940355237 True matched BioEmu Relaxed 10 VAL HA 4.193810214091392 0.2016310189736077 959 False missing_experiment BioEmu Relaxed 10 VAL CA 62.14738061405695 0.9819577254959296 959 61.942 0.25 0.20538061405694918 True matched BioEmu Relaxed 10 VAL CB 32.737961426019915 1.2208440516306958 959 32.915 0.25 -0.17703857398008438 True matched BioEmu Relaxed 10 VAL C 175.38565069841022 0.6766538644618569 959 175.852 0.02 -0.46634930158978705 True matched BioEmu Relaxed 11 GLU N 124.68086648410005 2.9069729321563726 959 126.173 0.11 -1.4921335158999511 True matched BioEmu Relaxed 11 GLU HN 8.30855891354017 0.29621349014777515 959 8.357 0.02 -0.04844108645982992 True matched BioEmu Relaxed 11 GLU HA 4.4784410872474325 0.168401483994884 959 False missing_experiment BioEmu Relaxed 11 GLU CA 54.89747127178936 1.1365511505843233 959 54.264 0.25 0.6334712717893538 True matched BioEmu Relaxed 11 GLU CB 29.580857158577356 0.7820864595249365 959 29.807 0.25 -0.22614284142264296 True matched BioEmu Relaxed 11 GLU C 175.0654046751784 0.4385142176514197 959 173.930 0.02 1.1354046751783926 True matched BioEmu Relaxed 12 PRO N nan nan 0 False missing_experiment BioEmu Relaxed 12 PRO HN nan nan 0 False missing_experiment BioEmu Relaxed 12 PRO HA 4.610273203586264 0.12499552761494728 959 False missing_experiment BioEmu Relaxed 12 PRO CA 61.98487483274203 0.982225544167498 959 False missing_experiment BioEmu Relaxed 12 PRO CB 31.38020122436587 0.36425535228321543 959 False missing_experiment BioEmu Relaxed 12 PRO C 175.21454629112458 0.3724263499325675 959 False missing_experiment BioEmu Relaxed 13 PRO N nan nan 0 False missing_experiment BioEmu Relaxed 13 PRO HN nan nan 0 False missing_experiment BioEmu Relaxed 13 PRO HA 4.4440698611226646 0.11900862520038578 959 False missing_experiment BioEmu Relaxed 13 PRO CA 63.07395834022817 0.6530311278593642 959 62.775 0.25 0.29895834022816814 True matched BioEmu Relaxed 13 PRO CB 31.959969778130525 0.661617641121694 959 32.103 0.25 -0.143030221869477 True matched BioEmu Relaxed 13 PRO C 176.67045472337009 0.6759085485321104 959 176.989 0.02 -0.31854527662991927 True matched BioEmu Relaxed 14 LEU N 122.68215440386155 3.059300634904629 959 122.452 0.11 0.2301544038615475 True matched BioEmu Relaxed 14 LEU HN 8.216859237742499 0.3620708260834836 959 8.363 0.02 -0.1461407622575006 True matched BioEmu Relaxed 14 LEU HA 4.328584985265643 0.2343174928488707 959 False missing_experiment BioEmu Relaxed 14 LEU CA 55.020988512088906 0.855628665208172 959 55.381 0.25 -0.3600114879110947 True matched BioEmu Relaxed 14 LEU CB 42.04567576101102 1.1290119611263816 959 42.503 0.25 -0.45732423898898134 True matched BioEmu Relaxed 14 LEU C 177.17789464797417 0.7225757917896015 959 177.622 0.02 -0.44410535202584356 True matched BioEmu Relaxed 15 SER N 116.62922113953591 2.808544713593634 959 116.709 0.11 -0.07977886046408855 True matched BioEmu Relaxed 15 SER HN 8.301409811371931 0.3738779204318072 959 8.349 0.02 -0.047590188628069185 True matched BioEmu Relaxed 15 SER HA 4.444178311742757 0.23270702146895805 959 False missing_experiment BioEmu Relaxed 15 SER CA 58.367305489103536 1.016548667224722 959 58.184 0.25 0.18330548910353883 True matched BioEmu Relaxed 15 SER CB 64.11775816916425 1.0932715513643434 959 63.871 0.25 0.2467581691642451 True matched BioEmu Relaxed 15 SER C 174.89036273657965 0.9220315258866271 959 174.657 0.02 0.23336273657963602 True matched BioEmu Relaxed 16 GLN N 122.04523241283746 2.303117885861467 959 122.501 0.11 -0.4557675871625406 True matched BioEmu Relaxed 16 GLN HN 8.532186659334599 0.4956840206426471 959 8.513 0.02 0.019186659334598843 True matched BioEmu Relaxed 16 GLN HA 4.240451513042788 0.2842854055163266 959 False missing_experiment BioEmu Relaxed 16 GLN CA 57.46514600608595 1.6645939278193413 959 56.051 0.25 1.41414600608595 True matched BioEmu Relaxed 16 GLN CB 28.90561628490842 0.9606666122935326 959 29.604 0.25 -0.6983837150915804 True matched BioEmu Relaxed 16 GLN C 176.58004176803126 1.1982658658008394 959 176.063 0.02 0.5170417680312767 True matched BioEmu Relaxed 17 GLU N 120.33730648705061 2.455296542777344 959 121.933 0.11 -1.5956935129493957 True matched BioEmu Relaxed 17 GLU HN 8.508569350953644 0.3583929171278823 959 8.546 0.02 -0.03743064904635496 True matched BioEmu Relaxed 17 GLU HA 4.213828989810565 0.21878476998176405 959 False missing_experiment BioEmu Relaxed 17 GLU CA 57.999558899275826 1.5327382340185463 959 57.067 0.25 0.9325588992758256 True matched BioEmu Relaxed 17 GLU CB 29.25337748084998 1.0827420000012278 959 30.255 0.25 -1.0016225191500183 True matched BioEmu Relaxed 17 GLU C 177.50244115167166 1.269737031271438 959 176.626 0.02 0.8764411516716564 True matched BioEmu Relaxed 18 THR N 114.80381229150034 2.9134259660440187 959 114.933 0.11 -0.12918770849967132 True matched BioEmu Relaxed 18 THR HN 7.954777905540745 0.3835378440856612 959 8.127 0.02 -0.17222209445925607 True matched BioEmu Relaxed 18 THR HA 4.201630869299577 0.2176901972943255 959 False missing_experiment BioEmu Relaxed 18 THR CA 63.77411256219349 1.9799693629184463 959 62.023 0.25 1.7511125621934838 True matched BioEmu Relaxed 18 THR CB 68.86958392544011 0.8867533267222727 959 69.986 0.25 -1.1164160745598934 True matched BioEmu Relaxed 18 THR C 175.3842983464628 1.0689236640194413 959 174.411 0.02 0.9732983464627978 True matched BioEmu Relaxed 19 PHE N 122.04937133948174 2.645155628174563 959 122.317 0.11 -0.2676286605182554 True matched BioEmu Relaxed 19 PHE HN 8.227045879622569 0.5173462807958852 959 8.261 0.02 -0.033954120377430286 True matched BioEmu Relaxed 19 PHE HA 4.3514025027361605 0.3003414688715298 959 False missing_experiment BioEmu Relaxed 19 PHE CA 59.55252344889238 1.7404815396690572 959 58.082 0.25 1.4705234488923793 True matched BioEmu Relaxed 19 PHE CB 38.897909345418 1.1082017074563033 959 39.456 0.25 -0.5580906545820028 True matched BioEmu Relaxed 19 PHE C 176.44510210691578 0.896195978968121 959 175.917 0.02 0.5281021069157816 True matched BioEmu Relaxed 20 SER N 115.55302499208261 1.8696384382451539 959 116.753 0.11 -1.1999750079173879 True matched BioEmu Relaxed 20 SER HN 8.135736183528483 0.4076854897063871 959 8.119 0.02 0.01673618352848294 True matched BioEmu Relaxed 20 SER HA 4.208353497064648 0.4579663193679517 959 False missing_experiment BioEmu Relaxed 20 SER CA 60.937935324978156 1.5079533150960125 959 58.753 0.25 2.184935324978156 True matched BioEmu Relaxed 20 SER CB 63.121520327825614 0.7885787550454219 959 63.912 0.25 -0.790479672174385 True matched BioEmu Relaxed 20 SER C 175.78711976497837 1.0137871872673743 959 174.511 0.02 1.2761197649783753 True matched BioEmu Relaxed 21 ASP N 121.81051721662377 1.748494305093684 959 122.139 0.11 -0.3284827833762307 True matched BioEmu Relaxed 21 ASP HN 8.098009376008767 0.38611075887698787 959 8.295 0.02 -0.19699062399123335 True matched BioEmu Relaxed 21 ASP HA 4.612763298440402 0.18602993104792245 959 False missing_experiment BioEmu Relaxed 21 ASP CA 55.755012468451376 1.0579554135464748 959 54.954 0.25 0.8010124684513755 True matched BioEmu Relaxed 21 ASP CB 41.05154332627345 0.7720373415323134 959 40.837 0.25 0.21454332627344996 True matched BioEmu Relaxed 21 ASP C 177.39578842147174 1.0214732317281616 959 176.884 0.02 0.5117884214717492 True matched BioEmu Relaxed 22 LEU N 120.57144000358701 1.6793004140697376 959 121.145 0.11 -0.5735599964129818 True matched BioEmu Relaxed 22 LEU HN 7.741623566719986 0.381119751033881 959 7.959 0.02 -0.21737643328001344 True matched BioEmu Relaxed 22 LEU HA 4.148631914564417 0.21569248809872588 959 False missing_experiment BioEmu Relaxed 22 LEU CA 56.72918357888899 1.165441913554847 959 56.579 0.25 0.15018357888899203 True matched BioEmu Relaxed 22 LEU CB 41.87015426444808 0.7102449483410915 959 41.832 0.25 0.038154264448081676 True matched BioEmu Relaxed 22 LEU C 178.1170468454689 1.0073544550585587 959 178.050 0.02 0.06704684546889439 True matched BioEmu Relaxed 23 TRP N 119.91902282364798 2.6272397011061126 959 119.387 0.11 0.5320228236479778 True matched BioEmu Relaxed 23 TRP HN 7.854572461220719 0.46132624685607787 959 7.869 0.02 -0.014427538779281157 True matched BioEmu Relaxed 23 TRP HA 4.440326375185635 0.21423091937650174 959 False missing_experiment BioEmu Relaxed 23 TRP CA 58.41649637232234 1.629727596741511 959 57.757 0.25 0.6594963723223444 True matched BioEmu Relaxed 23 TRP CB 28.971992685598426 0.9310634531183698 959 28.934 0.25 0.03799268559842517 True matched BioEmu Relaxed 23 TRP C 176.97164345782045 0.9068198244987726 959 176.743 0.02 0.22864345782045348 True matched BioEmu Relaxed 24 LYS N 118.9447182823396 2.5764381263842235 959 120.522 0.11 -1.5772817176604121 True matched BioEmu Relaxed 24 LYS HN 7.8196412972538765 0.39946513011549006 959 7.595 0.02 0.22464129725387671 True matched BioEmu Relaxed 24 LYS HA 4.148788316406473 0.2955629861435524 959 False missing_experiment BioEmu Relaxed 24 LYS CA 56.96523043460468 1.0983090474882617 959 56.945 0.25 0.020230434604677328 True matched BioEmu Relaxed 24 LYS CB 32.20200101277627 1.1571528733551526 959 32.895 0.25 -0.6929989872237314 True matched BioEmu Relaxed 24 LYS C 176.60117724342066 0.772073783368697 959 176.198 0.02 0.4031772434206573 True matched BioEmu Relaxed 25 LEU N 119.80726064258373 2.3765673888182466 959 120.787 0.11 -0.9797393574162783 True matched BioEmu Relaxed 25 LEU HN 7.740990606413395 0.40126760138376844 959 7.842 0.02 -0.10100939358660455 True matched BioEmu Relaxed 25 LEU HA 4.3153722718808645 0.1869983763489482 959 False missing_experiment BioEmu Relaxed 25 LEU CA 54.89711892343786 0.734218996976009 959 54.975 0.25 -0.07788107656214294 True matched BioEmu Relaxed 25 LEU CB 42.632557885863115 0.9532108554250438 959 42.320 0.25 0.3125578858631144 True matched BioEmu Relaxed 25 LEU C 176.73784784629274 0.636787501380526 959 177.095 0.02 -0.3571521537072613 True matched BioEmu Relaxed 26 LEU N 121.56981229334603 2.0380783499910464 959 123.711 0.11 -2.141187706653966 True matched BioEmu Relaxed 26 LEU HN 7.7670073002048525 0.3787804456563702 959 7.934 0.02 -0.16699269979514764 True matched BioEmu Relaxed 26 LEU HA 4.586836288320882 0.1987615747898359 959 False missing_experiment BioEmu Relaxed 26 LEU CA 53.22606670868906 1.0448154778280068 959 53.025 0.25 0.20106670868906207 True matched BioEmu Relaxed 26 LEU CB 42.0295370338607 1.004545873711154 959 41.548 0.25 0.4815370338606968 True matched BioEmu Relaxed 26 LEU C 175.5616987783295 0.5432275546383462 959 175.530 0.02 0.03169877832948487 True matched BioEmu Relaxed 27 PRO N nan nan 0 False missing_experiment BioEmu Relaxed 27 PRO HN nan nan 0 False missing_experiment BioEmu Relaxed 27 PRO HA 4.554049019271564 0.1558772865623013 959 False missing_experiment BioEmu Relaxed 27 PRO CA 62.82693527985415 0.5111901720156976 959 63.668 0.25 -0.8410647201458517 True matched BioEmu Relaxed 27 PRO CB 32.14931905505804 0.4422574424262657 959 32.021 0.25 0.12831905505803576 True matched BioEmu Relaxed 27 PRO C 176.259995604705 0.4921421262419306 959 177.487 0.02 -1.2270043952949834 True matched BioEmu Relaxed 28 GLU N 120.21256937100567 0.042246802755824084 959 119.825 0.11 0.387569371005668 True matched BioEmu Relaxed 28 GLU HN 8.363894683849823 0.05071187143874176 959 8.727 0.02 -0.36310531615017716 True matched BioEmu Relaxed 28 GLU HA 4.368373311473381 0.04391907443591375 959 False missing_experiment BioEmu Relaxed 28 GLU CA 56.41735755912455 0.04179687386042871 959 57.189 0.25 -0.7716424408754534 True matched BioEmu Relaxed 28 GLU CB 29.718861276588797 0.05082459745219957 959 29.950 0.25 -0.23113872341120256 True matched BioEmu Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction idpSAM Original 1 MET N nan nan 0 False missing_experiment idpSAM Original 1 MET HN nan nan 0 False missing_experiment idpSAM Original 1 MET HA 4.490900000000003 0.4596783399032151 1000 False missing_experiment idpSAM Original 1 MET CA 55.29772100000001 0.11950340674316862 1000 55.706 0.25 -0.4082789999999932 True matched idpSAM Original 1 MET CB 32.59517699999996 0.16683091507638867 1000 32.671 0.25 -0.07582300000004238 True matched idpSAM Original 1 MET C 176.29260499999998 0.11681602183757994 1000 176.163 0.02 0.12960499999996955 True matched idpSAM Original 2 GLU N 121.44410399999995 1.4352594507178402 1000 121.536 0.11 -0.09189600000004816 True matched idpSAM Original 2 GLU HN 8.504913000000009 0.21829472741919134 1000 8.358 0.02 0.1469130000000085 True matched idpSAM Original 2 GLU HA 4.380715000000001 0.17523883823349642 1000 False missing_experiment idpSAM Original 2 GLU CA 56.70045499999994 0.7409500961738382 1000 56.478 0.25 0.22245499999993967 True matched idpSAM Original 2 GLU CB 30.41892900000003 0.5986071085690761 1000 30.498 0.25 -0.07907099999997058 True matched idpSAM Original 2 GLU C 175.99598299999994 0.5440231317498175 1000 176.171 0.02 -0.1750170000000537 True matched idpSAM Original 3 GLU N 121.04640600000003 1.7480503629001174 1000 123.308 0.11 -2.261593999999974 True matched idpSAM Original 3 GLU HN 8.163719999999989 0.27266695962450366 1000 8.359 0.02 -0.195280000000011 True matched idpSAM Original 3 GLU HA 4.484507000000004 0.16790847866682665 1000 False missing_experiment idpSAM Original 3 GLU CA 54.550306 1.1648825879923728 1000 54.304 0.25 0.24630599999999703 True matched idpSAM Original 3 GLU CB 30.07631499999997 0.6869797704299453 1000 29.868 0.25 0.2083149999999705 True matched idpSAM Original 3 GLU C 174.6605220000002 0.5346889261652651 1000 174.464 0.02 0.1965220000002148 True matched idpSAM Original 4 PRO N nan nan 0 False missing_experiment idpSAM Original 4 PRO HN nan nan 0 False missing_experiment idpSAM Original 4 PRO HA 4.3641799999999975 0.483154992053634 1000 False missing_experiment idpSAM Original 4 PRO CA 63.27106499999992 0.5004326524264926 1000 63.282 0.25 -0.010935000000074524 True matched idpSAM Original 4 PRO CB 31.958763999999967 0.6358194056653358 1000 32.204 0.25 -0.24523600000003398 True matched idpSAM Original 4 PRO C 176.10225700000026 0.4199209646678381 1000 176.995 0.02 -0.89274299999974 True matched idpSAM Original 5 GLN N 121.46716600000008 2.257123311670872 1000 120.976 0.11 0.49116600000007793 True matched idpSAM Original 5 GLN HN 8.343476000000003 0.3568414651568049 1000 8.575 0.02 -0.23152399999999673 True matched idpSAM Original 5 GLN HA 4.412125000000005 0.20649910715607536 1000 False missing_experiment idpSAM Original 5 GLN CA 55.56857700000011 0.9161444540746471 1000 55.686 0.25 -0.11742299999988859 True matched idpSAM Original 5 GLN CB 29.98284300000001 1.1680964179350048 1000 29.746 0.25 0.23684300000001102 True matched idpSAM Original 5 GLN C 175.561433 0.6789411510562585 1000 176.034 0.02 -0.47256699999999796 True matched idpSAM Original 6 SER N 116.70075799999981 2.4482815340368655 1000 117.753 0.11 -1.0522420000001915 True matched idpSAM Original 6 SER HN 8.327941999999993 0.3534605423395812 1000 8.400 0.02 -0.07205800000000728 True matched idpSAM Original 6 SER HA 4.4768839999999885 0.1998164586843666 1000 False missing_experiment idpSAM Original 6 SER CA 58.429939999999895 0.9830316880445413 1000 58.306 0.25 0.12393999999989802 True matched idpSAM Original 6 SER CB 64.0710240000001 0.721169568805403 1000 64.034 0.25 0.03702400000008765 True matched idpSAM Original 6 SER C 174.0729339999999 0.6948794190728711 1000 173.796 0.02 0.27693399999989765 True matched idpSAM Original 7 ASP N 122.49572900000014 2.272404005788698 1000 123.666 0.11 -1.1702709999998575 True matched idpSAM Original 7 ASP HN 8.257782999999998 0.30498825509639993 1000 8.456 0.02 -0.19821700000000142 True matched idpSAM Original 7 ASP HA 4.814417999999998 0.16988150871417124 1000 False missing_experiment idpSAM Original 7 ASP CA 52.80185700000003 1.4174309482454674 1000 52.368 0.25 0.4338570000000246 True matched idpSAM Original 7 ASP CB 40.88398500000001 1.0326603527681202 1000 41.250 0.25 -0.3660149999999902 True matched idpSAM Original 7 ASP C 174.93714400000025 0.7154224196252886 1000 174.768 0.02 0.16914400000024443 True matched idpSAM Original 8 PRO N nan nan 0 False missing_experiment idpSAM Original 8 PRO HN nan nan 0 False missing_experiment idpSAM Original 8 PRO HA 4.4626759999999965 0.1712776840953575 1000 False missing_experiment idpSAM Original 8 PRO CA 63.365146 0.5699171556009244 1000 63.486 0.25 -0.12085399999999424 True matched idpSAM Original 8 PRO CB 32.00192600000001 0.6954332519601952 1000 32.204 0.25 -0.20207399999998898 True matched idpSAM Original 8 PRO C 176.2780490000001 0.4698890063379612 1000 177.153 0.02 -0.8749509999998963 True matched idpSAM Original 9 SER N 116.95936600000016 2.609135168282849 1000 116.051 0.11 0.9083660000001572 True matched idpSAM Original 9 SER HN 8.218239999999994 0.3678436261964224 1000 8.541 0.02 -0.32276000000000593 True matched idpSAM Original 9 SER HA 4.448285000000003 0.24981125162097154 1000 False missing_experiment idpSAM Original 9 SER CA 58.44803499999994 1.0035988204294422 1000 58.996 0.25 -0.5479650000000618 True matched idpSAM Original 9 SER CB 63.88811900000003 0.8509101650279828 1000 63.871 0.25 0.017119000000029416 True matched idpSAM Original 9 SER C 174.34085099999976 0.7030335703222146 1000 174.587 0.02 -0.24614900000023 True matched idpSAM Original 10 VAL N 121.00612399999994 3.545169118491062 1000 121.109 0.11 -0.1028760000000517 True matched idpSAM Original 10 VAL HN 7.923740999999996 0.4327912663157602 1000 7.890 0.02 0.03374099999999647 True matched idpSAM Original 10 VAL HA 4.241437000000004 0.21491465361705633 1000 False missing_experiment idpSAM Original 10 VAL CA 61.76624399999997 1.3210794690053387 1000 61.942 0.25 -0.17575600000002822 True matched idpSAM Original 10 VAL CB 33.201871000000025 1.1694427727587862 1000 32.915 0.25 0.2868710000000263 True matched idpSAM Original 10 VAL C 175.54390799999996 0.7398042091011675 1000 175.852 0.02 -0.30809200000004466 True matched idpSAM Original 11 GLU N 122.91212500000007 3.00514280869906 1000 126.173 0.11 -3.2608749999999276 True matched idpSAM Original 11 GLU HN 8.400810000000003 0.3003199660062283 1000 8.357 0.02 0.04381000000000412 True matched idpSAM Original 11 GLU HA 4.457851000000002 0.19119149821053216 1000 False missing_experiment idpSAM Original 11 GLU CA 55.52771899999995 1.6677992296164754 1000 54.264 0.25 1.263718999999945 True matched idpSAM Original 11 GLU CB 29.54044099999998 0.9212578632335074 1000 29.807 0.25 -0.26655900000001864 True matched idpSAM Original 11 GLU C 175.083361 0.44951567160447076 1000 173.930 0.02 1.1533609999999896 True matched idpSAM Original 12 PRO N nan nan 0 False missing_experiment idpSAM Original 12 PRO HN nan nan 0 False missing_experiment idpSAM Original 12 PRO HA 4.509319999999999 0.5317647292998361 1000 False missing_experiment idpSAM Original 12 PRO CA 62.159926999999996 0.8686985004912557 1000 False missing_experiment idpSAM Original 12 PRO CB 31.40114999999998 0.34482198552543275 1000 False missing_experiment idpSAM Original 12 PRO C 175.19997000000006 0.45475735656870164 1000 False missing_experiment idpSAM Original 13 PRO N nan nan 0 False missing_experiment idpSAM Original 13 PRO HN nan nan 0 False missing_experiment idpSAM Original 13 PRO HA 4.380307000000002 0.18243585610452956 1000 False missing_experiment idpSAM Original 13 PRO CA 63.38828500000008 0.6487606771307827 1000 62.775 0.25 0.6132850000000829 True matched idpSAM Original 13 PRO CB 31.845657 0.692626335473602 1000 32.103 0.25 -0.2573430000000023 True matched idpSAM Original 13 PRO C 176.2424580000001 0.5598443193405633 1000 176.989 0.02 -0.7465419999998915 True matched idpSAM Original 14 LEU N 121.989311 3.460262204921158 1000 122.452 0.11 -0.46268899999999746 True matched idpSAM Original 14 LEU HN 7.9451030000000005 0.39854444176661524 1000 8.363 0.02 -0.4178969999999991 True matched idpSAM Original 14 LEU HA 4.478404999999998 0.22417209930119555 1000 False missing_experiment idpSAM Original 14 LEU CA 54.580308000000045 0.9628203727623371 1000 55.381 0.25 -0.8006919999999553 True matched idpSAM Original 14 LEU CB 42.928221999999984 1.3597944048787434 1000 42.503 0.25 0.4252219999999838 True matched idpSAM Original 14 LEU C 176.59896000000012 0.8424135130248842 1000 177.622 0.02 -1.0230399999998951 True matched idpSAM Original 15 SER N 116.49186399999986 2.8835048961272802 1000 116.709 0.11 -0.21713600000013855 True matched idpSAM Original 15 SER HN 8.292461000000003 0.617176226837987 1000 8.349 0.02 -0.05653899999999723 True matched idpSAM Original 15 SER HA 4.5161520000000035 0.28296621136236877 1000 False missing_experiment idpSAM Original 15 SER CA 58.28746299999999 0.859087279375377 1000 58.184 0.25 0.10346299999999076 True matched idpSAM Original 15 SER CB 63.84967100000003 0.8767527976728832 1000 63.871 0.25 -0.021328999999973064 True matched idpSAM Original 15 SER C 174.15985299999977 0.7575032373168752 1000 174.657 0.02 -0.4971470000002398 True matched idpSAM Original 16 GLN N 122.47456900000005 2.7456546010792082 1000 122.501 0.11 -0.02643099999995968 True matched idpSAM Original 16 GLN HN 8.295526999999996 0.6102245252710208 1000 8.513 0.02 -0.21747300000000358 True matched idpSAM Original 16 GLN HA 4.399817000000005 0.23561705988724574 1000 False missing_experiment idpSAM Original 16 GLN CA 55.81416399999998 1.1542034711248959 1000 56.051 0.25 -0.23683600000002514 True matched idpSAM Original 16 GLN CB 29.95322500000002 1.0206014342840513 1000 29.604 0.25 0.3492250000000219 True matched idpSAM Original 16 GLN C 175.67862699999995 0.857887691462093 1000 176.063 0.02 -0.38437300000003916 True matched idpSAM Original 17 GLU N 120.85384499999995 2.312188861296867 1000 121.933 0.11 -1.079155000000057 True matched idpSAM Original 17 GLU HN 8.583672 0.338671224958092 1000 8.546 0.02 0.037672000000000594 True matched idpSAM Original 17 GLU HA 4.244220000000001 0.22143879230780392 1000 False missing_experiment idpSAM Original 17 GLU CA 57.254893999999986 1.1407590367575207 1000 57.067 0.25 0.1878939999999858 True matched idpSAM Original 17 GLU CB 30.06675099999999 0.6822360141314567 1000 30.255 0.25 -0.18824900000000966 True matched idpSAM Original 17 GLU C 176.307947 0.7486354394578266 1000 176.626 0.02 -0.3180529999999919 True matched idpSAM Original 18 THR N 113.94957199999993 3.0244656326662347 1000 114.933 0.11 -0.9834280000000746 True matched idpSAM Original 18 THR HN 7.930250999999999 0.3494005591720619 1000 8.127 0.02 -0.1967490000000014 True matched idpSAM Original 18 THR HA 4.2817479999999986 0.2344152277370114 1000 False missing_experiment idpSAM Original 18 THR CA 62.286721000000014 1.1974961177854024 1000 62.023 0.25 0.263721000000011 True matched idpSAM Original 18 THR CB 69.17844599999998 0.8715749261744148 1000 69.986 0.25 -0.8075540000000245 True matched idpSAM Original 18 THR C 173.88783799999993 0.663028915733771 1000 174.411 0.02 -0.5231620000000703 True matched idpSAM Original 19 PHE N 122.75719600000004 3.032407199405615 1000 122.317 0.11 0.4401960000000429 True matched idpSAM Original 19 PHE HN 8.044231000000003 0.5072213235956372 1000 8.261 0.02 -0.21676899999999577 True matched idpSAM Original 19 PHE HA 4.701318 0.25915641787330856 1000 False missing_experiment idpSAM Original 19 PHE CA 57.50873400000001 1.1782989542852316 1000 58.082 0.25 -0.5732659999999896 True matched idpSAM Original 19 PHE CB 40.062621999999955 1.2624204372856436 1000 39.456 0.25 0.6066219999999518 True matched idpSAM Original 19 PHE C 175.40584700000005 0.8726227604601386 1000 175.917 0.02 -0.5111529999999505 True matched idpSAM Original 20 SER N 116.68473099999993 2.3271973031797124 1000 116.753 0.11 -0.06826900000007186 True matched idpSAM Original 20 SER HN 8.24627199999999 0.5101824773315683 1000 8.119 0.02 0.12727199999999073 True matched idpSAM Original 20 SER HA 4.3925019999999995 0.5568707453467302 1000 False missing_experiment idpSAM Original 20 SER CA 58.67509000000003 1.3088197458118627 1000 58.753 0.25 -0.07790999999996728 True matched idpSAM Original 20 SER CB 64.18870500000001 0.9222959871228237 1000 63.912 0.25 0.27670500000001397 True matched idpSAM Original 20 SER C 174.42856199999983 0.8288193709763935 1000 174.511 0.02 -0.08243800000016677 True matched idpSAM Original 21 ASP N 121.12757100000012 2.232569745075308 1000 122.139 0.11 -1.011428999999879 True matched idpSAM Original 21 ASP HN 8.393943999999996 0.3798372324920069 1000 8.295 0.02 0.09894399999999592 True matched idpSAM Original 21 ASP HA 4.6175100000000056 0.22830281223426513 1000 False missing_experiment idpSAM Original 21 ASP CA 54.77195299999997 1.1820358012456427 1000 54.954 0.25 -0.1820470000000327 True matched idpSAM Original 21 ASP CB 40.779911000000034 0.936583981623449 1000 40.837 0.25 -0.0570889999999693 True matched idpSAM Original 21 ASP C 175.86064099999987 0.9281681120159011 1000 176.884 0.02 -1.023359000000113 True matched idpSAM Original 22 LEU N 120.26096999999986 2.6993371735069123 1000 121.145 0.11 -0.8840300000001378 True matched idpSAM Original 22 LEU HN 7.776575999999988 0.4514979364411429 1000 7.959 0.02 -0.1824240000000117 True matched idpSAM Original 22 LEU HA 4.453729000000002 0.2765319574343669 1000 False missing_experiment idpSAM Original 22 LEU CA 54.894489000000085 1.13037065057736 1000 56.579 0.25 -1.6845109999999153 True matched idpSAM Original 22 LEU CB 42.90792900000006 1.1479175243028592 1000 41.832 0.25 1.075929000000059 True matched idpSAM Original 22 LEU C 176.43873100000002 0.9773876463564761 1000 178.050 0.02 -1.611268999999993 True matched idpSAM Original 23 TRP N 121.89530100000003 3.6975502406568035 1000 119.387 0.11 2.5083010000000314 True matched idpSAM Original 23 TRP HN 8.101195999999998 0.4880616413423102 1000 7.869 0.02 0.2321959999999983 True matched idpSAM Original 23 TRP HA 4.701479000000003 0.34374227600240165 1000 False missing_experiment idpSAM Original 23 TRP CA 57.203539000000035 1.3946390344872448 1000 57.757 0.25 -0.5534609999999631 True matched idpSAM Original 23 TRP CB 29.94306500000001 1.1828813816854749 1000 28.934 0.25 1.0090650000000103 True matched idpSAM Original 23 TRP C 175.84860499999994 0.8891834164687973 1000 176.743 0.02 -0.8943950000000598 True matched idpSAM Original 24 LYS N 120.72079000000012 3.183610609734555 1000 120.522 0.11 0.19879000000011615 True matched idpSAM Original 24 LYS HN 8.094622000000008 0.6406777763658796 1000 7.595 0.02 0.49962200000000845 True matched idpSAM Original 24 LYS HA 4.353298999999995 0.28682901611148676 1000 False missing_experiment idpSAM Original 24 LYS CA 56.142835999999996 1.2720439233166618 1000 56.945 0.25 -0.8021640000000048 True matched idpSAM Original 24 LYS CB 33.426539 1.3147032642966068 1000 32.895 0.25 0.5315389999999951 True matched idpSAM Original 24 LYS C 175.95906300000001 0.9296116656324186 1000 176.198 0.02 -0.23893699999999285 True matched idpSAM Original 25 LEU N 121.59932399999987 3.235569188720743 1000 120.787 0.11 0.8123239999998617 True matched idpSAM Original 25 LEU HN 8.146760999999996 0.5596297198168644 1000 7.842 0.02 0.3047609999999965 True matched idpSAM Original 25 LEU HA 4.396203999999998 0.2629856609053844 1000 False missing_experiment idpSAM Original 25 LEU CA 54.99318699999999 0.9796794229761095 1000 54.975 0.25 0.018186999999990405 True matched idpSAM Original 25 LEU CB 42.757540000000034 1.0321376965427749 1000 42.320 0.25 0.437540000000034 True matched idpSAM Original 25 LEU C 176.20788299999995 0.843290239323769 1000 177.095 0.02 -0.8871170000000461 True matched idpSAM Original 26 LEU N 122.7150709999999 3.8835079394633496 1000 123.711 0.11 -0.9959290000001033 True matched idpSAM Original 26 LEU HN 8.000719000000002 0.40432485531763657 1000 7.934 0.02 0.06671900000000175 True matched idpSAM Original 26 LEU HA 4.674502000000001 0.238362746239413 1000 False missing_experiment idpSAM Original 26 LEU CA 52.82910999999997 1.0133795093300095 1000 53.025 0.25 -0.195890000000027 True matched idpSAM Original 26 LEU CB 42.49445299999995 1.0692877789188213 1000 41.548 0.25 0.9464529999999485 True matched idpSAM Original 26 LEU C 175.47933100000003 1.138074194554692 1000 175.530 0.02 -0.050668999999970765 True matched idpSAM Original 27 PRO N nan nan 0 False missing_experiment idpSAM Original 27 PRO HN nan nan 0 False missing_experiment idpSAM Original 27 PRO HA 4.4540660000000045 0.16889533824022285 1000 False missing_experiment idpSAM Original 27 PRO CA 63.32785700000005 0.6784909612776983 1000 63.668 0.25 -0.3401429999999479 True matched idpSAM Original 27 PRO CB 32.12404699999999 0.36303847140864176 1000 32.021 0.25 0.10304699999998945 True matched idpSAM Original 27 PRO C 176.43956400000002 0.3810173619851651 1000 177.487 0.02 -1.0474359999999763 True matched idpSAM Original 28 GLU N 120.19248200000006 0.0695433386598022 1000 119.825 0.11 0.36748200000005227 True matched idpSAM Original 28 GLU HN 8.335298000000007 0.0989194027693466 1000 8.727 0.02 -0.39170199999999333 True matched idpSAM Original 28 GLU HA 4.339683 0.12635732144867484 1000 False missing_experiment idpSAM Original 28 GLU CA 56.39109599999996 0.08494494939917514 1000 57.189 0.25 -0.7979040000000381 True matched idpSAM Original 28 GLU CB 29.691650999999947 0.09900188165672205 1000 29.950 0.25 -0.25834900000005234 True matched idpSAM Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction idpSAM Relaxed 1 MET N nan nan 0 False missing_experiment idpSAM Relaxed 1 MET HN nan nan 0 False missing_experiment idpSAM Relaxed 1 MET HA 4.428502001241596 0.23765031297829384 998 False missing_experiment idpSAM Relaxed 1 MET CA 55.25412919573889 0.16175838784392516 998 55.706 0.25 -0.45187080426111237 True matched idpSAM Relaxed 1 MET CB 32.55131661485814 0.1628080631032459 998 32.671 0.25 -0.11968338514186172 True matched idpSAM Relaxed 1 MET C 176.27606083443743 0.10653296113194302 998 176.163 0.02 0.11306083443741954 True matched idpSAM Relaxed 2 GLU N 120.773689331177 1.7178121093633743 998 121.536 0.11 -0.7623106688230052 True matched idpSAM Relaxed 2 GLU HN 8.437723451721405 0.26293312464101604 998 8.358 0.02 0.07972345172140471 True matched idpSAM Relaxed 2 GLU HA 4.383975957104104 0.18770317758566196 998 False missing_experiment idpSAM Relaxed 2 GLU CA 56.705167349928125 0.9059278468738804 998 56.478 0.25 0.22716734992812349 True matched idpSAM Relaxed 2 GLU CB 29.985950926740568 0.8340638263304511 998 30.498 0.25 -0.5120490732594334 True matched idpSAM Relaxed 2 GLU C 175.9980730351083 0.583535692609688 998 176.171 0.02 -0.17292696489170112 True matched idpSAM Relaxed 3 GLU N 120.72763830578637 1.775775712114478 998 123.308 0.11 -2.580361694213636 True matched idpSAM Relaxed 3 GLU HN 8.148581164155551 0.2991289328098606 998 8.359 0.02 -0.21041883584444854 True matched idpSAM Relaxed 3 GLU HA 4.508444890708388 0.1910218404097465 998 False missing_experiment idpSAM Relaxed 3 GLU CA 54.516329606692636 1.298166961595119 998 54.304 0.25 0.21232960669263434 True matched idpSAM Relaxed 3 GLU CB 29.63412124121595 0.9696496382756233 998 29.868 0.25 -0.23387875878404785 True matched idpSAM Relaxed 3 GLU C 174.91003300240618 0.5860818427047174 998 174.464 0.02 0.4460330024061818 True matched idpSAM Relaxed 4 PRO N nan nan 0 False missing_experiment idpSAM Relaxed 4 PRO HN nan nan 0 False missing_experiment idpSAM Relaxed 4 PRO HA 4.422504009249693 0.24506752482733898 998 False missing_experiment idpSAM Relaxed 4 PRO CA 63.10499197399927 0.6317655537496429 998 63.282 0.25 -0.17700802600072763 True matched idpSAM Relaxed 4 PRO CB 31.775048076270338 0.8095022611867594 998 32.204 0.25 -0.42895192372966306 True matched idpSAM Relaxed 4 PRO C 176.30136441706657 0.487679968526116 998 176.995 0.02 -0.6936355829334389 True matched idpSAM Relaxed 5 GLN N 121.18885976756981 2.731380139170301 998 120.976 0.11 0.2128597675698103 True matched idpSAM Relaxed 5 GLN HN 8.302572156241041 0.3790478276729658 998 8.575 0.02 -0.27242784375895823 True matched idpSAM Relaxed 5 GLN HA 4.32145089998035 0.22770908563930242 998 False missing_experiment idpSAM Relaxed 5 GLN CA 55.96190877237874 0.9422573673297834 998 55.686 0.25 0.2759087723787417 True matched idpSAM Relaxed 5 GLN CB 29.30815930834753 1.2551013471379249 998 29.746 0.25 -0.4378406916524682 True matched idpSAM Relaxed 5 GLN C 175.7174780622035 0.7886334760966263 998 176.034 0.02 -0.3165219377964945 True matched idpSAM Relaxed 6 SER N 116.62683455595273 2.759611721962606 998 117.753 0.11 -1.126165444047274 True matched idpSAM Relaxed 6 SER HN 8.32816532618536 0.3964670489734496 998 8.400 0.02 -0.07183467381464048 True matched idpSAM Relaxed 6 SER HA 4.477291587837234 0.20750552832481187 998 False missing_experiment idpSAM Relaxed 6 SER CA 58.46106618678642 1.0303223897552531 998 58.306 0.25 0.1550661867864207 True matched idpSAM Relaxed 6 SER CB 63.998606179185764 0.8756653332134626 998 64.034 0.25 -0.03539382081424236 True matched idpSAM Relaxed 6 SER C 173.88196505621104 0.7263649319070279 998 173.796 0.02 0.08596505621105166 True matched idpSAM Relaxed 7 ASP N 122.30495087464969 2.25479644357841 998 123.666 0.11 -1.3610491253503056 True matched idpSAM Relaxed 7 ASP HN 8.2295911856787 0.3763247071210483 998 8.456 0.02 -0.22640881432129945 True matched idpSAM Relaxed 7 ASP HA 4.801847697737699 0.19388759070862846 998 False missing_experiment idpSAM Relaxed 7 ASP CA 53.08482764861388 1.4789348591834373 998 52.368 0.25 0.7168276486138794 True matched idpSAM Relaxed 7 ASP CB 41.06188978986415 1.2152538234903218 998 41.250 0.25 -0.1881102101358465 True matched idpSAM Relaxed 7 ASP C 174.94281067016846 0.7788904445596169 998 174.768 0.02 0.17481067016845486 True matched idpSAM Relaxed 8 PRO N nan nan 0 False missing_experiment idpSAM Relaxed 8 PRO HN nan nan 0 False missing_experiment idpSAM Relaxed 8 PRO HA 4.510425854780392 0.18188121490404324 998 False missing_experiment idpSAM Relaxed 8 PRO CA 63.16825843765167 0.6038647469833046 998 63.486 0.25 -0.3177415623483242 True matched idpSAM Relaxed 8 PRO CB 31.75044789247379 0.7793012968041271 998 32.204 0.25 -0.45355210752621034 True matched idpSAM Relaxed 8 PRO C 176.49050103686378 0.5331596439680258 998 177.153 0.02 -0.6624989631362155 True matched idpSAM Relaxed 9 SER N 116.66752203289636 2.6281084164349764 998 116.051 0.11 0.6165220328963557 True matched idpSAM Relaxed 9 SER HN 8.33946492772303 0.3788116676693956 998 8.541 0.02 -0.20153507227696998 True matched idpSAM Relaxed 9 SER HA 4.420523052941821 0.18978761012071374 998 False missing_experiment idpSAM Relaxed 9 SER CA 58.77835068100679 1.0218492107689647 998 58.996 0.25 -0.21764931899321027 True matched idpSAM Relaxed 9 SER CB 63.64088279785278 1.037209229696994 998 63.871 0.25 -0.23011720214721976 True matched idpSAM Relaxed 9 SER C 174.30358808742974 0.7643134626755369 998 174.587 0.02 -0.28341191257024434 True matched idpSAM Relaxed 10 VAL N 120.45642975098146 3.1458358427868545 998 121.109 0.11 -0.6525702490185381 True matched idpSAM Relaxed 10 VAL HN 7.868174348899979 0.47586564531125825 998 7.890 0.02 -0.02182565110002077 True matched idpSAM Relaxed 10 VAL HA 4.2206933835226454 0.22243899862345112 998 False missing_experiment idpSAM Relaxed 10 VAL CA 61.877367700030184 1.335418623226535 998 61.942 0.25 -0.06463229996981568 True matched idpSAM Relaxed 10 VAL CB 33.11613027270667 1.2854035716014098 998 32.915 0.25 0.2011302727066706 True matched idpSAM Relaxed 10 VAL C 175.36246207625211 0.8266068964398556 998 175.852 0.02 -0.4895379237478892 True matched idpSAM Relaxed 11 GLU N 123.4331292590063 2.9821539776155856 998 126.173 0.11 -2.739870740993709 True matched idpSAM Relaxed 11 GLU HN 8.425116232736316 0.3044626098632216 998 8.357 0.02 0.06811623273631717 True matched idpSAM Relaxed 11 GLU HA 4.458122250073419 0.1901312181935424 998 False missing_experiment idpSAM Relaxed 11 GLU CA 55.5257594695311 1.7104307498115872 998 54.264 0.25 1.2617594695310999 True matched idpSAM Relaxed 11 GLU CB 29.35346392018045 0.9467629973840631 998 29.807 0.25 -0.4535360798195498 True matched idpSAM Relaxed 11 GLU C 175.05760023159112 0.4321045361732606 998 173.930 0.02 1.127600231591117 True matched idpSAM Relaxed 12 PRO N nan nan 0 False missing_experiment idpSAM Relaxed 12 PRO HN nan nan 0 False missing_experiment idpSAM Relaxed 12 PRO HA 4.597838678197536 0.16825084814252222 998 False missing_experiment idpSAM Relaxed 12 PRO CA 61.88908007436382 0.9376096083329319 998 False missing_experiment idpSAM Relaxed 12 PRO CB 31.321391753538816 0.42352349011289764 998 False missing_experiment idpSAM Relaxed 12 PRO C 175.2157544153248 0.41650962660780366 998 False missing_experiment idpSAM Relaxed 13 PRO N nan nan 0 False missing_experiment idpSAM Relaxed 13 PRO HN nan nan 0 False missing_experiment idpSAM Relaxed 13 PRO HA 4.4127625243697235 0.21606441308086335 998 False missing_experiment idpSAM Relaxed 13 PRO CA 63.19523244487021 0.6389738281145655 998 62.775 0.25 0.4202324448702086 True matched idpSAM Relaxed 13 PRO CB 31.664504007251562 0.8316540514987288 998 32.103 0.25 -0.43849599274843953 True matched idpSAM Relaxed 13 PRO C 176.3021490521326 0.6083756202324113 998 176.989 0.02 -0.6868509478674127 True matched idpSAM Relaxed 14 LEU N 122.46754704783102 3.358398371087643 998 122.452 0.11 0.015547047831020677 True matched idpSAM Relaxed 14 LEU HN 8.031078158495182 0.43823476941030526 998 8.363 0.02 -0.3319218415048173 True matched idpSAM Relaxed 14 LEU HA 4.421525054083081 0.25076716671103505 998 False missing_experiment idpSAM Relaxed 14 LEU CA 54.747310550513866 0.9459559405867926 998 55.381 0.25 -0.633689449486134 True matched idpSAM Relaxed 14 LEU CB 42.68005209026451 1.5343174255426764 998 42.503 0.25 0.1770520902645103 True matched idpSAM Relaxed 14 LEU C 176.61802301808206 0.9077867157861552 998 177.622 0.02 -1.0039769819179583 True matched idpSAM Relaxed 15 SER N 116.35225240978784 2.8658042852330197 998 116.709 0.11 -0.35674759021216573 True matched idpSAM Relaxed 15 SER HN 8.257711425334035 0.43494456868708575 998 8.349 0.02 -0.09128857466596507 True matched idpSAM Relaxed 15 SER HA 4.478389784186064 0.29264806370746976 998 False missing_experiment idpSAM Relaxed 15 SER CA 58.357397828646796 0.9215143897274178 998 58.184 0.25 0.17339782864679876 True matched idpSAM Relaxed 15 SER CB 63.74740882674774 1.0340829323099516 998 63.871 0.25 -0.12359117325226521 True matched idpSAM Relaxed 15 SER C 173.98573535621045 0.7487006476588721 998 174.657 0.02 -0.6712646437895557 True matched idpSAM Relaxed 16 GLN N 121.90579362001591 2.5375124562337397 998 122.501 0.11 -0.5952063799840914 True matched idpSAM Relaxed 16 GLN HN 8.18841581975291 0.4494479752896229 998 8.513 0.02 -0.3245841802470899 True matched idpSAM Relaxed 16 GLN HA 4.396245489617388 0.23393286566725716 998 False missing_experiment idpSAM Relaxed 16 GLN CA 55.83557313143132 1.0514018423650175 998 56.051 0.25 -0.21542686856868443 True matched idpSAM Relaxed 16 GLN CB 29.843849673299847 1.0991024238858003 998 29.604 0.25 0.2398496732998474 True matched idpSAM Relaxed 16 GLN C 175.61631274940018 0.929958714179722 998 176.063 0.02 -0.4466872505998083 True matched idpSAM Relaxed 17 GLU N 121.14320946886448 2.4598170800359975 998 121.933 0.11 -0.7897905311355231 True matched idpSAM Relaxed 17 GLU HN 8.596009005047755 0.36562069040669726 998 8.546 0.02 0.050009005047755295 True matched idpSAM Relaxed 17 GLU HA 4.260951902441128 0.23469173975759475 998 False missing_experiment idpSAM Relaxed 17 GLU CA 57.309290627917214 1.1972912757217302 998 57.067 0.25 0.2422906279172139 True matched idpSAM Relaxed 17 GLU CB 29.603314640526783 0.9798836730213859 998 30.255 0.25 -0.6516853594732162 True matched idpSAM Relaxed 17 GLU C 176.42661117217344 0.7973168868954499 998 176.626 0.02 -0.1993888278265672 True matched idpSAM Relaxed 18 THR N 113.85192676154311 3.323515952267012 998 114.933 0.11 -1.081073238456895 True matched idpSAM Relaxed 18 THR HN 7.908354708570278 0.400274520726226 998 8.127 0.02 -0.21864529142972255 True matched idpSAM Relaxed 18 THR HA 4.278584167092501 0.2498101022861365 998 False missing_experiment idpSAM Relaxed 18 THR CA 62.18777656555176 1.1721389987689983 998 62.023 0.25 0.16477656555175457 True matched idpSAM Relaxed 18 THR CB 69.09346993700535 1.0875900712693376 998 69.986 0.25 -0.892530062994652 True matched idpSAM Relaxed 18 THR C 173.99397580561515 0.7917847431395352 998 174.411 0.02 -0.41702419438485094 True matched idpSAM Relaxed 19 PHE N 122.62019240354488 2.984510006743692 998 122.317 0.11 0.30319240354488386 True matched idpSAM Relaxed 19 PHE HN 8.047331677648968 0.5050935676526247 998 8.261 0.02 -0.2136683223510314 True matched idpSAM Relaxed 19 PHE HA 4.582271542960035 0.327932889434409 998 False missing_experiment idpSAM Relaxed 19 PHE CA 57.667228477034634 1.2830345587676915 998 58.082 0.25 -0.414771522965367 True matched idpSAM Relaxed 19 PHE CB 39.815217429029204 1.4987908950628333 998 39.456 0.25 0.35921742902920073 True matched idpSAM Relaxed 19 PHE C 175.35504810891314 0.967469617031893 998 175.917 0.02 -0.5619518910868635 True matched idpSAM Relaxed 20 SER N 116.55844085632202 2.4026807928999134 998 116.753 0.11 -0.19455914367797789 True matched idpSAM Relaxed 20 SER HN 8.131869751848056 0.5676446485736626 998 8.119 0.02 0.012869751848056055 True matched idpSAM Relaxed 20 SER HA 4.384771542702027 0.3221853045033383 998 False missing_experiment idpSAM Relaxed 20 SER CA 58.70805610779053 1.3774647619752538 998 58.753 0.25 -0.04494389220946715 True matched idpSAM Relaxed 20 SER CB 63.9872224268789 1.0633836296796557 998 63.912 0.25 0.07522242687890213 True matched idpSAM Relaxed 20 SER C 174.24193797751752 0.9472519278074503 998 174.511 0.02 -0.2690620224824727 True matched idpSAM Relaxed 21 ASP N 121.1061322321156 2.2710875990298587 998 122.139 0.11 -1.0328677678843974 True matched idpSAM Relaxed 21 ASP HN 8.303557115470719 0.4802364349101145 998 8.295 0.02 0.008557115470718912 True matched idpSAM Relaxed 21 ASP HA 4.556787572786182 0.261093750831201 998 False missing_experiment idpSAM Relaxed 21 ASP CA 54.89262625210748 1.2138041315980048 998 54.954 0.25 -0.06137374789251737 True matched idpSAM Relaxed 21 ASP CB 40.84741683378965 1.0733950563573444 998 40.837 0.25 0.010416833789648194 True matched idpSAM Relaxed 21 ASP C 175.96971951410146 1.0304569113723316 998 176.884 0.02 -0.9142804858985301 True matched idpSAM Relaxed 22 LEU N 120.32346994556741 2.5624884537515658 998 121.145 0.11 -0.8215300544325856 True matched idpSAM Relaxed 22 LEU HN 7.826484973540526 0.464470469821528 998 7.959 0.02 -0.13251502645947344 True matched idpSAM Relaxed 22 LEU HA 4.337659318365889 0.3211641391362151 998 False missing_experiment idpSAM Relaxed 22 LEU CA 54.98134266732929 1.1264875211980985 998 56.579 0.25 -1.597657332670714 True matched idpSAM Relaxed 22 LEU CB 42.318476885258555 1.4042094167052759 998 41.832 0.25 0.48647688525855415 True matched idpSAM Relaxed 22 LEU C 176.58099883543943 1.0657181797659632 998 178.050 0.02 -1.4690011645605807 True matched idpSAM Relaxed 23 TRP N 121.61979660003601 3.556423400781428 998 119.387 0.11 2.2327966000360107 True matched idpSAM Relaxed 23 TRP HN 8.015920835888696 0.5325192065849947 998 7.869 0.02 0.14692083588869664 True matched idpSAM Relaxed 23 TRP HA 4.61156813582342 0.3147192761044586 998 False missing_experiment idpSAM Relaxed 23 TRP CA 57.07108314147215 1.4700977590481787 998 57.757 0.25 -0.6859168585278468 True matched idpSAM Relaxed 23 TRP CB 29.57059320514809 1.5115123215833939 998 28.934 0.25 0.6365932051480883 True matched idpSAM Relaxed 23 TRP C 175.86481373391314 0.8973228323913282 998 176.743 0.02 -0.8781862660868569 True matched idpSAM Relaxed 24 LYS N 120.73981353515136 3.3103619147423364 998 120.522 0.11 0.21781353515135038 True matched idpSAM Relaxed 24 LYS HN 8.007158312864437 0.53865513887652 998 7.595 0.02 0.41215831286443727 True matched idpSAM Relaxed 24 LYS HA 4.309566137308109 0.33852683395837596 998 False missing_experiment idpSAM Relaxed 24 LYS CA 56.05899796266116 1.2525357004818622 998 56.945 0.25 -0.8860020373388409 True matched idpSAM Relaxed 24 LYS CB 33.21842084475653 1.5611175645623958 998 32.895 0.25 0.32342084475652655 True matched idpSAM Relaxed 24 LYS C 175.77702288732738 0.9579580313930738 998 176.198 0.02 -0.42097711267263094 True matched idpSAM Relaxed 25 LEU N 121.48677653922347 3.2062550409506567 998 120.787 0.11 0.6997765392234641 True matched idpSAM Relaxed 25 LEU HN 8.103590187424409 0.5266102806557661 998 7.842 0.02 0.2615901874244093 True matched idpSAM Relaxed 25 LEU HA 4.376273545569074 0.28333835835461735 998 False missing_experiment idpSAM Relaxed 25 LEU CA 55.00671041943506 0.9227823283695055 998 54.975 0.25 0.0317104194350577 True matched idpSAM Relaxed 25 LEU CB 42.85261223359194 1.3244115324626204 998 42.320 0.25 0.5326122335919408 True matched idpSAM Relaxed 25 LEU C 176.01404485912744 0.8931641149677365 998 177.095 0.02 -1.080955140872561 True matched idpSAM Relaxed 26 LEU N 122.24245078291348 3.5604834875412443 998 123.711 0.11 -1.4685492170865189 True matched idpSAM Relaxed 26 LEU HN 8.020992977585726 0.436068731936255 998 7.934 0.02 0.08699297758572566 True matched idpSAM Relaxed 26 LEU HA 4.684264521321696 0.2238784287395436 998 False missing_experiment idpSAM Relaxed 26 LEU CA 53.04790385213787 1.0890171936971527 998 53.025 0.25 0.022903852137872605 True matched idpSAM Relaxed 26 LEU CB 42.71375156547837 1.3125032317981025 998 41.548 0.25 1.1657515654783666 True matched idpSAM Relaxed 26 LEU C 175.51719157920334 0.7441532543543413 998 175.530 0.02 -0.012808420796659448 True matched idpSAM Relaxed 27 PRO N nan nan 0 False missing_experiment idpSAM Relaxed 27 PRO HN nan nan 0 False missing_experiment idpSAM Relaxed 27 PRO HA 4.534030062402179 0.1933950077256132 998 False missing_experiment idpSAM Relaxed 27 PRO CA 63.249795596441906 0.6994581590471478 998 63.668 0.25 -0.41820440355809296 True matched idpSAM Relaxed 27 PRO CB 32.181637278539625 0.5068037403428022 998 32.021 0.25 0.16063727853962462 True matched idpSAM Relaxed 27 PRO C 176.31783470505465 0.5346085010528494 998 177.487 0.02 -1.1691652949453442 True matched idpSAM Relaxed 28 GLU N 120.20682163276749 0.05703673020324461 998 119.825 0.11 0.38182163276748327 True matched idpSAM Relaxed 28 GLU HN 8.350192392039633 0.07078632540475838 998 8.727 0.02 -0.3768076079603677 True matched idpSAM Relaxed 28 GLU HA 4.359606214659008 0.05756098249712862 998 False missing_experiment idpSAM Relaxed 28 GLU CA 56.410307610918856 0.051258563328331556 998 57.189 0.25 -0.7786923890811437 True matched idpSAM Relaxed 28 GLU CB 29.7073987777343 0.0514578038758387 998 29.950 0.25 -0.2426012222656979 True matched idpSAM Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction IDPFold Original 1 MET N nan nan 0 False missing_experiment IDPFold Original 1 MET HN nan nan 0 False missing_experiment IDPFold Original 1 MET HA 4.479999999999702 2.984776994486982e-13 3000 False missing_experiment IDPFold Original 1 MET CA 55.29999999999917 8.243669794297379e-13 3000 55.706 0.25 -0.40600000000083014 True matched IDPFold Original 1 MET CB 32.60000000000123 1.229443857252971e-12 3000 32.671 0.25 -0.07099999999876871 True matched IDPFold Original 1 MET C 176.29999999999228 7.73199373809961e-12 3000 176.163 0.02 0.13699999999226975 True matched IDPFold Original 2 GLU N 120.59362599999989 0.6218001232350203 3000 121.536 0.11 -0.9423740000001146 True matched IDPFold Original 2 GLU HN 10.57530366666668 0.24389773024944053 3000 8.358 0.02 2.2173036666666803 True matched IDPFold Original 2 GLU HA 5.090807333333335 0.13725191282970864 3000 False missing_experiment IDPFold Original 2 GLU CA 56.9857313333333 0.6967399797279755 3000 56.478 0.25 0.5077313333332967 True matched IDPFold Original 2 GLU CB 29.968601999999983 0.6795861015003564 3000 30.498 0.25 -0.5293980000000182 True matched IDPFold Original 2 GLU C 176.7176539999999 0.45283827405761934 3000 176.171 0.02 0.5466539999999043 True matched IDPFold Original 3 GLU N 120.35837966666685 0.8235175156320239 3000 123.308 0.11 -2.949620333333158 True matched IDPFold Original 3 GLU HN 9.161554999999995 0.23711297411957855 3000 8.359 0.02 0.8025549999999946 True matched IDPFold Original 3 GLU HA 4.983957999999991 0.1358863027132916 3000 False missing_experiment IDPFold Original 3 GLU CA 55.628727333333224 0.4941529999726966 3000 54.304 0.25 1.3247273333332217 True matched IDPFold Original 3 GLU CB 29.870140333333296 0.6885346226700776 3000 29.868 0.25 0.0021403333332976615 True matched IDPFold Original 3 GLU C 175.42098966666677 0.5655955707715966 3000 174.464 0.02 0.9569896666667717 True matched IDPFold Original 4 PRO N nan nan 0 False missing_experiment IDPFold Original 4 PRO HN nan nan 0 False missing_experiment IDPFold Original 4 PRO HA 4.912468000000012 0.18753477919344935 3000 False missing_experiment IDPFold Original 4 PRO CA 64.53919866666662 0.6927051619161912 3000 63.282 0.25 1.2571986666666248 True matched IDPFold Original 4 PRO CB 31.80434566666666 0.5491773661040987 3000 32.204 0.25 -0.3996543333333413 True matched IDPFold Original 4 PRO C 177.80916433333346 0.4929820941064625 3000 176.995 0.02 0.8141643333334514 True matched IDPFold Original 5 GLN N 119.29611466666684 1.2808659115403143 3000 120.976 0.11 -1.6798853333331607 True matched IDPFold Original 5 GLN HN 9.198911333333337 0.34071032169962195 3000 8.575 0.02 0.6239113333333375 True matched IDPFold Original 5 GLN HA 4.896266666666669 0.1553753607337079 3000 False missing_experiment IDPFold Original 5 GLN CA 56.60647700000004 0.65677346317558 3000 55.686 0.25 0.9204770000000408 True matched IDPFold Original 5 GLN CB 28.47522166666671 0.9364661667626077 3000 29.746 0.25 -1.2707783333332898 True matched IDPFold Original 5 GLN C 176.9384243333336 0.6124769532648947 3000 176.034 0.02 0.9044243333335942 True matched IDPFold Original 6 SER N 115.63706499999998 0.6968262100629364 3000 117.753 0.11 -2.1159350000000217 True matched IDPFold Original 6 SER HN 9.480455333333339 0.37380420079465815 3000 8.400 0.02 1.0804553333333384 True matched IDPFold Original 6 SER HA 5.0209293333333305 0.15905508641052596 3000 False missing_experiment IDPFold Original 6 SER CA 58.67779433333329 0.526349170403339 3000 58.306 0.25 0.37179433333329115 True matched IDPFold Original 6 SER CB 63.01884933333328 0.7726336843785044 3000 64.034 0.25 -1.0151506666667274 True matched IDPFold Original 6 SER C 175.0267393333333 0.4587751049463434 3000 173.796 0.02 1.2307393333333039 True matched IDPFold Original 7 ASP N 121.47600700000014 0.9572681245982182 3000 123.666 0.11 -2.189992999999859 True matched IDPFold Original 7 ASP HN 8.927426666666673 0.2729496860826177 3000 8.456 0.02 0.4714266666666731 True matched IDPFold Original 7 ASP HA 5.317682333333336 0.1404008198621414 3000 False missing_experiment IDPFold Original 7 ASP CA 53.43754466666673 0.53081831420847 3000 52.368 0.25 1.0695446666667294 True matched IDPFold Original 7 ASP CB 40.85844299999985 0.782474931072503 3000 41.250 0.25 -0.39155700000014804 True matched IDPFold Original 7 ASP C 175.3350383333333 0.4902021857610014 3000 174.768 0.02 0.5670383333333007 True matched IDPFold Original 8 PRO N nan nan 0 False missing_experiment IDPFold Original 8 PRO HN nan nan 0 False missing_experiment IDPFold Original 8 PRO HA 4.807633333333328 0.19408223564669674 3000 False missing_experiment IDPFold Original 8 PRO CA 64.91490533333351 0.627105642509441 3000 63.486 0.25 1.4289053333335104 True matched IDPFold Original 8 PRO CB 31.409368000000025 0.5121885137335016 3000 32.204 0.25 -0.7946319999999751 True matched IDPFold Original 8 PRO C 178.44349999999991 0.4644218727536029 3000 177.153 0.02 1.2904999999999234 True matched IDPFold Original 9 SER N 114.61953433333318 1.293527269814522 3000 116.051 0.11 -1.4314656666668242 True matched IDPFold Original 9 SER HN 8.935597333333321 0.35602693847497213 3000 8.541 0.02 0.39459733333332103 True matched IDPFold Original 9 SER HA 4.953735999999993 0.1433629192394986 3000 False missing_experiment IDPFold Original 9 SER CA 59.01122066666671 0.48126860531624477 3000 58.996 0.25 0.015220666666706961 True matched IDPFold Original 9 SER CB 62.67245233333334 0.5964337745945043 3000 63.871 0.25 -1.1985476666666628 True matched IDPFold Original 9 SER C 175.6055149999997 0.5298854536340762 3000 174.587 0.02 1.0185149999997236 True matched IDPFold Original 10 VAL N 120.52022100000039 0.9099051265225887 3000 121.109 0.11 -0.5887789999996045 True matched IDPFold Original 10 VAL HN 8.872126666666698 0.36423514067351626 3000 7.890 0.02 0.9821266666666988 True matched IDPFold Original 10 VAL HA 4.854465333333335 0.1712894299750066 3000 False missing_experiment IDPFold Original 10 VAL CA 62.5013633333334 0.8270103760188877 3000 61.942 0.25 0.5593633333334012 True matched IDPFold Original 10 VAL CB 31.608540666666645 0.8494541512826129 3000 32.915 0.25 -1.306459333333354 True matched IDPFold Original 10 VAL C 176.45778466666653 0.4170837860587318 3000 175.852 0.02 0.6057846666665228 True matched IDPFold Original 11 GLU N 122.55096466666664 1.7240640302335069 3000 126.173 0.11 -3.6220353333333577 True matched IDPFold Original 11 GLU HN 9.786823666666677 0.3874312810969365 3000 8.357 0.02 1.4298236666666782 True matched IDPFold Original 11 GLU HA 4.995330666666675 0.1276595589078589 3000 False missing_experiment IDPFold Original 11 GLU CA 55.627990666666584 0.3249481522952787 3000 54.264 0.25 1.3639906666665809 True matched IDPFold Original 11 GLU CB 29.490315333333307 0.6812972659222073 3000 29.807 0.25 -0.31668466666669204 True matched IDPFold Original 11 GLU C 175.3896750000002 0.358566402027883 3000 173.930 0.02 1.4596750000002032 True matched IDPFold Original 12 PRO N nan nan 0 False missing_experiment IDPFold Original 12 PRO HN nan nan 0 False missing_experiment IDPFold Original 12 PRO HA 5.041650333333332 0.09413589426330331 3000 False missing_experiment IDPFold Original 12 PRO CA 63.350396333333514 0.19298131303906813 3000 False missing_experiment IDPFold Original 12 PRO CB 31.4810206666667 0.3635643499919703 3000 False missing_experiment IDPFold Original 12 PRO C 176.23298633333346 0.22943283393690247 3000 False missing_experiment IDPFold Original 13 PRO N nan nan 0 False missing_experiment IDPFold Original 13 PRO HN nan nan 0 False missing_experiment IDPFold Original 13 PRO HA 4.900201666666675 0.10593053426618237 3000 False missing_experiment IDPFold Original 13 PRO CA 64.01791033333329 0.4527756194265228 3000 62.775 0.25 1.2429103333332918 True matched IDPFold Original 13 PRO CB 31.551824333333247 0.5433351014662913 3000 32.103 0.25 -0.5511756666667544 True matched IDPFold Original 13 PRO C 177.9353860000001 0.5371230778300065 3000 176.989 0.02 0.9463860000001034 True matched IDPFold Original 14 LEU N 121.86762966666694 1.2621499654815238 3000 122.452 0.11 -0.5843703333330552 True matched IDPFold Original 14 LEU HN 9.092022666666667 0.2618747224844622 3000 8.363 0.02 0.7290226666666673 True matched IDPFold Original 14 LEU HA 4.883400333333325 0.21069550445707624 3000 False missing_experiment IDPFold Original 14 LEU CA 56.204070333333384 1.190128152648473 3000 55.381 0.25 0.8230703333333835 True matched IDPFold Original 14 LEU CB 40.87489033333329 0.7921802401079537 3000 42.503 0.25 -1.6281096666667096 True matched IDPFold Original 14 LEU C 178.73473633333347 0.7139481980436096 3000 177.622 0.02 1.1127363333334586 True matched IDPFold Original 15 SER N 115.4415246666664 1.1814628690294038 3000 116.709 0.11 -1.267475333333607 True matched IDPFold Original 15 SER HN 9.801611000000014 0.48001001331565357 3000 8.349 0.02 1.4526110000000134 True matched IDPFold Original 15 SER HA 4.8059233333333395 0.21809490881717725 3000 False missing_experiment IDPFold Original 15 SER CA 59.28242566666657 0.7002122736836986 3000 58.184 0.25 1.0984256666665715 True matched IDPFold Original 15 SER CB 62.91057933333336 0.6801759596983749 3000 63.871 0.25 -0.9604206666666428 True matched IDPFold Original 15 SER C 176.14066033333327 0.5449401008652843 3000 174.657 0.02 1.4836603333332619 True matched IDPFold Original 16 GLN N 119.73946266666657 0.7945819169520154 3000 122.501 0.11 -2.761537333333436 True matched IDPFold Original 16 GLN HN 9.425195000000004 0.3720577983460408 3000 8.513 0.02 0.9121950000000041 True matched IDPFold Original 16 GLN HA 4.546987666666656 0.21497614230841872 3000 False missing_experiment IDPFold Original 16 GLN CA 57.54648633333333 0.662735681858079 3000 56.051 0.25 1.495486333333325 True matched IDPFold Original 16 GLN CB 27.13310233333329 0.42450255594191977 3000 29.604 0.25 -2.4708976666667084 True matched IDPFold Original 16 GLN C 177.80348766666663 0.5040760313646697 3000 176.063 0.02 1.7404876666666382 True matched IDPFold Original 17 GLU N 120.34629799999966 0.4131531714070229 3000 121.933 0.11 -1.5867020000003436 True matched IDPFold Original 17 GLU HN 9.312476333333322 0.22498989812428138 3000 8.546 0.02 0.7664763333333227 True matched IDPFold Original 17 GLU HA 4.298637333333335 0.11093685051035074 3000 False missing_experiment IDPFold Original 17 GLU CA 58.66362066666651 0.3925421699953144 3000 57.067 0.25 1.5966206666665101 True matched IDPFold Original 17 GLU CB 28.21302066666667 0.3215237794520648 3000 30.255 0.25 -2.0419793333333303 True matched IDPFold Original 17 GLU C 178.9002816666671 0.2338734585099825 3000 176.626 0.02 2.2742816666670933 True matched IDPFold Original 18 THR N 113.34714666666648 0.3169873701266799 3000 114.933 0.11 -1.5858533333335316 True matched IDPFold Original 18 THR HN 9.01729999999999 0.11426110390952036 3000 8.127 0.02 0.8902999999999892 True matched IDPFold Original 18 THR HA 4.5598090000000004 0.07421397728061695 3000 False missing_experiment IDPFold Original 18 THR CA 65.02010566666672 0.5014530435506237 3000 62.023 0.25 2.9971056666667195 True matched IDPFold Original 18 THR CB 68.11218033333337 0.16369521634582715 3000 69.986 0.25 -1.873819666666634 True matched IDPFold Original 18 THR C 176.80718000000022 0.19785763269146697 3000 174.411 0.02 2.3961800000002142 True matched IDPFold Original 19 PHE N 121.55184800000005 0.23449669890341443 3000 122.317 0.11 -0.7651519999999437 True matched IDPFold Original 19 PHE HN 8.898738666666668 0.06217264820066483 3000 8.261 0.02 0.6377386666666691 True matched IDPFold Original 19 PHE HA 4.893234333333328 0.06670835596940562 3000 False missing_experiment IDPFold Original 19 PHE CA 59.73296300000002 0.31117902204184567 3000 58.082 0.25 1.6509630000000186 True matched IDPFold Original 19 PHE CB 37.65327633333329 0.12466426526033755 3000 39.456 0.25 -1.802723666666715 True matched IDPFold Original 19 PHE C 178.93771433333347 0.24271104962985582 3000 175.917 0.02 3.0207143333334727 True matched IDPFold Original 20 SER N 116.16769366666693 0.13411469746917332 3000 116.753 0.11 -0.5853063333330653 True matched IDPFold Original 20 SER HN 9.112632000000021 0.090856154751813 3000 8.119 0.02 0.9936320000000212 True matched IDPFold Original 20 SER HA 4.468558000000004 0.06694238615173412 3000 False missing_experiment IDPFold Original 20 SER CA 60.112597000000015 0.22203655855611967 3000 58.753 0.25 1.359597000000015 True matched IDPFold Original 20 SER CB 61.493672333333244 0.1497008363860861 3000 63.912 0.25 -2.4183276666667552 True matched IDPFold Original 20 SER C 176.37875133333375 0.10836719667251897 3000 174.511 0.02 1.8677513333337572 True matched IDPFold Original 21 ASP N 120.9261466666666 0.15692753924369002 3000 122.139 0.11 -1.212853333333399 True matched IDPFold Original 21 ASP HN 9.102988333333313 0.06352314481508255 3000 8.295 0.02 0.8079883333333129 True matched IDPFold Original 21 ASP HA 4.9196930000000085 0.04987659413540088 3000 False missing_experiment IDPFold Original 21 ASP CA 56.18096766666671 0.28529234104892437 3000 54.954 0.25 1.2269676666667095 True matched IDPFold Original 21 ASP CB 39.59244100000001 0.08997192247924626 3000 40.837 0.25 -1.2445589999999953 True matched IDPFold Original 21 ASP C 178.55925433333357 0.082006377779746 3000 176.884 0.02 1.6752543333335836 True matched IDPFold Original 22 LEU N 119.88348066666677 0.14996589462076157 3000 121.145 0.11 -1.2615193333332257 True matched IDPFold Original 22 LEU HN 9.116356999999988 0.02117039472638509 3000 7.959 0.02 1.1573569999999886 True matched IDPFold Original 22 LEU HA 4.612904999999997 0.03310892188775585 3000 False missing_experiment IDPFold Original 22 LEU CA 57.47767833333324 0.21950803202296798 3000 56.579 0.25 0.8986783333332369 True matched IDPFold Original 22 LEU CB 39.65560766666672 0.06074862308144115 3000 41.832 0.25 -2.1763923333332826 True matched IDPFold Original 22 LEU C 179.87167099999965 0.047168135819415764 3000 178.050 0.02 1.8216709999996397 True matched IDPFold Original 23 TRP N 121.08045499999992 0.07508341460035863 3000 119.387 0.11 1.693454999999915 True matched IDPFold Original 23 TRP HN 8.85503133333333 0.021477292883230994 3000 7.869 0.02 0.9860313333333295 True matched IDPFold Original 23 TRP HA 4.691843666666664 0.06331873061823497 3000 False missing_experiment IDPFold Original 23 TRP CA 60.329042000000044 0.22928628604793713 3000 57.757 0.25 2.572042000000046 True matched IDPFold Original 23 TRP CB 28.429025333333218 0.09468720036798399 3000 28.934 0.25 -0.5049746666667829 True matched IDPFold Original 23 TRP C 179.40541700000014 0.06494466655729371 3000 176.743 0.02 2.662417000000147 True matched IDPFold Original 24 LYS N 120.8087456666667 0.1124712210882406 3000 120.522 0.11 0.28674566666668966 True matched IDPFold Original 24 LYS HN 9.564226333333325 0.05835573868353754 3000 7.595 0.02 1.9692263333333253 True matched IDPFold Original 24 LYS HA 4.5437730000000105 0.06140751120026454 3000 False missing_experiment IDPFold Original 24 LYS CA 59.177085666666635 0.3667077244613423 3000 56.945 0.25 2.2320856666666344 True matched IDPFold Original 24 LYS CB 30.994345666666657 0.0883260551133859 3000 32.895 0.25 -1.900654333333346 True matched IDPFold Original 24 LYS C 178.92969266666628 0.14517173906846909 3000 176.198 0.02 2.7316926666662766 True matched IDPFold Original 25 LEU N 121.07314366666678 0.3926131192157854 3000 120.787 0.11 0.28614366666677427 True matched IDPFold Original 25 LEU HN 8.993205000000005 0.12277111450657187 3000 7.842 0.02 1.1512050000000054 True matched IDPFold Original 25 LEU HA 4.932248999999998 0.08927480978914276 3000 False missing_experiment IDPFold Original 25 LEU CA 56.352123 0.49404521530178624 3000 54.975 0.25 1.3771229999999974 True matched IDPFold Original 25 LEU CB 40.51387966666664 0.2745559387587977 3000 42.320 0.25 -1.8061203333333609 True matched IDPFold Original 25 LEU C 179.222478 0.461381400197439 3000 177.095 0.02 2.1274779999999964 True matched IDPFold Original 26 LEU N 120.03181833333349 0.8818489193182236 3000 123.711 0.11 -3.6791816666665085 True matched IDPFold Original 26 LEU HN 8.627444333333322 0.16226185792745065 3000 7.934 0.02 0.6934443333333222 True matched IDPFold Original 26 LEU HA 5.014209333333338 0.1745949368592378 3000 False missing_experiment IDPFold Original 26 LEU CA 54.49195066666682 0.9518215450654469 3000 53.025 0.25 1.4669506666668184 True matched IDPFold Original 26 LEU CB 40.76041900000004 0.6928446396347135 3000 41.548 0.25 -0.7875809999999603 True matched IDPFold Original 26 LEU C 176.6089883333337 0.7348610747143062 3000 175.530 0.02 1.0789883333337116 True matched IDPFold Original 27 PRO N nan nan 0 False missing_experiment IDPFold Original 27 PRO HN nan nan 0 False missing_experiment IDPFold Original 27 PRO HA 4.885697666666665 0.1425847364326798 3000 False missing_experiment IDPFold Original 27 PRO CA 64.4154170000001 0.5948889443106348 3000 63.668 0.25 0.7474170000001052 True matched IDPFold Original 27 PRO CB 31.506591000000018 0.6217687773788376 3000 32.021 0.25 -0.5144089999999828 True matched IDPFold Original 27 PRO C 177.53805899999992 0.3264844287451867 3000 177.487 0.02 0.051058999999924026 True matched IDPFold Original 28 GLU N 120.20000000000665 6.651788730570988e-12 3000 119.825 0.11 0.3750000000066507 True matched IDPFold Original 28 GLU HN 8.360000000000346 3.4644732971723895e-13 3000 8.727 0.02 -0.3669999999996545 True matched IDPFold Original 28 GLU HA 4.350000000000229 2.291882335052504e-13 3000 False missing_experiment IDPFold Original 28 GLU CA 56.39999999999683 3.1695489036695094e-12 3000 57.189 0.25 -0.7890000000031705 True matched IDPFold Original 28 GLU CB 29.69999999999835 1.6487339588594758e-12 3000 29.950 0.25 -0.25000000000164846 True matched IDPFold Original 28 GLU C nan nan 0 176.397 0.02 False missing_prediction IDPFold Relaxed 1 MET N nan nan 0 False missing_experiment IDPFold Relaxed 1 MET HN nan nan 0 False missing_experiment IDPFold Relaxed 1 MET HA 4.479866253367418 0.0080739592642314 2998 False missing_experiment IDPFold Relaxed 1 MET CA 55.29981154581163 0.010290605330483177 2998 55.706 0.25 -0.40618845418837424 True matched IDPFold Relaxed 1 MET CB 32.59950640107728 0.019795855199589058 2998 32.671 0.25 -0.07149359892272145 True matched IDPFold Relaxed 1 MET C 176.29994258664306 0.006732278707544843 2998 176.163 0.02 0.1369425866430447 True matched IDPFold Relaxed 2 GLU N 119.7747671243109 1.8856162426252234 2998 121.536 0.11 -1.7612328756891031 True matched IDPFold Relaxed 2 GLU HN 8.278972639569924 0.21260356423570373 2998 8.358 0.02 -0.07902736043007685 True matched IDPFold Relaxed 2 GLU HA 4.452652101758482 0.14571577612777234 2998 False missing_experiment IDPFold Relaxed 2 GLU CA 56.383870584794565 0.5336499639816253 2998 56.478 0.25 -0.09412941520543683 True matched IDPFold Relaxed 2 GLU CB 29.970041689831387 0.7229214063841186 2998 30.498 0.25 -0.5279583101686143 True matched IDPFold Relaxed 2 GLU C 175.71420990458483 0.5014604170192762 2998 176.171 0.02 -0.45679009541515825 True matched IDPFold Relaxed 3 GLU N 121.54274758662757 1.6286764013601849 2998 123.308 0.11 -1.765252413372437 True matched IDPFold Relaxed 3 GLU HN 8.200252167299002 0.2594792075848571 2998 8.359 0.02 -0.1587478327009979 True matched IDPFold Relaxed 3 GLU HA 4.428204137933819 0.16118410339896455 2998 False missing_experiment IDPFold Relaxed 3 GLU CA 55.009378582099984 1.1080273236720661 2998 54.304 0.25 0.705378582099982 True matched IDPFold Relaxed 3 GLU CB 29.374526685520042 0.7950919615904278 2998 29.868 0.25 -0.49347331447995657 True matched IDPFold Relaxed 3 GLU C 175.1458982705593 0.5788076963348262 2998 174.464 0.02 0.6818982705592873 True matched IDPFold Relaxed 4 PRO N nan nan 0 False missing_experiment IDPFold Relaxed 4 PRO HN nan nan 0 False missing_experiment IDPFold Relaxed 4 PRO HA 4.441621081124472 0.11725650494993682 2998 False missing_experiment IDPFold Relaxed 4 PRO CA 63.194854871204015 0.561251170952055 2998 63.282 0.25 -0.08714512879598146 True matched IDPFold Relaxed 4 PRO CB 32.0021207280124 0.6951831965798295 2998 32.204 0.25 -0.20187927198760036 True matched IDPFold Relaxed 4 PRO C 176.50824989486807 0.5112555430464054 2998 176.995 0.02 -0.4867501051319323 True matched IDPFold Relaxed 5 GLN N 120.86342725951009 2.68035495093808 2998 120.976 0.11 -0.1125727404899095 True matched IDPFold Relaxed 5 GLN HN 8.390477319015035 0.3577657430294 2998 8.575 0.02 -0.18452268098496383 True matched IDPFold Relaxed 5 GLN HA 4.331356906429619 0.18344966257463624 2998 False missing_experiment IDPFold Relaxed 5 GLN CA 56.11497463585139 0.7860923714580333 2998 55.686 0.25 0.4289746358513895 True matched IDPFold Relaxed 5 GLN CB 28.94309437632799 1.2625429997500022 2998 29.746 0.25 -0.8029056236720074 True matched IDPFold Relaxed 5 GLN C 175.567499014439 0.6582992684355757 2998 176.034 0.02 -0.46650098556099806 True matched IDPFold Relaxed 6 SER N 116.65876121342858 2.518393937061492 2998 117.753 0.11 -1.0942387865714238 True matched IDPFold Relaxed 6 SER HN 8.235071049283711 0.35144175284254536 2998 8.400 0.02 -0.16492895071628944 True matched IDPFold Relaxed 6 SER HA 4.5033348882254005 0.1576164834535028 2998 False missing_experiment IDPFold Relaxed 6 SER CA 58.38129654083354 0.7538989966511314 2998 58.306 0.25 0.07529654083354131 True matched IDPFold Relaxed 6 SER CB 63.88918279758527 0.8282199997037456 2998 64.034 0.25 -0.1448172024147354 True matched IDPFold Relaxed 6 SER C 173.7367982056397 0.6794896828588541 2998 173.796 0.02 -0.05920179436029116 True matched IDPFold Relaxed 7 ASP N 123.17833522162968 2.2954635473128637 2998 123.666 0.11 -0.4876647783703163 True matched IDPFold Relaxed 7 ASP HN 8.216964644221484 0.3348053567501515 2998 8.456 0.02 -0.23903535577851542 True matched IDPFold Relaxed 7 ASP HA 4.817795862747559 0.1599293678133365 2998 False missing_experiment IDPFold Relaxed 7 ASP CA 52.75504134383657 1.1786856596535522 2998 52.368 0.25 0.3870413438365645 True matched IDPFold Relaxed 7 ASP CB 41.39476121847752 1.0733677308045084 2998 41.250 0.25 0.14476121847751955 True matched IDPFold Relaxed 7 ASP C 175.29191389331984 0.7380474286243632 2998 174.768 0.02 0.5239138933198433 True matched IDPFold Relaxed 8 PRO N nan nan 0 False missing_experiment IDPFold Relaxed 8 PRO HN nan nan 0 False missing_experiment IDPFold Relaxed 8 PRO HA 4.496862239961707 0.12981835797864305 2998 False missing_experiment IDPFold Relaxed 8 PRO CA 63.50811442349099 0.6122155474807728 2998 63.486 0.25 0.02211442349099002 True matched IDPFold Relaxed 8 PRO CB 31.694344889568917 0.6605704092748758 2998 32.204 0.25 -0.5096551104310834 True matched IDPFold Relaxed 8 PRO C 176.64281448863045 0.5740812647781788 2998 177.153 0.02 -0.5101855113695422 True matched IDPFold Relaxed 9 SER N 115.27125918570958 2.478025943729144 2998 116.051 0.11 -0.7797408142904203 True matched IDPFold Relaxed 9 SER HN 8.382872247950406 0.36308356686524235 2998 8.541 0.02 -0.1581277520495945 True matched IDPFold Relaxed 9 SER HA 4.419945300062789 0.13381479853170714 2998 False missing_experiment IDPFold Relaxed 9 SER CA 59.07898530075755 0.8558950755396766 2998 58.996 0.25 0.0829853007575494 True matched IDPFold Relaxed 9 SER CB 63.502947930099964 0.9913196045574314 2998 63.871 0.25 -0.36805206990003825 True matched IDPFold Relaxed 9 SER C 174.51033859812793 0.6798223730851018 2998 174.587 0.02 -0.07666140187205883 True matched IDPFold Relaxed 10 VAL N 121.21842595177384 2.8508806632976222 2998 121.109 0.11 0.10942595177384362 True matched IDPFold Relaxed 10 VAL HN 7.7031340896486835 0.3545719922036853 2998 7.890 0.02 -0.18686591035131617 True matched IDPFold Relaxed 10 VAL HA 4.171421276958407 0.19247413709298203 2998 False missing_experiment IDPFold Relaxed 10 VAL CA 62.16477915030308 1.0520515364889753 2998 61.942 0.25 0.22277915030308293 True matched IDPFold Relaxed 10 VAL CB 32.678708482377125 1.1882487418747314 2998 32.915 0.25 -0.23629151762287393 True matched IDPFold Relaxed 10 VAL C 175.42680801177835 0.6495065348324325 2998 175.852 0.02 -0.4251919882216555 True matched IDPFold Relaxed 11 GLU N 124.67160744695683 3.1521174174056004 2998 126.173 0.11 -1.5013925530431749 True matched IDPFold Relaxed 11 GLU HN 8.277493005438277 0.2840059303374656 2998 8.357 0.02 -0.07950699456172217 True matched IDPFold Relaxed 11 GLU HA 4.458947297173234 0.16603800655195688 2998 False missing_experiment IDPFold Relaxed 11 GLU CA 54.7725627128087 0.9231351317368278 2998 54.264 0.25 0.5085627128086969 True matched IDPFold Relaxed 11 GLU CB 29.669262830061147 0.8064557378974602 2998 29.807 0.25 -0.13773716993885188 True matched IDPFold Relaxed 11 GLU C 175.00787721497764 0.3840110142933042 2998 173.930 0.02 1.077877214977633 True matched IDPFold Relaxed 12 PRO N nan nan 0 False missing_experiment IDPFold Relaxed 12 PRO HN nan nan 0 False missing_experiment IDPFold Relaxed 12 PRO HA 4.600344229730628 0.12231740135012176 2998 False missing_experiment IDPFold Relaxed 12 PRO CA 61.8170576814495 0.512193977177467 2998 False missing_experiment IDPFold Relaxed 12 PRO CB 31.388382251935454 0.2858143782548621 2998 False missing_experiment IDPFold Relaxed 12 PRO C 175.16215201104936 0.3451224504150683 2998 False missing_experiment IDPFold Relaxed 13 PRO N nan nan 0 False missing_experiment IDPFold Relaxed 13 PRO HN nan nan 0 False missing_experiment IDPFold Relaxed 13 PRO HA 4.445358235331835 0.13264780081911304 2998 False missing_experiment IDPFold Relaxed 13 PRO CA 62.99205769722743 0.5619558379999868 2998 62.775 0.25 0.21705769722743185 True matched IDPFold Relaxed 13 PRO CB 31.785146400242983 0.800137508312144 2998 32.103 0.25 -0.31785359975701866 True matched IDPFold Relaxed 13 PRO C 176.94218094655878 0.7534807005493187 2998 176.989 0.02 -0.04681905344122583 True matched IDPFold Relaxed 14 LEU N 123.52624250364909 3.4478257224812108 2998 122.452 0.11 1.0742425036490886 True matched IDPFold Relaxed 14 LEU HN 8.378476645963998 0.4024866365894568 2998 8.363 0.02 0.015476645963998337 True matched IDPFold Relaxed 14 LEU HA 4.22566644170429 0.2358707268066 2998 False missing_experiment IDPFold Relaxed 14 LEU CA 55.56845297632096 1.1174083805393513 2998 55.381 0.25 0.18745297632096225 True matched IDPFold Relaxed 14 LEU CB 41.39787293880124 1.1565718879759028 2998 42.503 0.25 -1.1051270611987576 True matched IDPFold Relaxed 14 LEU C 177.3082864569218 0.8343961673823765 2998 177.622 0.02 -0.3137135430782223 True matched IDPFold Relaxed 15 SER N 115.6739412807798 3.0715676799750824 2998 116.709 0.11 -1.0350587192202028 True matched IDPFold Relaxed 15 SER HN 8.328029687759319 0.44586100436432496 2998 8.349 0.02 -0.020970312240681466 True matched IDPFold Relaxed 15 SER HA 4.375434953662218 0.2597626081429743 2998 False missing_experiment IDPFold Relaxed 15 SER CA 59.1185934169838 1.3134288851436053 2998 58.184 0.25 0.9345934169838017 True matched IDPFold Relaxed 15 SER CB 63.365078038577636 1.1338479331684685 2998 63.871 0.25 -0.5059219614223665 True matched IDPFold Relaxed 15 SER C 175.21960613105676 0.8352767929056899 2998 174.657 0.02 0.5626061310567536 True matched IDPFold Relaxed 16 GLN N 121.87653931050876 2.6805616343226433 2998 122.501 0.11 -0.6244606894912437 True matched IDPFold Relaxed 16 GLN HN 8.408091058406614 0.46933271860491904 2998 8.513 0.02 -0.10490894159338637 True matched IDPFold Relaxed 16 GLN HA 4.229365573953675 0.2640900721123767 2998 False missing_experiment IDPFold Relaxed 16 GLN CA 58.09366109897647 1.3173660907422446 2998 56.051 0.25 2.042661098976467 True matched IDPFold Relaxed 16 GLN CB 28.606695144632962 0.8281227078358891 2998 29.604 0.25 -0.9973048553670374 True matched IDPFold Relaxed 16 GLN C 177.24657870770454 0.8059741411678621 2998 176.063 0.02 1.1835787077045552 True matched IDPFold Relaxed 17 GLU N 119.97912979889425 2.0525975785781987 2998 121.933 0.11 -1.953870201105758 True matched IDPFold Relaxed 17 GLU HN 8.559558709515501 0.3625708057629811 2998 8.546 0.02 0.013558709515502088 True matched IDPFold Relaxed 17 GLU HA 4.160660438811167 0.13499651827619813 2998 False missing_experiment IDPFold Relaxed 17 GLU CA 59.03658971601999 0.9538561015062426 2998 57.067 0.25 1.9695897160199891 True matched IDPFold Relaxed 17 GLU CB 28.676920946794322 0.6738147404930577 2998 30.255 0.25 -1.578079053205677 True matched IDPFold Relaxed 17 GLU C 178.30429728115456 0.7410296239428802 2998 176.626 0.02 1.6782972811545562 True matched IDPFold Relaxed 18 THR N 114.81762649251112 2.510083189198251 2998 114.933 0.11 -0.11537350748888286 True matched IDPFold Relaxed 18 THR HN 7.996299198422931 0.36083316224305445 2998 8.127 0.02 -0.13070080157706965 True matched IDPFold Relaxed 18 THR HA 4.139530352547298 0.17363602905302009 2998 False missing_experiment IDPFold Relaxed 18 THR CA 65.3088866520755 1.1634758150444517 2998 62.023 0.25 3.2858866520754972 True matched IDPFold Relaxed 18 THR CB 68.57498768761288 0.5137615279453167 2998 69.986 0.25 -1.411012312387129 True matched IDPFold Relaxed 18 THR C 175.91767810518698 0.7299147341921293 2998 174.411 0.02 1.5066781051869782 True matched IDPFold Relaxed 19 PHE N 121.27116910388582 1.6118662846626972 2998 122.317 0.11 -1.0458308961141682 True matched IDPFold Relaxed 19 PHE HN 7.9724379608518205 0.40890206594339495 2998 8.261 0.02 -0.2885620391481787 True matched IDPFold Relaxed 19 PHE HA 4.415070378836033 0.2598259211559828 2998 False missing_experiment IDPFold Relaxed 19 PHE CA 60.15625083852085 1.2886090311095824 2998 58.082 0.25 2.0742508385208467 True matched IDPFold Relaxed 19 PHE CB 39.216108432843576 0.7878361234987474 2998 39.456 0.25 -0.2398915671564268 True matched IDPFold Relaxed 19 PHE C 176.8323876684391 0.6654929932087683 2998 175.917 0.02 0.9153876684391093 True matched IDPFold Relaxed 20 SER N 115.6559135966336 1.2158501867249838 2998 116.753 0.11 -1.0970864033664043 True matched IDPFold Relaxed 20 SER HN 8.263922606411578 0.3590196008087474 2998 8.119 0.02 0.14492260641157806 True matched IDPFold Relaxed 20 SER HA 4.235938620734326 0.27598033142695744 2998 False missing_experiment IDPFold Relaxed 20 SER CA 61.83135890388107 0.8208170796680025 2998 58.753 0.25 3.0783589038810675 True matched IDPFold Relaxed 20 SER CB 63.106603387039925 0.4516623475822166 2998 63.912 0.25 -0.8053966129600738 True matched IDPFold Relaxed 20 SER C 176.30886325747113 0.6530459645450306 2998 174.511 0.02 1.7978632574711355 True matched IDPFold Relaxed 21 ASP N 121.69398130298535 1.4031488123852596 2998 122.139 0.11 -0.44501869701464614 True matched IDPFold Relaxed 21 ASP HN 8.132981645814413 0.3281220873692987 2998 8.295 0.02 -0.1620183541855873 True matched IDPFold Relaxed 21 ASP HA 4.602390262585946 0.16738803137415198 2998 False missing_experiment IDPFold Relaxed 21 ASP CA 56.18870181159388 0.8839851354581337 2998 54.954 0.25 1.2347018115938795 True matched IDPFold Relaxed 21 ASP CB 40.93103465944866 0.6438099189006513 2998 40.837 0.25 0.09403465944865985 True matched IDPFold Relaxed 21 ASP C 177.62769672884951 0.7799374934743543 2998 176.884 0.02 0.7436967288495282 True matched IDPFold Relaxed 22 LEU N 120.12458173205965 1.4114621776647398 2998 121.145 0.11 -1.020418267940343 True matched IDPFold Relaxed 22 LEU HN 7.625197795647792 0.34491809148724856 2998 7.959 0.02 -0.33380220435220753 True matched IDPFold Relaxed 22 LEU HA 4.10142861937904 0.19088986177366316 2998 False missing_experiment IDPFold Relaxed 22 LEU CA 57.23595661318564 0.7088107405741468 2998 56.579 0.25 0.6569566131856419 True matched IDPFold Relaxed 22 LEU CB 41.908686114280044 0.5030208289278948 2998 41.832 0.25 0.07668611428004368 True matched IDPFold Relaxed 22 LEU C 178.1861960402801 0.780179940990142 2998 178.050 0.02 0.13619604028008325 True matched IDPFold Relaxed 23 TRP N 119.15134519509589 2.6170627252097756 2998 119.387 0.11 -0.23565480490411517 True matched IDPFold Relaxed 23 TRP HN 7.83887291240883 0.419864602304625 2998 7.869 0.02 -0.03012708759117011 True matched IDPFold Relaxed 23 TRP HA 4.475519684173808 0.21930314626777986 2998 False missing_experiment IDPFold Relaxed 23 TRP CA 58.71693496246033 1.3206737713645171 2998 57.757 0.25 0.9599349624603306 True matched IDPFold Relaxed 23 TRP CB 29.002568043892666 0.8186337929914589 2998 28.934 0.25 0.06856804389266458 True matched IDPFold Relaxed 23 TRP C 177.3217755114738 0.8940325882823709 2998 176.743 0.02 0.5787755114737934 True matched IDPFold Relaxed 24 LYS N 118.27372090986684 1.310566222702473 2998 120.522 0.11 -2.248279090133167 True matched IDPFold Relaxed 24 LYS HN 7.8331441015621435 0.3520905540986399 2998 7.595 0.02 0.23814410156214372 True matched IDPFold Relaxed 24 LYS HA 4.068157433111561 0.318054599078316 2998 False missing_experiment IDPFold Relaxed 24 LYS CA 57.748462682091606 1.0067360024962317 2998 56.945 0.25 0.803462682091606 True matched IDPFold Relaxed 24 LYS CB 32.54708205866289 1.0119757520187385 2998 32.895 0.25 -0.3479179413371156 True matched IDPFold Relaxed 24 LYS C 177.03019782047895 0.7328810814320791 2998 176.198 0.02 0.8321978204789389 True matched IDPFold Relaxed 25 LEU N 118.68359104484777 1.4046320778481087 2998 120.787 0.11 -2.103408955152233 True matched IDPFold Relaxed 25 LEU HN 7.6540870550396125 0.31115905438555136 2998 7.842 0.02 -0.18791294496038713 True matched IDPFold Relaxed 25 LEU HA 4.306797527964709 0.12719410867531328 2998 False missing_experiment IDPFold Relaxed 25 LEU CA 55.4230496989957 0.8573826295248008 2998 54.975 0.25 0.44804969899569613 True matched IDPFold Relaxed 25 LEU CB 43.04656939159798 0.9807876577098706 2998 42.320 0.25 0.7265693915979767 True matched IDPFold Relaxed 25 LEU C 176.7969765844466 0.58019243208483 2998 177.095 0.02 -0.29802341555338785 True matched IDPFold Relaxed 26 LEU N 120.50794963060497 1.5627109518000513 2998 123.711 0.11 -3.2030503693950294 True matched IDPFold Relaxed 26 LEU HN 7.710650767064874 0.28289300249946103 2998 7.934 0.02 -0.2233492329351261 True matched IDPFold Relaxed 26 LEU HA 4.6405363534592725 0.1952229639565654 2998 False missing_experiment IDPFold Relaxed 26 LEU CA 53.24411872802693 1.344051917824613 2998 53.025 0.25 0.21911872802693466 True matched IDPFold Relaxed 26 LEU CB 42.351677779438816 1.1663015168137238 2998 41.548 0.25 0.8036777794388144 True matched IDPFold Relaxed 26 LEU C 175.34223588837872 0.643673447864534 2998 175.530 0.02 -0.18776411162127715 True matched IDPFold Relaxed 27 PRO N nan nan 0 False missing_experiment IDPFold Relaxed 27 PRO HN nan nan 0 False missing_experiment IDPFold Relaxed 27 PRO HA 4.514990998316479 0.2899873348203926 2998 False missing_experiment IDPFold Relaxed 27 PRO CA 62.99414675294597 0.6337731334763591 2998 63.668 0.25 -0.6738532470540264 True matched IDPFold Relaxed 27 PRO CB 32.11504233782096 0.4819419819386998 2998 32.021 0.25 0.09404233782095872 True matched IDPFold Relaxed 27 PRO C 176.5297895638922 0.5206910056194317 2998 177.487 0.02 -0.9572104361078004 True matched IDPFold Relaxed 28 GLU N 120.23555830687663 0.0781036078516969 2998 119.825 0.11 0.41055830687662365 True matched IDPFold Relaxed 28 GLU HN 8.376699138912382 0.11422834600957447 2998 8.727 0.02 -0.35030086108761793 True matched IDPFold Relaxed 28 GLU HA 4.398699800915683 0.07128880492051667 2998 False missing_experiment IDPFold Relaxed 28 GLU CA 56.44922442751141 0.06100682475579779 2998 57.189 0.25 -0.7397755724885897 True matched IDPFold Relaxed 28 GLU CB 29.73737590833057 0.05719882960705498 2998 29.950 0.25 -0.2126240916694293 True matched IDPFold Relaxed 28 GLU C nan nan 0 176.397 0.02 False missing_prediction