From: Adam Kazimierz Sieradzan Date: Tue, 4 Dec 2012 07:36:39 +0000 (-0500) Subject: dodanie nowych contact do wham -m X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=44044fde4e0a24ba97cd2baf94a54e7cbd062541;p=unres.git dodanie nowych contact do wham -m --- diff --git a/PARAM/contact_ext.3.parm b/PARAM/contact_ext.3.parm new file mode 100644 index 0000000..00b8659 --- /dev/null +++ b/PARAM/contact_ext.3.parm @@ -0,0 +1,576 @@ + 0.35860954 0.16982996 3.29863666 3.2 cys cys + 0.56282835 -0.05299321 3.60729199 2.1 cys met + 0.33964241 0.05207525 4.17039421 2.4 cys phe + 0.37589252 -0.13754074 3.40782436 3.2 cys ile + 0.19324876 -0.12584486 3.97277369 2.4 cys leu + 0.40072817 0.10036272 4.49587991 1.6 cys val + 0.42263839 0.06477987 3.63916207 3.6 cys trp + 0.54237237 0.04744217 3.48308370 3.1 cys tyr + 0.51547365 -0.00799778 3.40011763 2.2 cys ala + 0.51607945 -0.12446741 3.70421858 1.6 cys gly + 0.43412348 0.15581630 4.56079263 1.3 cys thr + 0.38622584 -0.07788669 3.77359853 2.0 cys ser + 0.50860385 -0.01971684 3.49518888 3.0 cys gln + 0.39057873 -0.13582425 3.09416287 3.6 cys asn + 0.42554013 -0.10224673 3.99873956 2.0 cys glu + 0.51197275 -0.00799778 3.42940555 3.0 cys asp + 0.51368036 -0.01971684 3.45279388 2.8 cys his + 0.53687925 -0.05416896 3.53908504 2.8 cys arg + 0.52071055 -0.00432467 3.85035238 2.3 cys lys + 0.56790413 -0.10114534 3.62096650 1.9 cys pro + 0.56282835 -0.05299321 3.60729199 2.1 cys sem + 0.33964241 0.05207525 4.17039421 2.4 cys phe + 0.51547365 -0.00799778 3.40011763 2.2 cys aib + 0.51547365 -0.00799778 3.40011763 2.2 cys abu + 0.68048894 -0.06899195 3.60729199 2.1 met cys + 0.47168906 -0.01389221 3.62448254 3.4 met met + 0.38809483 0.05839704 3.69650927 3.8 met phe + 0.30403358 -0.17995008 4.29852296 2.5 met ile + 0.33973020 -0.34834021 4.94950826 1.2 met leu + 0.30071237 0.01285368 4.18347745 2.6 met val + 0.52333332 0.17569346 3.51061576 4.2 met trp + 0.61170525 0.20950877 4.06080648 3.0 met tyr + 0.41902197 -0.08043824 3.17380260 3.3 met ala + 0.52139540 0.00438353 3.43153041 2.6 met gly + 0.49784550 0.12355497 4.19683352 2.2 met thr + 0.63180941 -0.16149377 4.09465313 1.6 met ser + 0.44886809 -0.15991724 3.53814108 3.3 met gln + 0.41073744 0.00740397 4.06717512 2.5 met asn + 0.54442625 -0.07267571 3.41282057 3.5 met glu + 0.63996137 -0.06915184 3.94820588 2.2 met asp + 0.62501187 0.11051556 3.67829283 2.8 met his + 0.53066821 0.05034669 3.92004157 3.0 met arg + 0.33560623 -0.08136851 4.49980555 2.0 met lys + 0.49366704 -0.10767906 3.76955189 2.7 met pro + 0.47168906 -0.01389221 3.62448254 3.4 met sem + 0.38809483 0.05839704 3.69650927 3.8 met dbz + 0.41902197 -0.08043824 3.17380260 3.3 met aib + 0.41902197 -0.08043824 3.17380260 3.3 met abu + 0.36262117 -0.19622749 4.17039421 2.4 phe cys + 0.26128467 0.01513555 3.69650927 3.8 phe met + 0.20490480 -0.09214195 4.22979013 3.0 phe phe + 0.28320764 -0.11272094 4.28523432 2.8 phe ile + 0.49776022 0.15233796 3.52640364 3.7 phe leu + 0.38397299 0.13538890 4.83243966 2.0 phe val + 0.37298546 -0.07130682 3.38863637 4.4 phe trp + 0.50532840 -0.04912285 3.56784740 3.7 phe tyr + 0.47086276 -0.20131132 3.61044593 2.4 phe ala + 0.47136787 -0.02932642 3.89454305 2.0 phe gly + 0.43636452 0.05389401 4.20612459 2.6 phe thr + 0.39664510 0.04040127 3.97909758 2.6 phe ser + 0.37270815 -0.11268458 3.88510036 3.0 phe gln + 0.55039146 -0.03205935 4.10110530 2.6 phe asn + 0.33746013 -0.24962819 3.93827274 2.7 phe glu + 0.43948791 -0.14279533 4.16332864 2.3 phe asp + 0.57384992 -0.03571288 3.97249455 2.6 phe his + 0.49181945 0.18810757 3.92791573 3.4 phe arg + 0.34273176 -0.21712089 3.95551322 3.0 phe lys + 0.44953604 -0.00243978 3.77053096 2.9 phe pro + 0.26128467 0.01513555 3.69650927 3.8 phe sme + 0.20490480 -0.09214195 4.22979013 3.0 phe dbz + 0.47086276 -0.20131132 3.61044593 2.4 phe aib + 0.47086276 -0.20131132 3.61044593 2.4 phe abu + 0.40831404 -0.11390349 3.40782436 3.2 ile cys + 0.36166967 0.16294633 4.29852296 2.5 ile met + 0.17153929 0.01989158 4.28523432 2.8 ile phe + 0.47535754 0.30766747 3.94168510 3.2 ile ile + 0.29127023 -0.18034538 3.95620992 2.9 ile leu + 0.40891029 0.37221078 4.77230778 2.0 ile val + 0.40490198 0.25444624 3.55185603 4.3 ile trp + 0.40189859 0.12737180 3.99860644 3.1 ile tyr + 0.37442735 -0.07448267 3.66929044 2.7 ile ala + 0.38837277 0.21898895 3.87773858 2.1 ile gly + 0.48188659 0.47591913 4.59886714 2.2 ile thr + 0.26566057 -0.00988237 4.43023881 1.8 ile ser + 0.16126661 0.12105441 3.21763584 4.2 ile gln + 0.37751545 -0.07665185 3.55147963 3.1 ile asn + 0.26828456 -0.05165526 3.82344372 3.1 ile glu + 0.11152774 -0.21162156 4.20071886 2.1 ile asp + 0.27999892 -0.04581434 3.87438904 3.0 ile his + 0.28625871 0.18884379 4.27655600 2.9 ile arg + 0.51810565 0.20449041 4.52497861 1.8 ile lys + 0.27899493 0.14745809 4.93089469 1.5 ile pro + 0.36166967 0.16294633 4.29852296 2.5 ile sme + 0.17153929 0.01989158 4.28523432 2.8 ile dbz + 0.37442735 -0.07448267 3.66929044 2.7 ile aib + 0.37442735 -0.07448267 3.66929044 2.7 ile abu + 0.27669006 -0.08857650 3.97277369 2.4 leu cys + 0.46145819 0.11704558 4.94950826 1.2 leu met + 0.39499219 -0.06849736 3.52640364 3.7 leu phe + 0.37951422 0.12929207 3.95620992 2.9 leu ile + 0.37548431 0.25972538 4.68988538 2.2 leu leu + 0.31811044 -0.12698715 4.07045515 2.6 leu val + 0.56177403 0.27868668 3.78215175 3.7 leu trp + 0.38385722 0.09687124 3.56586168 3.7 leu tyr + 0.34823804 -0.09467021 4.02083643 1.8 leu ala + 0.47111001 0.19515789 3.78987702 2.1 leu gly + 0.48994191 0.30052632 4.61644076 2.0 leu thr + 0.33626266 -0.13893079 3.78032608 2.5 leu ser + 0.47005465 -0.09199330 3.89621932 2.5 leu gln + 0.41288855 0.02311019 3.71732693 2.8 leu asn + 0.32910008 -0.16223127 4.40927943 1.8 leu glu + 0.29408977 -0.05874025 4.12366306 2.3 leu asp + 0.43376746 0.01891589 3.48566489 3.5 leu his + 0.44700953 0.11595371 3.53775960 3.6 leu arg + 0.38429980 0.03881280 4.36103401 2.2 leu lys + 0.43262307 0.03816639 4.08852337 2.4 leu pro + 0.46145819 0.11704558 4.94950826 1.2 leu sme + 0.39499219 -0.06849736 3.52640364 3.7 leu dbz + 0.34823804 -0.09467021 4.02083643 1.8 leu aib + 0.34823804 -0.09467021 4.02083643 1.8 leu abu + 0.26123252 0.11055566 4.49587991 1.6 val cys + -0.11325692 -0.14606457 4.18347745 2.6 val met + 0.09409692 0.11177909 4.83243966 2.0 val phe + -0.00666800 -0.07497911 4.77230778 2.0 val ile + 0.28991366 0.17674772 4.07045515 2.6 val leu + -0.10515666 -0.11003497 4.12314563 2.8 val val + 0.30183179 0.14806296 3.74692371 3.7 val trp + 0.29338214 0.08282836 4.24592089 2.6 val tyr + 0.12064673 -0.00982537 4.10663351 1.7 val ala + 0.19385817 -0.03823541 3.80654563 2.0 val gly + -0.01013325 -0.07812848 3.79210798 3.1 val thr + 0.29858743 0.07767388 3.58093493 2.8 val ser + 0.35822386 -0.09616652 3.47357789 3.2 val gln + 0.34627205 -0.01311854 3.51658941 3.1 val asn + 0.06254100 -0.04565289 4.06702052 2.5 val glu + 0.18901220 -0.16654191 4.12654645 2.1 val asp + 0.24391223 0.13836662 4.17589586 2.4 val his + 0.06426380 0.09368312 4.00988606 3.0 val arg + -0.13595797 -0.17161034 4.64018900 2.0 val lys + 0.17932755 0.09383245 4.56454004 2.0 val pro + -0.11325692 -0.14606457 4.18347745 2.6 val sme + 0.09409692 0.11177909 4.83243966 2.0 val dbz + 0.12064673 -0.00982537 4.10663351 1.7 val aib + 0.12064673 -0.00982537 4.10663351 1.7 val abu + 0.31196785 0.02064366 3.63916207 3.6 trp cys + 0.46366596 -0.03700266 3.51061576 4.2 trp met + 0.58088610 -0.11066174 3.38863637 4.4 trp phe + 0.24583477 -0.33494927 3.55185603 4.3 trp ile + 0.32671974 -0.22702523 3.78215175 3.7 trp leu + 0.45612392 0.10634243 3.74692371 3.7 trp val + 0.36417512 -0.20528168 2.98506467 5.8 trp trp + 0.50155918 -0.12768864 3.15117399 5.1 trp tyr + 0.32812767 -0.00610991 3.47226781 3.7 trp ala + 0.40467084 -0.29644951 3.34936384 3.4 trp gly + 0.49007720 -0.23396191 4.06972159 2.9 trp thr + 0.46206287 -0.16415403 3.19708779 4.0 trp ser + 0.42889946 -0.18850961 3.34772285 4.3 trp gln + 0.51128091 -0.12547768 3.16744534 4.5 trp asn + 0.39266635 -0.37772802 3.09551785 4.5 trp glu + 0.48243867 0.01467772 3.56336594 3.9 trp asp + 0.42702047 -0.16605199 3.41608597 4.4 trp his + 0.52626838 -0.12547768 3.01681706 5.0 trp arg + 0.37799932 -0.12350334 3.76243382 3.8 trp lys + 0.49906417 -0.08578986 3.94460593 2.7 trp pro + 0.46366596 -0.03700266 3.51061576 4.2 trp sme + 0.58088610 -0.11066174 3.38863637 4.4 trp dbz + 0.32812767 -0.00610991 3.47226781 3.7 trp aib + 0.32812767 -0.00610991 3.47226781 3.7 trp abu + 0.61872403 -0.14590233 3.48308370 3.1 tyr cys + 0.51373838 0.10165708 4.06080648 3.0 tyr met + 0.48847918 -0.25213997 3.56784740 3.7 tyr phe + 0.61169095 0.09973185 3.99860644 3.1 tyr ile + 0.59378113 -0.01121051 3.56586168 3.7 tyr leu + 0.46928231 -0.00248010 4.24592089 2.6 tyr val + 0.43672853 -0.13447255 3.15117399 5.1 tyr trp + 0.48884849 -0.22303211 2.84305042 5.2 tyr tyr + 0.67005094 -0.07584168 3.22022624 3.4 tyr ala + 0.65174425 -0.24311887 3.86011481 2.0 tyr gly + 0.50879141 -0.25935026 4.15837027 2.5 tyr thr + 0.54564025 -0.22727470 3.66401120 2.7 tyr ser + 0.66853458 -0.14863634 3.50128149 3.5 tyr gln + 0.65954068 -0.14062835 3.33886112 3.6 tyr asn + 0.50689915 -0.32717288 3.42836329 3.5 tyr glu + 0.51002994 -0.14640234 3.25938544 4.0 tyr asp + 0.61200946 -0.24411836 4.02269765 2.4 tyr his + 0.46534272 -0.20073886 3.36685862 4.3 tyr arg + 0.42351858 -0.18191847 4.14326778 2.9 tyr lys + 0.47769600 -0.16559256 3.95285757 2.9 tyr pro + 0.51373838 0.10165708 4.06080648 3.0 tyr sme + 0.48847918 -0.25213997 3.56784740 3.7 tyr dbz + 0.67005094 -0.07584168 3.22022624 3.4 tyr aib + 0.67005094 -0.07584168 3.22022624 3.4 tyr abu + 0.31170564 0.13087300 3.40011763 2.2 ala cys + 0.35817150 -0.05118436 3.17380260 3.3 ala met + 0.35531356 -0.07100358 3.61044593 2.4 ala phe + 0.16898670 0.06047415 3.66929044 2.7 ala ile + 0.29707520 -0.00251129 4.02083643 1.8 ala leu + 0.16009076 -0.19966586 4.10663351 1.7 ala val + 0.33543361 0.02729744 3.47226781 3.7 ala trp + 0.40771637 0.04944451 3.22022624 3.4 ala tyr + 0.32491593 0.00199416 3.48648915 1.4 ala ala + 0.32250163 0.00199416 3.50576712 1.1 ala gly + 0.44809712 -0.03625897 3.28319535 2.9 ala thr + 0.32570984 0.00199416 3.48018928 2.2 ala ser + 0.25708601 -0.02518611 3.98829105 2.0 ala gln + 0.27223871 0.02170282 3.77047757 2.1 ala asn + 0.37126794 -0.02710099 3.50057256 2.6 ala glu + 0.15955468 -0.05289865 3.56513816 2.4 ala asp + 0.41120950 0.04944451 3.19268981 2.9 ala his + 0.27446733 0.00786488 4.09477647 1.9 ala arg + 0.22981425 -0.09322596 4.42291744 0.9 ala lys + 0.37507388 0.05588781 3.38612759 2.5 ala pro + 0.35817150 -0.05118436 3.17380260 3.3 ala sme + 0.35531356 -0.07100358 3.61044593 2.4 ala dbz + 0.32491593 0.00199416 3.48648915 1.4 ala aib + 0.32491593 0.00199416 3.48648915 1.4 ala abu + -0.00336656 0.02622444 3.70421858 1.6 gly cys + -0.09302725 0.26319430 3.43153041 2.6 gly met + -0.09760057 0.17790940 3.89454305 2.0 gly phe + -0.22751502 0.17812915 3.87773858 2.1 gly ile + -0.25069250 0.09450769 3.78987702 2.1 gly leu + -0.18213085 0.07188032 3.80654563 2.0 gly val + 0.02178246 0.08557004 3.34936384 3.4 gly trp + -0.11493048 0.22893358 3.86011481 2.0 gly tyr + -0.11323243 0.10823838 3.50576712 1.1 gly ala + -0.11186659 0.10823838 3.52493966 0.8 gly gly + -0.15040905 0.28755373 3.59967226 2.3 gly thr + -0.11368436 0.10823838 3.49950195 1.9 gly ser + -0.03597803 0.10164763 4.26660952 1.4 gly gln + -0.11204539 0.10823838 3.52240926 2.4 gly asn + -0.23143037 -0.03794759 3.90940249 1.9 gly glu + -0.14158106 -0.07444570 3.87388976 1.8 gly asp + -0.11031945 0.23711722 3.23796583 3.0 gly his + -0.17946054 0.00419438 3.25922115 3.2 gly arg + -0.29030826 0.10161339 4.01153241 1.5 gly lys + -0.01947913 0.15568872 3.41316198 2.1 gly pro + -0.09302725 0.26319430 3.43153041 2.6 gly sme + -0.09760057 0.17790940 3.89454305 2.0 gly dbz + -0.11323243 0.10823838 3.50576712 1.1 gly aib + -0.11323243 0.10823838 3.50576712 1.1 gly abu + 0.25327931 0.01671477 4.56079263 1.3 thr cys + 0.23416404 0.05555785 4.19683352 2.2 thr met + -0.05802816 -0.16538168 4.20612459 2.6 thr phe + -0.00442492 -0.07151185 4.59886714 2.2 thr ile + 0.07792594 0.14574366 4.61644076 2.0 thr leu + 0.17777770 0.04200606 3.79210798 3.1 thr val + 0.28036614 0.17671473 4.06972159 2.9 thr trp + 0.21670162 0.02128130 4.15837027 2.5 thr tyr + 0.28703884 0.05657710 3.28319535 2.9 thr ala + 0.20185014 -0.02758099 3.59967226 2.3 thr gly + -0.02168311 0.07585571 4.09544630 2.8 thr thr + 0.12417560 -0.13819171 3.43029089 3.1 thr ser + 0.19988109 -0.12547841 3.29954085 3.6 thr gln + 0.09516162 -0.02303978 3.87932811 2.9 thr asn + -0.00509545 -0.16916448 3.91402729 2.8 thr glu + -0.23145136 -0.34804909 3.89588321 2.3 thr asp + 0.01936770 -0.15186953 4.11716100 2.7 thr his + 0.16868560 0.15199778 4.12871646 2.8 thr arg + 0.37511648 0.23392103 5.19110983 0.8 thr lys + 0.14543985 0.10143310 3.81482913 2.9 thr pro + 0.23416404 0.05555785 4.19683352 2.2 thr sme + -0.05802816 -0.16538168 4.20612459 2.6 thr dbz + 0.28703884 0.05657710 3.28319535 2.9 thr aib + 0.28703884 0.05657710 3.28319535 2.9 thr abu + 0.21517295 -0.24554423 3.77359853 2.0 ser cys + 0.25883244 -0.12670009 4.09465313 1.6 ser met + 0.14102918 -0.01538099 3.97909758 2.6 ser phe + 0.25921833 0.08059688 4.43023881 1.8 ser ile + 0.20136778 -0.16976156 3.78032608 2.5 ser leu + 0.28531354 -0.09273778 3.58093493 2.8 ser val + 0.39448436 -0.03696454 3.19708779 4.0 ser trp + 0.43603784 0.09648460 3.66401120 2.7 ser tyr + 0.30692270 -0.04308303 3.48018928 2.2 ser ala + 0.30457335 -0.04308303 3.49950195 1.9 ser gly + 0.32020038 0.00223073 3.43029089 3.1 ser thr + 0.30769547 -0.04308303 3.47387798 2.4 ser ser + 0.11488573 -0.13472978 3.12392468 3.9 ser gln + 0.21105760 -0.12158253 3.72665420 2.4 ser asn + 0.04115496 0.04092516 4.61451625 1.5 ser glu + 0.10088016 -0.28980003 3.72754795 2.4 ser asp + 0.17721632 -0.10937848 3.18728475 3.7 ser his + 0.13355810 -0.32587585 3.87794402 2.5 ser arg + 0.22605173 -0.17882693 4.37211026 1.5 ser lys + 0.13546239 -0.16030706 4.22414116 2.0 ser pro + 0.25883244 -0.12670009 4.09465313 1.6 ser sme + 0.14102918 -0.01538099 3.97909758 2.6 ser dbz + 0.30692270 -0.04308303 3.48018928 2.2 ser aib + 0.30692270 -0.04308303 3.48018928 2.2 ser abu + 0.46907450 0.23814067 3.49518888 3.0 gln cys + 0.64462489 0.20629501 3.53814108 3.3 gln met + 0.62450221 0.26002714 3.88510036 3.0 gln phe + 0.64883105 0.31118595 3.21763584 4.2 gln ile + 0.52131440 0.03272724 3.89621932 2.5 gln leu + 0.65106047 0.16613237 3.47357789 3.2 gln val + 0.57768605 0.14932176 3.34772285 4.3 gln trp + 0.55788468 0.30256567 3.50128149 3.5 gln tyr + 0.47680255 0.04342046 3.98829105 2.0 gln ala + 0.47868436 -0.03204437 4.26660952 1.4 gln gly + 0.45754127 0.06306618 3.29954085 3.6 gln thr + 0.59818612 0.19256561 3.12392468 3.9 gln ser + 0.55149012 -0.02069686 3.92298950 2.4 gln gln + 0.55970840 0.15394656 3.33545255 3.7 gln asn + 0.52123754 0.23540666 3.53114474 3.5 gln glu + 0.56477134 0.12111678 4.15342990 2.3 gln asp + 0.60162954 0.19256561 3.09986815 4.1 gln his + 0.41096673 -0.00430890 3.59510761 3.4 gln arg + 0.54772483 0.12647211 4.40523407 1.8 gln lys + 0.65056464 0.45016870 4.27763332 2.2 gln pro + 0.64462489 0.20629501 3.53814108 3.3 gln sme + 0.62450221 0.26002714 3.88510036 3.0 gln dbz + 0.47680255 0.04342046 3.98829105 2.0 gln aib + 0.47680255 0.04342046 3.98829105 2.0 gln abu + 0.57572212 0.14373398 3.09416287 3.6 asn cys + 0.44333739 0.28309684 4.06717512 2.5 asn met + 0.44442019 0.21261136 4.10110530 2.6 asn phe + 0.49499497 0.11891284 3.55147963 3.1 asn ile + 0.53576677 0.15090652 3.71732693 2.8 asn leu + 0.52751327 0.11911315 3.51658941 3.1 asn val + 0.52684562 0.21607903 3.16744534 4.5 asn trp + 0.57007352 0.24209638 3.33886112 3.6 asn tyr + 0.53360274 0.10469691 3.77047757 2.1 asn ala + 0.53096441 0.17749158 3.52240926 2.4 asn gly + 0.40760213 0.22182945 3.87932811 2.9 asn thr + 0.47722200 0.11590346 3.72665420 2.4 asn ser + 0.43939620 0.14592084 3.33545255 3.7 asn gln + 0.46547953 0.08929379 3.07503648 4.2 asn asn + 0.45066424 0.03916198 3.88381092 2.6 asn glu + 0.56591130 0.16761648 3.73937544 2.6 asn asp + 0.53142890 0.30777945 3.38670300 3.4 asn his + 0.30442390 0.01364112 4.48141529 1.9 asn arg + 0.27593110 0.18004212 4.18933053 2.5 asn lys + 0.50353752 0.32164896 3.73467727 2.9 asn pro + 0.44333739 0.28309684 4.06717512 2.5 asn sme + 0.44442019 0.21261136 4.10110530 2.6 asn dbz + 0.53360274 0.10469691 3.77047757 2.1 asn aib + 0.53360274 0.10469691 3.77047757 2.1 asn abu + 0.45167162 0.28718023 3.99873956 2.0 glu cys + 0.58329544 0.31669128 3.41282057 3.5 glu met + 0.65649724 0.21234517 3.93827274 2.7 glu phe + 0.53672118 0.18971451 3.82344372 3.1 glu ile + 0.61529042 0.23787159 4.40927943 1.8 glu leu + 0.57711221 0.16371932 4.06702052 2.5 glu val + 0.57842612 0.14725703 3.09551785 4.5 glu trp + 0.68045805 0.20875844 3.42836329 3.5 glu tyr + 0.52828434 0.09169166 3.50057256 2.6 glu ala + 0.54349648 0.27262886 3.90940249 1.9 glu gly + 0.65080974 0.43402569 3.91402729 2.8 glu thr + 0.47242896 0.07323090 4.61451625 1.5 glu ser + 0.45962325 0.34422613 3.53114474 3.5 glu gln + 0.45784628 0.08542837 3.88381092 2.6 glu asn + 0.45136983 0.32035022 3.77778958 2.9 glu glu + 0.40995790 -0.03116378 4.26798075 2.0 glu asp + 0.52859120 0.16354546 3.78696151 3.1 glu his + 0.55740234 0.22045560 3.81136201 3.1 glu arg + 0.55181260 0.35744091 4.66520100 1.6 glu lys + 0.66236078 0.36052823 3.47970840 3.3 glu pro + 0.58329544 0.31669128 3.41282057 3.5 glu sme + 0.65649724 0.21234517 3.93827274 2.7 glu dbz + 0.52828434 0.09169166 3.50057256 2.6 glu aib + 0.52828434 0.09169166 3.50057256 2.6 glu abu + 0.32481843 0.30241943 3.42940555 3.0 asp cys + 0.48146154 0.12184204 3.94820588 2.2 asp met + 0.49531096 0.13459205 4.16332864 2.3 asp phe + 0.48629858 0.10892335 4.20071886 2.1 asp ile + 0.42458969 0.04067298 4.12366306 2.3 asp leu + 0.46012374 0.06388031 4.12654645 2.1 asp val + 0.44400377 0.21493328 3.56336594 3.9 asp trp + 0.49469528 0.08857244 3.25938544 4.0 asp tyr + 0.43791837 0.09152666 3.56513816 2.4 asp ala + 0.40782681 0.10505865 3.87388976 1.8 asp gly + 0.53260595 0.06977694 3.89588321 2.3 asp thr + 0.41899901 0.06697791 3.72754795 2.4 asp ser + 0.31470323 0.16090621 4.15342990 2.3 asp gln + 0.41087617 0.03408678 3.73937544 2.6 asp asn + 0.36889970 -0.15930847 4.26798075 2.0 asp glu + 0.49914534 0.28237257 3.82849221 2.6 asp asp + 0.35831041 0.17803592 3.53238450 3.3 asp his + 0.46844169 0.00518452 2.71889129 5.3 asp arg + 0.33974035 0.00746795 4.11707156 2.3 asp lys + 0.58065436 0.12893457 3.46466683 2.9 asp pro + 0.48146154 0.12184204 3.94820588 2.2 asp sme + 0.49531096 0.13459205 4.16332864 2.3 asp dbz + 0.43791837 0.09152666 3.56513816 2.4 asp aib + 0.43791837 0.09152666 3.56513816 2.4 asp abu + 0.66712991 -0.00059312 3.45279388 2.8 his cys + 0.62023666 0.07810136 3.67829283 2.8 his met + 0.54813450 0.02387399 3.97249455 2.6 his phe + 0.50448776 0.10129703 3.87438904 3.0 his ile + 0.43502367 -0.13271534 3.48566489 3.5 his leu + 0.50083039 0.09390639 4.17589586 2.4 his val + 0.34876524 0.17810403 3.41608597 4.4 his trp + 0.52214146 -0.08932064 4.02269765 2.4 his tyr + 0.62795477 -0.02594442 3.19268981 2.9 his ala + 0.55372190 0.05824969 3.23796583 3.0 his gly + 0.41891546 0.11138432 4.11716100 2.7 his thr + 0.54068082 -0.04376077 3.18728475 3.7 his ser + 0.52837481 -0.09497389 3.09986815 4.1 his gln + 0.59926199 -0.09807584 3.38670300 3.4 his asn + 0.30784556 -0.28464757 3.78696151 3.1 his glu + 0.57435087 0.02111146 3.53238450 3.3 his asp + 0.65809056 -0.09152492 2.98047276 4.0 his his + 0.54935375 -0.06444900 3.84130645 3.2 his arg + 0.55747594 0.18348617 4.00467347 2.6 his lys + 0.61284214 0.16197710 3.89481022 2.5 his pro + 0.62023666 0.07810136 3.67829283 2.8 his sme + 0.54813450 0.02387399 3.97249455 2.6 his dbz + 0.62795477 -0.02594442 3.19268981 2.9 his aib + 0.62795477 -0.02594442 3.19268981 2.9 his abu + 0.75225350 0.20735450 3.53908504 2.8 arg cys + 0.61621105 0.32748378 3.92004157 3.0 arg met + 0.66251194 0.14629924 3.92791573 3.4 arg phe + 0.57629387 0.00597023 4.27655600 2.9 arg ile + 0.74108830 0.24297317 3.53775960 3.6 arg leu + 0.62859689 0.04738249 4.00988606 3.0 arg val + 0.76107791 0.21620637 3.01681706 5.0 arg trp + 0.64334219 -0.01420347 3.36685862 4.3 arg tyr + 0.61765505 -0.23266856 4.09477647 1.9 arg ala + 0.63577289 0.03826170 3.25922115 3.2 arg gly + 0.52962288 0.04658043 4.12871646 2.8 arg thr + 0.57322475 -0.01630823 3.87794402 2.5 arg ser + 0.63768385 -0.04885203 3.59510761 3.4 arg gln + 0.60938603 0.03300984 4.48141529 1.9 arg asn + 0.63351724 -0.10980006 3.81136201 3.1 arg glu + 0.63619125 -0.04461328 2.71889129 5.3 arg asp + 0.61095825 0.10189057 3.84130645 3.2 arg his + 0.71730775 0.08728438 2.81437659 5.4 arg arg + 0.60658407 -0.03333816 4.23716346 2.5 arg lys + 0.68568576 0.07786298 3.77385723 3.0 arg pro + 0.61621105 0.32748378 3.92004157 3.0 arg sme + 0.66251194 0.14629924 3.92791573 3.4 arg dbz + 0.61765505 -0.23266856 4.09477647 1.9 arg aib + 0.61765505 -0.23266856 4.09477647 1.9 arg abu + 0.76470157 0.76084085 3.85035238 2.3 lys cys + 0.67255968 0.44875322 4.49980555 2.0 lys met + 0.76960024 0.60831176 3.95551322 3.0 lys phe + 0.61378093 0.26242515 4.52497861 1.8 lys ile + 0.71563444 0.68072580 4.36103401 2.2 lys leu + 0.67409525 0.58814366 4.64018900 2.0 lys val + 0.88671210 1.00380282 3.76243382 3.8 lys trp + 0.67158296 0.42635325 4.14326778 2.9 lys tyr + 0.67254432 0.35248523 4.42291744 0.9 lys ala + 0.69462202 0.31735268 4.01153241 1.5 lys gly + 0.58760205 0.22591520 5.19110983 0.8 lys thr + 0.62437605 0.35173136 4.37211026 1.5 lys ser + 0.70291910 0.54587675 4.40523407 1.8 lys gln + 0.71487329 0.62683782 4.18933053 2.5 lys asn + 0.63139916 0.33371478 4.66520100 1.6 lys glu + 0.72656677 0.46183912 4.11707156 2.3 lys asp + 0.83364969 0.89847717 4.00467347 2.6 lys his + 0.77862679 0.71215250 4.23716346 2.5 lys arg + 0.56582949 -0.04350298 4.78186650 1.3 lys lys + 0.80330046 0.84741487 4.53882609 2.0 lys pro + 0.67255968 0.44875322 4.49980555 2.0 lys sme + 0.76960024 0.60831176 3.95551322 3.0 lys dbz + 0.67254432 0.35248523 4.42291744 0.9 lys aib + 0.67254432 0.35248523 4.42291744 0.9 lys abu + 0.49304685 -0.20581200 3.62096650 1.9 pro cys + 0.12683702 -0.30939905 3.76955189 2.7 pro met + 0.11511445 -0.18829660 3.77053096 2.9 pro phe + 0.05125111 -0.18929142 4.93089469 1.5 pro ile + 0.11747631 -0.02693818 4.08852337 2.4 pro leu + 0.26952062 0.30671521 4.56454004 2.0 pro val + 0.38994700 -0.04061465 3.94460593 2.7 pro trp + 0.29377104 0.11826092 3.95285757 2.9 pro tyr + 0.25804259 -0.13915496 3.38612759 2.5 pro ala + 0.38094914 -0.14696919 3.41316198 2.1 pro gly + 0.30752420 0.17160109 3.81482913 2.9 pro thr + 0.07822398 0.05027273 4.22414116 2.0 pro ser + 0.14107113 -0.04129291 4.27763332 2.2 pro gln + 0.21471187 -0.00268809 3.73467727 2.9 pro asn + 0.22170637 -0.11224658 3.47970840 3.3 pro glu + 0.08872349 -0.40993001 3.46466683 2.9 pro asp + 0.31135187 0.03163507 3.89481022 2.5 pro his + 0.38918420 0.21697911 3.77385723 3.0 pro arg + -0.11536833 -0.12070488 4.53882609 2.0 pro lys + 0.24887782 -0.07176013 3.66640730 2.7 pro pro + 0.12683702 -0.30939905 3.76955189 2.7 pro sme + 0.11511445 -0.18829660 3.77053096 2.9 pro dbz + 0.25804259 -0.13915496 3.38612759 2.5 pro aib + 0.25804259 -0.13915496 3.38612759 2.5 pro abu + 0.68048894 -0.06899195 3.60729199 2.1 sme cys + 0.47168906 -0.01389221 3.62448254 3.4 sme met + 0.38809483 0.05839704 3.69650927 3.8 sme phe + 0.30403358 -0.17995008 4.29852296 2.5 sme ile + 0.33973020 -0.34834021 4.94950826 1.2 sme leu + 0.30071237 0.01285368 4.18347745 2.6 sme val + 0.52333332 0.17569346 3.51061576 4.2 sme trp + 0.61170525 0.20950877 4.06080648 3.0 sme tyr + 0.41902197 -0.08043824 3.17380260 3.3 sme ala + 0.52139540 0.00438353 3.43153041 2.6 sme gly + 0.49784550 0.12355497 4.19683352 2.2 sme thr + 0.63180941 -0.16149377 4.09465313 1.6 sme ser + 0.44886809 -0.15991724 3.53814108 3.3 sme gln + 0.41073744 0.00740397 4.06717512 2.5 sme asn + 0.54442625 -0.07267571 3.41282057 3.5 sme glu + 0.63996137 -0.06915184 3.94820588 2.2 sme asp + 0.62501187 0.11051556 3.67829283 2.8 sme his + 0.53066821 0.05034669 3.92004157 3.0 sme arg + 0.33560623 -0.08136851 4.49980555 2.0 sme lys + 0.49366704 -0.10767906 3.76955189 2.7 sme pro + 0.47168906 -0.01389221 3.62448254 3.4 sme sem + 0.38809483 0.05839704 3.69650927 3.8 sme dbz + 0.41902197 -0.08043824 3.17380260 3.3 sme aib + 0.41902197 -0.08043824 3.17380260 3.3 sme abu + 0.26128467 0.01513555 3.69650927 3.8 dbz met + 0.20490480 -0.09214195 4.22979013 3.0 dbz phe + 0.28320764 -0.11272094 4.28523432 2.8 dbz ile + 0.49776022 0.15233796 3.52640364 3.7 dbz leu + 0.38397299 0.13538890 4.83243966 2.0 dbz val + 0.37298546 -0.07130682 3.38863637 4.4 dbz trp + 0.50532840 -0.04912285 3.56784740 3.7 dbz tyr + 0.47086276 -0.20131132 3.61044593 2.4 dbz ala + 0.47136787 -0.02932642 3.89454305 2.0 dbz gly + 0.43636452 0.05389401 4.20612459 2.6 dbz thr + 0.39664510 0.04040127 3.97909758 2.6 dbz ser + 0.37270815 -0.11268458 3.88510036 3.0 dbz gln + 0.55039146 -0.03205935 4.10110530 2.6 dbz asn + 0.33746013 -0.24962819 3.93827274 2.7 dbz glu + 0.43948791 -0.14279533 4.16332864 2.3 dbz asp + 0.57384992 -0.03571288 3.97249455 2.6 dbz his + 0.49181945 0.18810757 3.92791573 3.4 dbz arg + 0.34273176 -0.21712089 3.95551322 3.0 dbz lys + 0.44953604 -0.00243978 3.77053096 2.9 dbz pro + 0.26128467 0.01513555 3.69650927 3.8 dbz sme + 0.20490480 -0.09214195 4.22979013 3.0 dbz dbz + 0.47086276 -0.20131132 3.61044593 2.4 dbz aib + 0.47086276 -0.20131132 3.61044593 2.4 dbz abu + 0.31170564 0.13087300 3.40011763 2.2 ala cys + 0.35817150 -0.05118436 3.17380260 3.3 ala met + 0.35531356 -0.07100358 3.61044593 2.4 ala phe + 0.16898670 0.06047415 3.66929044 2.7 ala ile + 0.29707520 -0.00251129 4.02083643 1.8 ala leu + 0.16009076 -0.19966586 4.10663351 1.7 ala val + 0.33543361 0.02729744 3.47226781 3.7 ala trp + 0.40771637 0.04944451 3.22022624 3.4 ala tyr + 0.32491593 0.00199416 3.48648915 1.4 ala ala + 0.32250163 0.00199416 3.50576712 1.1 ala gly + 0.44809712 -0.03625897 3.28319535 2.9 ala thr + 0.32570984 0.00199416 3.48018928 2.2 ala ser + 0.25708601 -0.02518611 3.98829105 2.0 ala gln + 0.27223871 0.02170282 3.77047757 2.1 ala asn + 0.37126794 -0.02710099 3.50057256 2.6 ala glu + 0.15955468 -0.05289865 3.56513816 2.4 ala asp + 0.41120950 0.04944451 3.19268981 2.9 ala his + 0.27446733 0.00786488 4.09477647 1.9 ala arg + 0.22981425 -0.09322596 4.42291744 0.9 ala lys + 0.37507388 0.05588781 3.38612759 2.5 ala pro + 0.35817150 -0.05118436 3.17380260 3.3 ala sme + 0.35531356 -0.07100358 3.61044593 2.4 ala dbz + 0.32491593 0.00199416 3.48648915 1.4 ala aib + 0.32491593 0.00199416 3.48648915 1.4 ala abu + 0.31170564 0.13087300 3.40011763 2.2 ala cys + 0.35817150 -0.05118436 3.17380260 3.3 ala met + 0.35531356 -0.07100358 3.61044593 2.4 ala phe + 0.16898670 0.06047415 3.66929044 2.7 ala ile + 0.29707520 -0.00251129 4.02083643 1.8 ala leu + 0.16009076 -0.19966586 4.10663351 1.7 ala val + 0.33543361 0.02729744 3.47226781 3.7 ala trp + 0.40771637 0.04944451 3.22022624 3.4 ala tyr + 0.32491593 0.00199416 3.48648915 1.4 ala ala + 0.32250163 0.00199416 3.50576712 1.1 ala gly + 0.44809712 -0.03625897 3.28319535 2.9 ala thr + 0.32570984 0.00199416 3.48018928 2.2 ala ser + 0.25708601 -0.02518611 3.98829105 2.0 ala gln + 0.27223871 0.02170282 3.77047757 2.1 ala asn + 0.37126794 -0.02710099 3.50057256 2.6 ala glu + 0.15955468 -0.05289865 3.56513816 2.4 ala asp + 0.41120950 0.04944451 3.19268981 2.9 ala his + 0.27446733 0.00786488 4.09477647 1.9 ala arg + 0.22981425 -0.09322596 4.42291744 0.9 ala lys + 0.37507388 0.05588781 3.38612759 2.5 ala pro + 0.35817150 -0.05118436 3.17380260 3.3 ala sme + 0.35531356 -0.07100358 3.61044593 2.4 ala dbz + 0.32491593 0.00199416 3.48648915 1.4 ala aib + 0.32491593 0.00199416 3.48648915 1.4 ala abu +