From 76ef494efde78d2d85d0e72d936c13166961256c Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 12 Mar 2020 22:55:27 +0100 Subject: [PATCH] update PARAM --- PARAM/7protext.parm.tar.gz | Bin 0 -> 6167 bytes PARAM/AA_abinitio.thet.parm.12-6-start3-torv0 | 159 + PARAM/A_abinitio.thet.parm.16 | 32 + PARAM/A_abinitio.thet.parm.32 | 33 + PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm | 713 + PARAM/GAP_new_abinitio.thet.parm | 25 + PARAM/Lip_tran_initial_ext.parm | 25 + PARAM/Lip_tran_mod_ext.parm | 25 + PARAM/bond_AM1_ext_dum.parm | 26 + PARAM/bond_ext_dum.parm | 25 + PARAM/extold.tar.gz | Bin 0 -> 80290 bytes PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 | 43 + PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new | 71 + PARAM/fourier_opt_iter0_7prot-eps.parm | 43 + PARAM/fourier_opt_iter0_7prot-eps_ext.parm | 1 + PARAM/fourier_opt_iter1_7p_old-ext.parm | 43 + PARAM/fourier_opt_iter1_7p_old.parm | 43 + PARAM/rotamers_AM1_aura_ext.10022007.parm | 1520 + ..._opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k | 136 + ..._ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip | 244 + PARAM/sc_GB_opt_iter0_7prot-eps.parm | 74 + PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm | 248 + PARAM/sc_GB_opt_iter1_7p_old-ext.parm | 1 + PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm | 245 + PARAM/sc_GB_opt_iter1_7p_old.parm | 74 + PARAM/sccor_am1_pawel_ext.dat | 6002 ++++ PARAM/scinter_GBV_extGB.parm | 252 + PARAM/scinter_GBV_ext_lipid.parm | 252 + PARAM/scinter_GBV_ext_soft.parm | 252 + PARAM/scinter_GB_ext_lip.parm | 245 + PARAM/theta_abinitio_old_ext.parm |30602 ++++++++++++++++++++ PARAM/tor_opt_iter0_7prot-eps.parm | 252 + PARAM/tor_opt_iter0_7prot-eps_ext.parm | 252 + PARAM/tor_opt_iter1_7p_old-ext.parm | 180 + PARAM/tor_opt_iter1_7p_old.parm | 85 + PARAM/torsion_631Gdp_old.parm | 180 + PARAM/torsion_631Gdp_old_ext.parm | 180 + PARAM/torsion_double_631Gdp_old.parm | 5317 ++++ PARAM/torsion_double_631Gdp_old_ext.parm | 5317 ++++ PARAM/ttt | 252 + PARAM/tube.parm | 26 + PARAM/weights_opt_FF2.parm | 4 + PARAM/weights_opt_iter0_7p_old-ext.parm | 5 + PARAM/weights_opt_iter1_7p_old-ext.parm | 5 + 44 files changed, 53509 insertions(+) create mode 100644 PARAM/7protext.parm.tar.gz create mode 100644 PARAM/AA_abinitio.thet.parm.12-6-start3-torv0 create mode 100644 PARAM/A_abinitio.thet.parm.16 create mode 100644 PARAM/A_abinitio.thet.parm.32 create mode 100644 PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm create mode 100644 PARAM/GAP_new_abinitio.thet.parm create mode 100644 PARAM/Lip_tran_initial_ext.parm create mode 100644 PARAM/Lip_tran_mod_ext.parm create mode 100644 PARAM/bond_AM1_ext_dum.parm create mode 100644 PARAM/bond_ext_dum.parm create mode 100644 PARAM/extold.tar.gz create mode 100644 PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 create mode 100644 PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new create mode 100644 PARAM/fourier_opt_iter0_7prot-eps.parm create mode 120000 PARAM/fourier_opt_iter0_7prot-eps_ext.parm create mode 100644 PARAM/fourier_opt_iter1_7p_old-ext.parm create mode 100644 PARAM/fourier_opt_iter1_7p_old.parm create mode 100644 PARAM/rotamers_AM1_aura_ext.10022007.parm create mode 100644 PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k create mode 100644 PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip create mode 100644 PARAM/sc_GB_opt_iter0_7prot-eps.parm create mode 100644 PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm create mode 120000 PARAM/sc_GB_opt_iter1_7p_old-ext.parm create mode 100644 PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm create mode 100644 PARAM/sc_GB_opt_iter1_7p_old.parm create mode 100644 PARAM/sccor_am1_pawel_ext.dat create mode 100644 PARAM/scinter_GBV_extGB.parm create mode 100644 PARAM/scinter_GBV_ext_lipid.parm create mode 100644 PARAM/scinter_GBV_ext_soft.parm create mode 100644 PARAM/scinter_GB_ext_lip.parm create mode 100644 PARAM/theta_abinitio_old_ext.parm create mode 100644 PARAM/tor_opt_iter0_7prot-eps.parm create mode 100644 PARAM/tor_opt_iter0_7prot-eps_ext.parm create mode 100644 PARAM/tor_opt_iter1_7p_old-ext.parm create mode 100644 PARAM/tor_opt_iter1_7p_old.parm create mode 100644 PARAM/torsion_631Gdp_old.parm create mode 100644 PARAM/torsion_631Gdp_old_ext.parm create mode 100644 PARAM/torsion_double_631Gdp_old.parm create mode 100644 PARAM/torsion_double_631Gdp_old_ext.parm create mode 100644 PARAM/ttt create mode 100644 PARAM/tube.parm create mode 100644 PARAM/weights_opt_FF2.parm create mode 100644 PARAM/weights_opt_iter0_7p_old-ext.parm create mode 100644 PARAM/weights_opt_iter1_7p_old-ext.parm diff --git a/PARAM/7protext.parm.tar.gz b/PARAM/7protext.parm.tar.gz new file mode 100644 index 0000000000000000000000000000000000000000..6146c474463752daa19dde9cfe4e2f00e5f99422 GIT binary patch literal 6167 zcmV+y80hC8iwFQXx_?&y1MQsKt{lg8hIKtpG1m%aT<60@E)>L2E(}C(KoB>GyhnQ>q z-KRgk`Tk$ty#Mg|&5xhoeROZ?hmY?+pWc1=^yb|!pWpoS2e0UkZ$JO|^SggW 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+0.6194060830 +2.3436543631 +1.1719665455 +-0.0857561709 +-0.4593221380 +0.4016327958 +1.5819737999 +-0.3863379171 +-0.3827200865 +0.0284352341 +0.5181532275 +0.7975616209 +0.3937759008 +0.4225672135 +-1.7776089414 +1.5248768711 +5.3697703008 +2.6900849191 +-2.7219230628 +-0.3721211670 +2.3902051187 +0.8949247235 +-1.0681299083 +1.6364325390 +3.8778641409 +-0.0114104693 +-0.0755905926 diff --git a/PARAM/A_abinitio.thet.parm.16 b/PARAM/A_abinitio.thet.parm.16 new file mode 100644 index 0000000..08d1853 --- /dev/null +++ b/PARAM/A_abinitio.thet.parm.16 @@ -0,0 +1,32 @@ +v11 1.5042110253 1 +v21 2.4960272935 1 +v12 2.8811392539 1 +v22 2.0587390552 1 +v13 0.6157993704 1 +v23 -0.2364345048 1 +v14 0.0002844818 1 +v24 0.6506955228 1 +v15 0.9040301836 1 +v25 0.8568694351 1 +v16 1.0744209175 1 +v26 1.4854535195 1 +v17 1.4372624187 1 +v27 0.8030745051 1 +v18 0.2961162772 1 +v28 0.4483366176 1 +v19 0.8827707660 1 +v29 0.9841908625 1 +v110 0.8094751126 1 +v220 0.8223017679 1 +v111 1.0471727830 1 +v211 1.0792807241 1 +v112 0.8154397256 1 +v212 0.6001544387 1 +v113 0.6019098520 1 +v213 0.5595959902 1 +v114 0.3095508007 1 +v214 0.1067034591 1 +v115 0.1475373198 1 +v215 0.1727722952 1 +v116 -0.0205221855 1 +v216 0.0701980323 1 diff --git a/PARAM/A_abinitio.thet.parm.32 b/PARAM/A_abinitio.thet.parm.32 new file mode 100644 index 0000000..a526b82 --- /dev/null +++ b/PARAM/A_abinitio.thet.parm.32 @@ -0,0 +1,33 @@ +32 +1.5042110253 +2.4960272935 +2.8811392539 +2.0587390552 +0.6157993704 +-0.2364345048 +0.0002844818 +0.6506955228 +0.9040301836 +0.8568694351 +1.0744209175 +1.4854535195 +1.4372624187 +0.8030745051 +0.2961162772 +0.4483366176 +0.8827707660 +0.9841908625 +0.8094751126 +0.8223017679 +1.0471727830 +1.0792807241 +0.8154397256 +0.6001544387 +0.6019098520 +0.5595959902 +0.3095508007 +0.1067034591 +0.1475373198 +0.1727722952 +-0.0205221855 +0.0701980323 diff --git a/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm b/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm new file mode 100644 index 0000000..ffd9859 --- /dev/null +++ b/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm @@ -0,0 +1,713 @@ +2 *** Parameters of the backbone valence-torsional potentials derived by integrating MP2/6-31G** local-interaction energy surfaces *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 +3 6 GG_abinitio.thet.parm.3-6-free-maxlik-torv0 + -3.8370878973 + -7.0437347422 + 5.0154733197 + 15.8767031312 + 4.6879860932 + -16.3790452548 + -0.5526241355 + -0.3254093451 + 6.1404276003 + 6.3582896836 + -5.6822583166 + -12.2475370620 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + -0.0082742837 + 0.0000000000 + 0.9736572794 + -29.0543360833 + 28.1691304398 + 27.0465397660 + -45.3297433676 + 33.5039816715 + 24.5691891112 + -6.9263350061 + -5.1220779916 + 6.2455884810 + -2.8930653658 + 0.4069637183 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.1625069461 + 0.0000000000 + 3.3196622404 + 21.8935260349 + -6.1183793672 + -33.5329820893 + 13.2384770704 + 78.3953022573 + -10.7514572314 + 0.7649148563 + 8.5365981994 + 8.5854205989 + 5.7174771649 + 4.6463877830 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0000000000 + 0.0079798996 + 0.0000000000 +3 6 GA_abinitio.thet.parm.3-6-free-maxlik-torv0 + -0.8117051305 + -0.5140669573 + 1.7398863478 + 3.3083278815 + 1.4513297375 + -1.9245701349 + -0.3467496455 + -0.6268138274 + -1.2874343817 + -1.2694522332 + -0.1736531646 + 1.2654659858 + -6.7195208651 + -15.3802623177 + 0.6543654308 + 12.0337088825 + -6.5354015552 + -20.1741752088 + 4.6231900221 + 3.8961212137 + 1.2125437701 + -0.2575459427 + 0.4699673783 + -0.5045010896 + 0.0352509670 + 0.0657655591 + -4.0989377715 + 4.3925844438 + 5.5519788914 + -4.6607160687 + -11.1688952430 + 3.1832858939 + -4.1862076346 + 3.0271021978 + 3.8397076682 + -0.8974453256 + -1.9920036134 + 3.9327405106 + 0.2662438723 + -0.1243630869 + -0.4274955915 + -1.0300683022 + -1.3821668157 + 0.4763095717 + 0.3725579148 + 0.1064428646 + -0.2322875937 + -0.6399124472 + -0.1899076395 + 1.9707068309 + 0.0507565562 + 0.0355044088 + -0.6714246809 + -0.5638987662 + 0.2192091435 + 0.6678341425 + 0.6575797964 + 1.3132549484 + -0.7278344638 + -0.9352895192 + -0.3546038272 + 0.8107044086 + 1.8261968651 + 2.5860401325 + -0.6326360721 + -1.1791024108 + 0.8315490041 + 1.4043602904 + -1.9227533371 + -3.2201141520 + 0.4350766122 + 0.2470565114 + -0.3255686150 + -0.8930163737 + -0.3402400419 + 2.4608824557 + 0.0379882190 + -0.0835000194 +3 6 GP_abinitio.thet.parm.3-6-free-maxlik-torv0 + -3.8412932782 + -8.9662404976 + 2.1578808840 + 8.0399394291 + -5.7908652630 + -11.2287326854 + 2.9019355728 + 1.3277015444 + -0.1932944270 + 0.0753491049 + 1.0291759969 + -0.4215587359 + -9.6442030548 + -22.1211275200 + 2.3517277945 + 16.8095332200 + -11.7387660157 + -23.3642003002 + 7.6721236063 + 5.9255350339 + 0.8627158111 + 0.0786200051 + 4.5614953672 + 1.7909243610 + -0.0934351108 + 0.0981837555 + -4.8465665733 + 6.8829508309 + 6.3472410690 + -6.3985269195 + -10.5710057066 + 6.6298769137 + -6.0985737305 + 3.4510176653 + 4.5074053665 + -0.8940982221 + -0.9411905649 + 6.5483215661 + -3.7068022068 + 4.6154211111 + 5.8687331137 + -5.5580999377 + -13.3548283757 + 3.3286020732 + -4.1739796294 + 2.1057293142 + 3.5821521038 + 0.7398457770 + 0.5153913597 + 4.9630030162 + 0.0660145423 + 0.0715407172 + 1.2271833343 + 0.7071027652 + -1.0513488517 + -2.3573206885 + 0.3429729637 + 4.4940101946 + -0.0068025219 + -1.1091055977 + 0.3311835208 + 1.1921855614 + -0.7850569573 + -0.5230224887 + -1.0297588489 + -0.4520921477 + 1.8936483479 + 2.7750037379 + -0.1918798005 + -3.3621606526 + -0.3444711144 + 0.7427180295 + 1.2691795496 + -0.5908097806 + -2.4894007719 + 1.2143404703 + 0.0361818220 + -0.0023211057 +3 6 AG_abinitio.thet.parm.3-6-free-maxlik-torv0 + 1.4988088027 + 1.1958615989 + -0.9365533542 + -2.6112816526 + -0.8810563681 + 2.2898262764 + -0.9030743552 + -2.7614926076 + -0.2820755590 + 1.8030293928 + -0.5088384456 + -1.0919826793 + -6.1309416325 + 2.0049404205 + 1.5747369909 + -1.4702181234 + 0.6223212858 + 0.1062048317 + 0.1068679377 + 8.6921306731 + -5.8071953639 + -7.3227386447 + 11.5476563927 + -5.6967950704 + -0.0221221637 + 0.3741725773 + -1.6385122968 + -3.0100138512 + 1.7258730283 + 1.6345393777 + -4.1845358437 + 1.6028179209 + 1.3898393599 + 1.4624505501 + 0.9863360891 + 0.1808458549 + 0.5014190957 + 0.4115705366 + 3.1258064859 + 8.5455994208 + 2.4809840964 + -1.5522094551 + 6.1667362586 + 5.4370554475 + -1.8279531329 + -0.5126317339 + -0.0878565876 + -0.3403669524 + -1.1222391632 + -1.0958652480 + 0.5154587174 + 0.2119567213 + 0.8688944766 + 0.5536105589 + -1.1133252602 + -3.7485653380 + -3.0449078210 + 1.6267834799 + -0.0148671745 + -1.0656968662 + -0.5275395017 + 0.2865691812 + 0.6888384607 + 2.4487828287 + 0.0841720508 + -2.7429975922 + 4.5115918398 + 2.8039261697 + -3.7564566713 + 3.6468127220 + 2.9415098864 + -0.8416405634 + -0.4896129043 + 0.7015584764 + -0.2446313310 + 0.1218662663 + 0.1535654469 + -1.8584429692 +3 6 AA_abinitio.thet.parm.3-6-free-maxlik-torv0 + -1.6145316391 + -12.4111250817 + -5.2976571830 + 7.0643989351 + 3.4082665664 + -6.6259906522 + 1.1377314188 + -6.5405616397 + -2.1660515802 + 6.0914484602 + 5.3481714036 + 1.9443365017 + -8.4952903853 + -7.2842720467 + 5.7726169158 + 9.7616355401 + -4.7471097109 + -10.6667680193 + 4.0373488593 + 12.5688992584 + 3.4005271086 + -3.2452435264 + 8.2321943264 + 9.6378364342 + 0.0540120806 + 0.0643085102 + -2.1905071361 + -1.7788897849 + 4.5377535316 + 6.6320187337 + -1.8553353814 + -8.6696506736 + -0.5070190989 + -0.1507281499 + 1.0081579857 + 2.0816259355 + 2.7257429981 + 2.6321895190 + -0.7369614053 + 4.7158961710 + 1.2261492856 + -3.4548905432 + 2.6805886453 + 12.5952192466 + -4.2406080102 + -0.6696907121 + 2.4010085434 + -0.0207646873 + -4.2093029672 + 1.7440847130 + 0.0747238844 + 0.0770979183 + -0.0204471396 + -3.0200028773 + -0.2616120362 + 1.2413887316 + -3.5575934627 + -3.7799732249 + 2.7403448921 + 1.1852334761 + -1.0811211016 + -0.5380925518 + 3.7982671140 + 5.6917389089 + -2.5532143856 + -1.6778625820 + 1.9996453664 + 2.5696255500 + -2.1256406332 + -2.7502272648 + -0.4857718700 + 1.1196996773 + 0.1040329303 + -1.2863395840 + 0.2091207128 + 4.9805586896 + 0.0773461731 + -0.1402384904 +3 6 AP_abinitio.thet.parm.3-6-free-maxlik-torv0 + 1.5871753215 + 1.6220047364 + -4.1161961071 + -2.3414758609 + 4.7517348879 + -2.4028394508 + -3.4006298843 + -3.3786011686 + 2.3337903157 + 2.1991837006 + -4.1054464875 + 1.9565870625 + -1.4033761758 + -4.7054159143 + 5.0735469981 + 5.7668183088 + -4.7585252786 + 3.3994768392 + 3.2112170969 + -0.2356243533 + -1.3933021386 + 0.3159690208 + 1.0969231108 + -0.8009672383 + 0.7644430506 + 0.8925546540 + -0.9239262864 + 0.7990165074 + 1.7519288290 + 0.9888442696 + -0.0939596565 + 0.0158216280 + -1.8582270303 + -0.4797518062 + 3.1998852449 + 4.7881515010 + 1.1354554653 + -2.7866925671 + 0.6087718287 + -0.4368831868 + -1.2513133204 + 0.3334327932 + 2.1804768944 + -0.1354805005 + 0.2504400494 + 0.0324039921 + 0.9721840167 + 0.3767939486 + -1.9544578117 + -0.6891931332 + 0.1320906150 + -0.2353797615 + 1.8842431456 + 0.2210363975 + -1.2733175378 + -3.0313549513 + -3.9539434530 + -1.5125432095 + -0.0232879349 + -3.0977296199 + -0.6390974360 + 2.4042262570 + 0.1086808289 + -1.3326088449 + 0.4213273429 + -0.4050427530 + 0.5888207203 + 0.9488214252 + -0.0637934952 + 0.7647500131 + -0.8124691577 + -2.1962057500 + 0.9365430482 + 1.2131133381 + -2.9820211914 + 1.1683816223 + 0.2673141001 + -1.1937477162 +3 6 PA_abinitio.thet.parm.3-6-free-maxlik-torv0 + 2.5574235412 + -5.4084847681 + -11.5634728598 + -5.0773293193 + 4.3758307512 + -2.6579287777 + -5.6552738152 + -13.7867377217 + 1.5830839888 + 10.4283843325 + -6.1273535450 + -4.8752526168 + -6.5996654613 + -17.7294947078 + -6.2208942920 + 3.7635679540 + -9.3324171812 + -12.0138754612 + 4.0996585369 + 0.9979260766 + -1.6677055565 + 4.4287128626 + 15.3248797851 + 11.8071153964 + 0.0866881618 + 0.0695196403 + -3.8030940723 + 2.2366336231 + 3.3120016278 + -1.3862938239 + -4.9593431021 + -0.1449406804 + -3.4064763055 + 3.4874455010 + 7.0909449179 + 8.4265018719 + 7.9873798077 + -1.3602728763 + 1.1441537502 + -1.9659785305 + 2.8011793652 + 4.7130408110 + -1.5186728394 + -2.5193377559 + -2.3507971997 + -8.7071397472 + 0.9081564803 + 8.6761321130 + 0.2887699714 + -3.0692725425 + 0.0503777483 + 0.1127507001 + -1.3037768162 + 0.7960690895 + 2.1201953650 + 1.3179821841 + -0.5894957240 + -1.1932829861 + -2.0851294530 + -1.6466883924 + -2.4890318289 + -6.0650511064 + -6.6876783186 + 7.5774546570 + 0.1040386626 + -0.8540696460 + -2.5740685375 + -2.1606239116 + 2.7910573976 + 8.5705202279 + 1.5224431540 + 2.9443626602 + 0.3188991188 + -5.5629938588 + -7.6749848596 + -1.0209235717 + 0.0453260952 + -0.0221520670 +3 6 PG_abinitio.thet.parm.3-6-free-maxlik-torv0 + 1.4676813034 + -0.4660709871 + -0.2687052580 + 0.4719634809 + -0.5896507232 + 0.2486085994 + -1.0434513877 + -3.1545089068 + 2.4584523816 + 2.5358169304 + -4.2926900157 + 1.9300881121 + 1.3731718879 + -1.2273658558 + 0.8571488834 + 0.2048941526 + -0.4479438902 + 0.5256509626 + -0.3788583028 + -3.4068767878 + 2.6411160397 + 2.3045190265 + -4.1570976396 + 2.1080804196 + 0.8051867736 + -1.0913762806 + 1.4845727075 + -3.0771949645 + 1.9615668438 + 3.5204909419 + -4.2547071285 + 2.2403300664 + 2.1537157460 + -1.0602731772 + 2.7154358366 + 1.8147614738 + -1.3916018248 + 2.1490052431 + -1.1219883659 + -1.5094797983 + 4.2267279842 + 2.6933554690 + -3.4794743547 + 3.5346269701 + 2.4249821645 + 1.8199670348 + -0.9081666015 + -0.9465023236 + 2.2023960540 + -1.3654712701 + 0.9147210312 + 0.7970658067 + 1.8842075466 + 2.6102166716 + 2.6006139830 + 1.8796717978 + 1.7739975439 + 0.7293083952 + 1.0209828592 + -0.0335568307 + -0.6176020970 + -0.0296524887 + 0.2692894807 + -0.7383510475 + -2.5109435053 + -2.4371367244 + -2.3009118693 + -1.5593968110 + -2.6947022141 + -3.0158483436 + -1.3757570918 + 0.6258367540 + 0.9037288744 + 0.3629691578 + -0.3790087144 + -0.8111096872 + 0.4133043035 + -0.3554277308 +3 6 PP_abinitio.thet.parm.3-6-free-maxlik-torv0 + 1.2911113296 + 3.9022170778 + -4.8722731734 + -1.9759865518 + 4.9072006251 + -2.5242303983 + -4.6749735094 + -0.2475890226 + 2.9883659715 + -1.5905909780 + -0.2629808267 + 0.7214114952 + 0.8481840659 + -2.1228053443 + -3.9816511949 + 2.3353552154 + -2.6638789725 + -1.5137963297 + -2.4110938859 + -3.5027748435 + 1.2462013335 + 1.7327029827 + -3.6667937617 + 1.3856993599 + 2.2097303674 + 1.3591247723 + -1.9968819671 + 2.1137444735 + -2.2121113472 + -1.8574908196 + 4.3908573306 + -1.4493846399 + 0.6310873174 + 7.6391548889 + 0.7597540469 + -2.1065359155 + 6.3556531185 + -0.4929127244 + 5.7515481754 + 9.2925250349 + 2.3459691815 + 0.4447135602 + 9.2476719340 + -0.8970015172 + -1.5842564300 + -2.5941926750 + 1.4717439072 + 1.5784569339 + -3.6570296585 + 2.2944107608 + 0.8904257794 + 0.8349796704 + 5.0096536288 + 3.3445240483 + -0.3385353064 + 0.2765197451 + 3.6511422254 + -3.5099498003 + 0.2247640546 + -3.9641404863 + 0.0016742692 + 1.4664631051 + -3.8587506183 + 1.4533475815 + 0.9330688020 + -0.3804055848 + -1.1973168927 + -2.5448302953 + -4.2469784113 + -2.5685417227 + 0.7573825414 + -0.2700658827 + 0.5479519395 + 0.9169919829 + -1.1635779148 + -1.4076021270 + 0.2308480465 + -0.3964574442 diff --git a/PARAM/GAP_new_abinitio.thet.parm b/PARAM/GAP_new_abinitio.thet.parm new file mode 100644 index 0000000..af6853a --- /dev/null +++ b/PARAM/GAP_new_abinitio.thet.parm @@ -0,0 +1,25 @@ +8 + -3.0119485426 + 0.3979798781 + 16.8175044510 + 15.1006457035 + -8.6505373685 + -7.6967175913 + 17.5522642667 +-13.5602193650 +8 + -2.6423862703 + 0.6870934590 + 16.3250096522 + 15.4190580319 + -6.6435066851 + -6.8694645488 + 16.5160308287 +-11.1748761160 +6 + 0.5776845960 + 0.9905366883 + 4.2505200346 + 7.9658404032 + 6.1751798355 + -3.7928388665 diff --git a/PARAM/Lip_tran_initial_ext.parm b/PARAM/Lip_tran_initial_ext.parm new file mode 100644 index 0000000..65acddb --- /dev/null +++ b/PARAM/Lip_tran_initial_ext.parm @@ -0,0 +1,25 @@ + 0.02 + -2.09251 + -1.67129 + -2.43220 + -2.44579 + -2.30991 + -1.65770 + -3.05723 + -1.30442 + -0.42122 + 0.00000 + -0.35328 + 0.05435 + 0.29893 + 0.81526 + 0.86961 + 1.04625 + -0.17664 + 1.37236 + 1.34518 + -0.97831 + -1.67129 + -2.43220 + -0.35328 + -0.35328 diff --git a/PARAM/Lip_tran_mod_ext.parm b/PARAM/Lip_tran_mod_ext.parm new file mode 100644 index 0000000..ba2970c --- /dev/null +++ b/PARAM/Lip_tran_mod_ext.parm @@ -0,0 +1,25 @@ + 0.02 + -3.09251 + -2.67129 + -3.43220 + -3.44579 + -3.30991 + -2.65770 + -4.05723 + -2.30442 + -1.42122 + -1.00000 + -1.35328 + -0.95 + -0.75 + -0.2 + -0.13 + 0.04625 + -1.17664 + 0.37236 + 0.34518 + -1.97831 + -2.67129 + -3.43220 + -1.35328 + -1.35328 diff --git a/PARAM/bond_AM1_ext_dum.parm b/PARAM/bond_AM1_ext_dum.parm new file mode 100644 index 0000000..cf2100e --- /dev/null +++ b/PARAM/bond_AM1_ext_dum.parm @@ -0,0 +1,26 @@ +1 3.800 1.900 41.7 0.000 43.0 14.33 2.5 ! peptide group and dummy atom +1 1.396 243.1 0.000 59.0 19.67 5.0 ! Cys +2 2.103 71.3 0.850 2.500 128.0 0.033 88.0 29.33 6.2 ! Met +1 2.997 124.6 0.000 104.0 34.67 6.8 ! Phe +2 1.645 260.7 0.857 1.908 312.6 .00010 70.0 23.33 6.2 ! Ile +2 1.782 638.3 2.360 2.086 160.4 0.409 70.0 23.33 6.3 ! Leu +1 1.488 294.4 0.000 56.0 18.67 5.8 ! Val +2 3.368 123.1 0.000 3.686 129.1 .00049 143.0 47.67 7.2 ! Trp +1 3.362 113.2 0.000 120.0 40.00 6.9 ! Tyr +1 0.778 353.0 0.000 28.0 9.33 4.6 ! Ala +0 14.0 0.00 3.8 ! Gly +1 1.480 295.8 0.000 58.0 19.33 5.6 ! Thr +1 1.311 269.6 0.000 44.0 14.67 4.8 ! Ser +3 2.125 147.9 2.125 2.424 138.9 .0333 2.776 383.8 0.000 85.0 28.33 6.1 ! Gln +1 2.008 161.4 0.000 71.0 23.67 5.7 ! Asn +3 2.093 131.2 1.943 2.425 146.5 .0263 2.784 479.3 0.784 85.0 28.33 6.1 ! Glu +1 2.030 160.2 0.000 71.0 23.67 5.6 ! Asp +1 2.739 134.5 0.000 95.0 31.67 6.2 ! His +3 2.644 48.8 1.707 3.433 34.8 .00123 4.080 899.9 1.175 114.0 38.00 6.8 ! Arg +3 2.379 99.0 1.974 2.704 157.5 0.546 3.073 164.7 0.055 86.0 28.67 6.3 ! Lys +1 1.422 605.2 0.000 71.0 23.67 5.6 ! Pro +2 2.142 71.3 0.850 2.500 128.0 0.033 135.0 45.00 6.2 ! SeMet +1 3.799 124.6 0.000 149.0 49.67 7.2 ! Dap(Bz) +1 0.743 353.00 0.000 42.0 14.00 4.7 ! Aib +1 1.210 353.00 0.000 42.0 14.00 5.6 ! Abu + diff --git a/PARAM/bond_ext_dum.parm b/PARAM/bond_ext_dum.parm new file mode 100644 index 0000000..2137b43 --- /dev/null +++ b/PARAM/bond_ext_dum.parm @@ -0,0 +1,25 @@ +3.800 1.900 500.00 43.0 14.33 5.0 ! peptide group and dummy +1.237 500.00 59.0 19.67 5.0 ! Cys +2.142 500.00 88.0 29.33 6.2 ! Met +2.299 500.00 104.0 34.67 6.8 ! Phe +1.776 500.00 70.0 23.33 6.2 ! Ile +1.939 500.00 70.0 23.33 6.3 ! Leu +1.410 500.00 56.0 18.67 5.8 ! Val +2.605 500.00 143.0 47.67 7.2 ! Trp +2.484 500.00 120.0 40.00 6.9 ! Tyr +0.743 500.00 28.0 9.33 4.6 ! Ala +0.000 500.00 14.0 0.00 3.8 ! Gly +1.393 500.00 58.0 19.33 5.6 ! Thr +1.150 500.00 44.0 14.67 4.8 ! Ser +2.240 500.00 85.0 28.33 6.1 ! Glu +1.684 500.00 71.0 23.67 5.7 ! Asn +2.254 500.00 85.0 28.33 6.1 ! Glu +1.709 500.00 71.0 23.67 5.6 ! Asp +2.113 500.00 95.0 31.67 6.2 ! His +3.020 500.00 114.0 38.00 6.8 ! Arg +2.541 500.00 86.0 28.67 6.3 ! Lys +1.345 500.00 71.0 23.67 5.6 ! Pro +2.142 500.00 135.0 45.00 6.2 ! SeMet +3.799 500.00 149.0 49.67 7.2 ! Dap(Bz) +0.743 500.00 42.0 14.00 4.7 ! Aib +1.210 500.00 42.0 14.00 5.6 ! 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b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 new file mode 100644 index 0000000..433e995 --- /dev/null +++ b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 @@ -0,0 +1,43 @@ + 3 # Number of local interaction types +Gly + 0.000000000000000 + 0.791965124028570 + 0.206068961118571 + 0.000000000000000 + 0.000000000000000 + 2.373462483972307 + -0.927962753087420 + 0.000000000000000 + 0.000000000000000 + 1.329421814829764 + -0.370576187607876 + 0.000000000000000 + 0.000000000000000 +Ala + 0.000000000000000 + 0.500261572719827 + -0.233786079150650 + -0.878020534542259 + 1.501220349138902 + -2.089734050079038 + 2.302365702770721 + -0.532502145482045 + -1.596421505165690 + 1.276301651241011 + 0.399942874780603 + -0.543778421330412 + 0.400478498916355 +Pro + 0.000000000000000 + -1.286480000000000 + 0.031808800000000 + -0.906628000000000 + 1.015390000000000 + -1.548870000000000 + 1.914370000000000 + 0.664143000000000 + -0.454839000000000 + -0.051291400000000 + 0.103179000000000 + 0.316367000000000 + 0.045277200000000 diff --git a/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new new file mode 100644 index 0000000..231618e --- /dev/null +++ b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new @@ -0,0 +1,71 @@ + 3 # Number of local interaction types +Gly + 0.000000000000000 + 0.791965124028570 + 0.206068961118571 + 0.000000000000000 + 0.000000000000000 + 2.373462483972307 + -0.927962753087420 + 0.000000000000000 + 0.000000000000000 + 1.329421814829764 + -0.370576187607876 + 0.000000000000000 + 0.000000000000000 + 1.000000000000000 + 0.500000000000000 + 0.500000000000000 + 1.000000000000000 + 1.000000000000000 + 1.500000000000000 + 1.500000000000000 + 2.000000000000000 + 2.000000000000000 +Ala + 0.000000000000000 + 0.500261572719827 + -0.233786079150650 + -0.878020534542259 + 1.501220349138902 + -2.089734050079038 + 2.302365702770721 + -0.532502145482045 + -1.596421505165690 + 1.276301651241011 + 0.399942874780603 + -0.543778421330412 + 0.400478498916355 + 1.000000000000000 + 0.500000000000000 + 0.500000000000000 + 1.000000000000000 + 1.000000000000000 + 1.500000000000000 + 1.500000000000000 + 2.000000000000000 + 2.000000000000000 +Pro + 0.000000000000000 + -1.286480000000000 + 0.031808800000000 + -0.906628000000000 + 1.015390000000000 + -1.548870000000000 + 1.914370000000000 + 0.664143000000000 + -0.454839000000000 + -0.051291400000000 + 0.103179000000000 + 0.316367000000000 + 0.045277200000000 + 1.000000000000000 + 0.500000000000000 + 0.500000000000000 + 1.000000000000000 + 1.000000000000000 + 1.500000000000000 + 1.500000000000000 + 2.000000000000000 + 2.000000000000000 + diff --git a/PARAM/fourier_opt_iter0_7prot-eps.parm b/PARAM/fourier_opt_iter0_7prot-eps.parm new file mode 100644 index 0000000..469881e --- /dev/null +++ b/PARAM/fourier_opt_iter0_7prot-eps.parm @@ -0,0 +1,43 @@ + 3 # Number of local interaction types +GLY + 0.000000000000000 + 0.292273916587998 + 0.216221204139835 + 0.000000000000000 + 0.000000000000000 + 2.373462483972307 + -0.927962753087420 + 0.000000000000000 + 0.000000000000000 + 1.365321421895682 + -0.409536564749270 + 0.000000000000000 + 0.000000000000000 +CYS + 0.000000000000000 + 0.250084847353610 + -0.186158505094081 + -0.504688747570979 + 1.218679171649523 + -2.089734050079038 + 2.302365702770721 + -0.532502145482045 + -1.596421505165690 + 1.270543992159271 + 0.174687212656861 + -0.599374829819892 + 0.222101519622321 +PRO + 0.000000000000000 + -0.787986560945931 + -0.345208426278326 + -1.111524460354935 + 0.530324242079397 + -1.548870000000000 + 1.914370000000000 + 0.664143000000000 + -0.454839000000000 + 0.448705912966141 + 0.346799067155216 + 0.311804899416344 + 0.230482726984751 diff --git a/PARAM/fourier_opt_iter0_7prot-eps_ext.parm b/PARAM/fourier_opt_iter0_7prot-eps_ext.parm new file mode 120000 index 0000000..f8c9195 --- /dev/null +++ b/PARAM/fourier_opt_iter0_7prot-eps_ext.parm @@ -0,0 +1 @@ +fourier_opt_iter0_7prot-eps.parm \ No newline at end of file diff --git a/PARAM/fourier_opt_iter1_7p_old-ext.parm b/PARAM/fourier_opt_iter1_7p_old-ext.parm new file mode 100644 index 0000000..9d56cf7 --- /dev/null +++ b/PARAM/fourier_opt_iter1_7p_old-ext.parm @@ -0,0 +1,43 @@ + 3 # Number of local interaction types +GLY + 0.000000000000000 + 0.070239791890956 + 0.154774586038994 + 0.000000000000000 + 0.000000000000000 + 2.373462483972307 + -0.927962753087420 + 0.000000000000000 + 0.000000000000000 + 1.207111166017071 + -0.423426658629534 + 0.000000000000000 + 0.000000000000000 +CYS + 0.000000000000000 + 0.162605930883984 + -0.155038583599996 + -0.379179599804111 + 0.877343784713785 + -2.089734050079038 + 2.302365702770721 + -0.532502145482045 + -1.596421505165690 + 1.103073588017826 + 0.135309538862199 + -0.531934805398088 + 0.190122600663365 +PRO + 0.000000000000000 + -0.289717618286122 + -0.528390668944120 + -1.238980747749160 + 0.734554995107759 + -1.548870000000000 + 1.914370000000000 + 0.664143000000000 + -0.454839000000000 + 0.518449425013450 + 0.467837713174136 + 0.027294575400355 + 0.173636570360447 diff --git a/PARAM/fourier_opt_iter1_7p_old.parm b/PARAM/fourier_opt_iter1_7p_old.parm new file mode 100644 index 0000000..9d56cf7 --- /dev/null +++ b/PARAM/fourier_opt_iter1_7p_old.parm @@ -0,0 +1,43 @@ + 3 # Number of local interaction types +GLY + 0.000000000000000 + 0.070239791890956 + 0.154774586038994 + 0.000000000000000 + 0.000000000000000 + 2.373462483972307 + -0.927962753087420 + 0.000000000000000 + 0.000000000000000 + 1.207111166017071 + -0.423426658629534 + 0.000000000000000 + 0.000000000000000 +CYS + 0.000000000000000 + 0.162605930883984 + -0.155038583599996 + -0.379179599804111 + 0.877343784713785 + -2.089734050079038 + 2.302365702770721 + -0.532502145482045 + -1.596421505165690 + 1.103073588017826 + 0.135309538862199 + -0.531934805398088 + 0.190122600663365 +PRO + 0.000000000000000 + -0.289717618286122 + -0.528390668944120 + -1.238980747749160 + 0.734554995107759 + -1.548870000000000 + 1.914370000000000 + 0.664143000000000 + -0.454839000000000 + 0.518449425013450 + 0.467837713174136 + 0.027294575400355 + 0.173636570360447 diff --git a/PARAM/rotamers_AM1_aura_ext.10022007.parm b/PARAM/rotamers_AM1_aura_ext.10022007.parm new file mode 100644 index 0000000..cadca80 --- /dev/null +++ b/PARAM/rotamers_AM1_aura_ext.10022007.parm @@ -0,0 +1,1520 @@ +cys +2.516050 +1.519290 +-0.549712 +-1.031160 +1.143970 +2.488560 +-1.092110 +2.234960 +-0.755595 +1.289450 +1.853910 +4.001970 +-0.082907 +0.826224 +1.632090 +0.593940 +-0.364204 +-1.171220 +1.667710 +-1.599100 +-2.976120 +-2.507130 +1.072030 +-0.956779 +-2.533370 +-1.691250 +1.266100 +-0.870809 +1.513010 +2.242270 +-1.570990 +0.964612 +0.482876 +0.654966 +1.063640 +0.999274 +-2.492650 +-1.951980 +-0.535164 +-0.771304 +-2.293140 +-2.335450 +-0.858895 +-0.116272 +-1.427930 +-1.834970 +0.975263 +-0.416979 +-1.447500 +0.127525 +-0.663205 +-1.101400 +0.162302 +-0.060514 +0.180357 +-1.109550 +-0.456202 +-0.571306 +0.314586 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+ 1 -4.43901E-01 4.61468E-01 + 2 -2.41169E-01 -1.58233E-01 + 3 -2.36848E-03 -1.19346E-01 + 4 -6.11572E-02 -6.37633E-03 +4 0 *********** SCCC-phe-his + 1 -4.75995E-01 4.33527E-01 + 2 -2.35847E-01 -1.59983E-01 + 3 -5.89940E-03 -1.10557E-01 + 4 -4.73175E-02 -7.16909E-03 +4 0 *********** SCCC-phe-arg + 1 -3.59730E-01 2.67583E-01 + 2 -1.52185E-01 -2.40627E-02 + 3 -8.10757E-02 -8.94407E-02 + 4 -2.49723E-02 -4.03733E-02 +4 0 *********** SCCC-phe-lys + 1 -3.46674E-01 2.28404E-01 + 2 -1.39061E-01 -1.64743E-03 + 3 -9.34945E-02 -8.62849E-02 + 4 -1.92633E-02 -4.11896E-02 +4 0 *********** SCCC-phe-pro + 1 -6.17241E-01 4.52603E-01 + 2 -1.85757E-01 -3.00525E-01 + 3 7.35871E-02 -1.20146E-01 + 4 -4.20338E-02 -8.11095E-02 +4 0 *********** SCCC-ile-cys + 1 -6.04603E-01 6.22953E-01 + 2 -1.07202E-01 -9.11979E-02 + 3 1.80581E-01 -5.32300E-02 + 4 -5.33906E-02 2.69991E-02 +4 0 *********** SCCC-ile-met + 1 -4.98356E-01 4.32072E-01 + 2 -8.68054E-03 -1.44039E-02 + 3 9.97463E-02 -3.66053E-02 + 4 -2.99125E-02 -1.76010E-03 +4 0 *********** SCCC-ile-phe + 1 -5.36203E-01 4.14006E-01 + 2 -8.15075E-03 -1.25844E-02 + 3 1.12158E-01 -3.54614E-02 + 4 -3.86935E-02 -3.72408E-03 +4 0 *********** SCCC-ile-ile + 1 -4.98343E-01 5.32806E-01 + 2 -4.01467E-02 -3.69391E-02 + 3 1.01120E-01 -5.31072E-02 + 4 -2.39305E-02 1.25986E-02 +4 0 *********** SCCC-ile-leu + 1 -4.98957E-01 3.77555E-01 + 2 1.41813E-02 5.96541E-03 + 3 9.45394E-02 -4.12774E-02 + 4 -3.13142E-02 -1.96469E-03 +4 0 *********** SCCC-ile-val + 1 -4.92613E-01 4.72043E-01 + 2 -1.58054E-02 -2.05223E-02 + 3 9.47257E-02 -4.57798E-02 + 4 -2.58082E-02 6.16207E-03 +4 0 *********** SCCC-ile-trp + 1 -5.40919E-01 4.71089E-01 + 2 -3.11140E-02 -3.60351E-02 + 3 1.19081E-01 -3.23843E-02 + 4 -3.76778E-02 -8.72224E-04 +4 0 *********** SCCC-ile-tyr + 1 -5.31300E-01 4.14938E-01 + 2 -7.95744E-03 -1.20449E-02 + 3 1.10947E-01 -3.60107E-02 + 4 -3.79362E-02 -3.40210E-03 +4 0 *********** SCCC-ile-ala + 1 -4.53534E-01 3.02214E-01 + 2 3.54264E-02 2.04753E-02 + 3 8.37150E-02 -3.51964E-02 + 4 -2.54678E-02 -6.69398E-03 +4 0 *********** SCCC-ile-gly + 1 8.95801E-01 4.66810E-01 + 2 2.18402E-01 6.07274E-02 + 3 2.19337E-01 1.09960E-01 + 4 4.59913E-02 9.51908E-02 +4 0 *********** SCCC-ile-thr + 1 -4.97030E-01 4.69824E-01 + 2 -4.67561E-02 -4.01289E-02 + 3 1.16124E-01 -2.32173E-02 + 4 -3.33238E-02 -6.74730E-04 +4 0 *********** SCCC-ile-ser + 1 -6.82521E-01 7.46737E-01 + 2 -1.66838E-01 -1.58009E-01 + 3 2.50198E-01 -7.33204E-02 + 4 -7.21986E-02 7.43273E-02 +4 0 *********** SCCC-ile-gln + 1 -5.25896E-01 5.61891E-01 + 2 -7.20761E-02 -6.01625E-02 + 3 1.32414E-01 -4.25460E-02 + 4 -3.51978E-02 8.25566E-03 +4 0 *********** SCCC-ile-asn + 1 -6.07023E-01 6.64836E-01 + 2 -1.42383E-01 -1.14830E-01 + 3 2.05263E-01 -5.70534E-02 + 4 -5.57412E-02 4.15312E-02 +4 0 *********** SCCC-ile-glu + 1 -5.54083E-01 5.82928E-01 + 2 -7.96853E-02 -6.47652E-02 + 3 1.44558E-01 -5.23117E-02 + 4 -3.98567E-02 1.57250E-02 +4 0 *********** SCCC-ile-asp + 1 -5.50756E-01 6.98214E-01 + 2 -1.58363E-01 -1.20098E-01 + 3 1.94070E-01 -5.54957E-02 + 4 -4.63837E-02 3.30493E-02 +4 0 *********** SCCC-ile-his + 1 -6.22802E-01 6.58897E-01 + 2 -1.17083E-01 -1.10923E-01 + 3 1.87541E-01 -5.44786E-02 + 4 -5.27283E-02 3.60895E-02 +4 0 *********** SCCC-ile-arg + 1 -4.68316E-01 4.20180E-01 + 2 -1.60693E-03 -1.14180E-02 + 3 9.02561E-02 -3.53904E-02 + 4 -2.60790E-02 -1.83804E-03 +4 0 *********** SCCC-ile-lys + 1 -4.60625E-01 3.66307E-01 + 2 2.28230E-02 6.88499E-03 + 3 8.09885E-02 -3.86622E-02 + 4 -2.37433E-02 -8.00729E-04 +4 0 *********** SCCC-ile-pro + 1 -9.11814E-01 7.56200E-01 + 2 -1.68031E-01 -3.15787E-01 + 3 3.77243E-01 6.35252E-02 + 4 -1.52893E-01 6.08670E-02 +4 0 *********** SCCC-leu-cys + 1 -5.92878E-01 2.63423E-01 + 2 -4.46107E-01 1.45946E-02 + 3 8.85691E-02 1.25335E-01 + 4 3.46958E-03 -3.44148E-02 +4 0 *********** SCCC-leu-met + 1 -5.04044E-01 1.18074E-01 + 2 -2.75735E-01 1.37015E-01 + 3 1.80417E-02 1.20871E-01 + 4 -1.96858E-02 -6.73149E-02 +4 0 *********** SCCC-leu-phe + 1 -5.23790E-01 7.82255E-02 + 2 -3.03285E-01 1.12738E-01 + 3 2.60212E-02 1.47188E-01 + 4 -9.12905E-03 -6.95404E-02 +4 0 *********** SCCC-leu-ile + 1 -5.22824E-01 2.10748E-01 + 2 -3.07049E-01 1.41478E-01 + 3 4.78934E-02 8.75128E-02 + 4 -2.40663E-02 -6.14111E-02 +4 0 *********** SCCC-leu-leu + 1 -4.96301E-01 5.48648E-02 + 2 -2.65529E-01 1.68077E-01 + 3 2.10832E-02 1.38336E-01 + 4 -1.97833E-02 -7.72021E-02 +4 0 *********** SCCC-leu-val + 1 -5.09257E-01 1.53623E-01 + 2 -2.82467E-01 1.55153E-01 + 3 3.36493E-02 1.03923E-01 + 4 -2.47317E-02 -6.84244E-02 +4 0 *********** SCCC-leu-trp + 1 -5.36915E-01 1.41614E-01 + 2 -3.16123E-01 8.21513E-02 + 3 3.10676E-02 1.28035E-01 + 4 -1.05901E-02 -5.87549E-02 +4 0 *********** SCCC-leu-tyr + 1 -5.20832E-01 8.15940E-02 + 2 -3.00203E-01 1.16652E-01 + 3 2.49572E-02 1.45017E-01 + 4 -1.03220E-02 -6.96037E-02 +4 0 *********** SCCC-leu-ala + 1 -4.53690E-01 1.60448E-02 + 2 -2.01402E-01 1.80136E-01 + 3 -6.40669E-03 1.38012E-01 + 4 -2.27126E-02 -6.80365E-02 +4 0 *********** SCCC-leu-gly + 1 5.13032E-01 5.43657E-01 + 2 4.85228E-01 -2.44057E-01 + 3 6.72842E-02 1.86750E-01 + 4 -1.00748E-02 -3.90944E-02 +4 0 *********** SCCC-leu-thr + 1 -5.11060E-01 1.84664E-01 + 2 -2.91864E-01 4.05042E-02 + 3 5.02939E-03 1.09568E-01 + 4 -5.49041E-03 -4.27811E-02 +4 0 *********** SCCC-leu-ser + 1 -6.55966E-01 3.49434E-01 + 2 -5.56569E-01 -4.24392E-02 + 3 1.67513E-01 1.18900E-01 + 4 1.08718E-02 3.65601E-03 +4 0 *********** SCCC-leu-gln + 1 -5.39982E-01 2.45285E-01 + 2 -3.44086E-01 6.50880E-02 + 3 4.03263E-02 1.00921E-01 + 4 -1.28837E-02 -4.48029E-02 +4 0 *********** SCCC-leu-asn + 1 -6.07636E-01 3.30162E-01 + 2 -4.72874E-01 -5.25555E-02 + 3 1.03963E-01 1.19980E-01 + 4 5.25450E-03 -4.88500E-03 +4 0 *********** SCCC-leu-glu + 1 -5.58718E-01 2.42544E-01 + 2 -3.81869E-01 6.88831E-02 + 3 6.30436E-02 1.09829E-01 + 4 -9.56560E-03 -4.83048E-02 +4 0 *********** SCCC-leu-asp + 1 -5.76809E-01 3.97867E-01 + 2 -4.25845E-01 -4.30068E-02 + 3 7.14207E-02 8.60899E-02 + 4 -5.73144E-03 1.54473E-03 +4 0 *********** SCCC-leu-his + 1 -6.10042E-01 2.93401E-01 + 2 -4.60094E-01 7.29031E-03 + 3 1.05630E-01 1.06369E-01 + 4 2.94319E-03 -2.77707E-02 +4 0 *********** SCCC-leu-arg + 1 -4.84492E-01 1.24026E-01 + 2 -2.41674E-01 1.50040E-01 + 3 7.75272E-03 1.12210E-01 + 4 -2.47593E-02 -6.27088E-02 +4 0 *********** SCCC-leu-lys + 1 -4.71699E-01 6.92459E-02 + 2 -2.22373E-01 1.85162E-01 + 3 8.73867E-03 1.19745E-01 + 4 -2.71969E-02 -7.09850E-02 +4 0 *********** SCCC-leu-pro + 1 -7.44731E-01 2.85611E-01 + 2 -5.87121E-01 -2.89125E-01 + 3 1.11616E-01 2.21559E-01 + 4 -2.15154E-02 3.19252E-02 +4 0 *********** SCCC-val-cys + 1 -6.37671E-01 4.29531E-01 + 2 -3.54652E-01 -9.45011E-02 + 3 1.30803E-01 5.39195E-02 + 4 1.68066E-02 -5.89187E-03 +4 0 *********** SCCC-val-met + 1 -5.19785E-01 2.30211E-01 + 2 -2.02858E-01 5.02491E-02 + 3 3.89614E-02 5.37683E-02 + 4 1.11168E-02 -3.69718E-02 +4 0 *********** SCCC-val-phe + 1 -5.44730E-01 2.00795E-01 + 2 -2.15635E-01 3.21726E-02 + 3 4.76527E-02 7.31636E-02 + 4 1.53060E-02 -4.12280E-02 +4 0 *********** SCCC-val-ile + 1 -5.37729E-01 3.36320E-01 + 2 -2.39123E-01 3.72545E-02 + 3 6.13247E-02 2.26126E-02 + 4 6.42153E-03 -2.79011E-02 +4 0 *********** SCCC-val-leu + 1 -5.08982E-01 1.69477E-01 + 2 -1.85919E-01 8.01706E-02 + 3 3.52565E-02 6.27795E-02 + 4 1.04221E-02 -4.18706E-02 +4 0 *********** SCCC-val-val + 1 -5.22276E-01 2.71776E-01 + 2 -2.11599E-01 5.73754E-02 + 3 4.72046E-02 3.69249E-02 + 4 6.29363E-03 -3.41850E-02 +4 0 *********** SCCC-val-trp + 1 -5.61184E-01 2.64153E-01 + 2 -2.34313E-01 -3.03607E-04 + 3 5.74963E-02 6.30770E-02 + 4 1.37481E-02 -3.39654E-02 +4 0 *********** SCCC-val-tyr + 1 -5.41140E-01 2.02967E-01 + 2 -2.14128E-01 3.53404E-02 + 3 4.65146E-02 7.12986E-02 + 4 1.48945E-02 -4.10807E-02 +4 0 *********** SCCC-val-ala + 1 -4.63528E-01 1.08009E-01 + 2 -1.37427E-01 1.04421E-01 + 3 1.47077E-02 6.60091E-02 + 4 1.01403E-02 -3.82779E-02 +4 0 *********** SCCC-val-gly + 1 7.80222E-01 5.62809E-01 + 2 4.98015E-01 -5.06927E-02 + 3 1.96403E-01 1.85531E-01 + 4 5.49617E-02 3.22318E-02 +4 0 *********** SCCC-val-thr + 1 -5.36024E-01 2.87204E-01 + 2 -2.23081E-01 -2.57248E-02 + 3 4.58625E-02 5.62526E-02 + 4 1.49919E-02 -2.83341E-02 +4 0 *********** SCCC-val-ser + 1 -7.36521E-01 5.92936E-01 + 2 -4.71167E-01 -2.09715E-01 + 3 2.46981E-01 3.63319E-02 + 4 2.49886E-03 7.07794E-02 +4 0 *********** SCCC-val-gln + 1 -5.67291E-01 3.71453E-01 + 2 -2.74806E-01 -2.75425E-02 + 3 7.39046E-02 4.04525E-02 + 4 1.46551E-02 -2.27218E-02 +4 0 *********** SCCC-val-asn + 1 -6.64590E-01 5.01935E-01 + 2 -3.89259E-01 -1.62453E-01 + 3 1.66000E-01 5.45842E-02 + 4 9.89117E-03 2.04990E-02 +4 0 *********** SCCC-val-glu + 1 -5.89071E-01 3.85900E-01 + 2 -3.02715E-01 -3.38776E-02 + 3 9.27025E-02 4.14834E-02 + 4 1.51151E-02 -2.06967E-02 +4 0 *********** SCCC-val-asp + 1 -6.27245E-01 5.48540E-01 + 2 -3.72164E-01 -1.46947E-01 + 3 1.39515E-01 2.80768E-02 + 4 1.64719E-02 1.88088E-02 +4 0 *********** SCCC-val-his + 1 -6.59237E-01 4.70083E-01 + 2 -3.71977E-01 -1.13978E-01 + 3 1.50304E-01 3.90954E-02 + 4 1.44891E-02 8.97853E-03 +4 0 *********** SCCC-val-arg + 1 -4.97016E-01 2.25840E-01 + 2 -1.78561E-01 6.55208E-02 + 3 2.88421E-02 4.79617E-02 + 4 7.81065E-03 -3.59868E-02 +4 0 *********** SCCC-val-lys + 1 -4.80377E-01 1.69852E-01 + 2 -1.56685E-01 9.80185E-02 + 3 2.38504E-02 5.07570E-02 + 4 5.44637E-03 -3.75260E-02 +4 0 *********** SCCC-val-pro + 1 -9.65053E-01 6.96480E-01 + 2 -4.20317E-01 -5.55247E-01 + 3 3.34534E-01 1.03603E-01 + 4 -1.90510E-01 1.26764E-01 +4 0 *********** SCCC-trp-cys + 1 -2.78524E-01 4.85646E-01 + 2 6.41275E-02 -2.16323E-01 + 3 3.18075E-02 -2.93624E-02 + 4 -2.22648E-02 7.05087E-03 +4 0 *********** SCCC-trp-met + 1 -2.30591E-01 4.06685E-01 + 2 3.77207E-02 -1.78384E-01 + 3 1.43886E-02 -4.18351E-02 + 4 -1.23092E-02 4.18442E-03 +4 0 *********** SCCC-trp-phe + 1 -2.60440E-01 4.03440E-01 + 2 5.68400E-02 -1.80060E-01 + 3 1.15195E-02 -3.96156E-02 + 4 -1.25504E-02 3.13314E-03 +4 0 *********** SCCC-trp-ile + 1 -2.16552E-01 4.53965E-01 + 2 2.09254E-02 -1.95954E-01 + 3 2.14445E-02 -3.54838E-02 + 4 -1.43223E-02 6.53411E-03 +4 0 *********** SCCC-trp-leu + 1 -2.39189E-01 3.84951E-01 + 2 4.15813E-02 -1.76380E-01 + 3 6.21918E-03 -4.42101E-02 + 4 -1.02856E-02 3.23994E-03 +4 0 *********** SCCC-trp-val + 1 -2.20970E-01 4.27583E-01 + 2 2.66601E-02 -1.87827E-01 + 3 1.61804E-02 -3.85142E-02 + 4 -1.25531E-02 4.99406E-03 +4 0 *********** SCCC-trp-trp + 1 -2.54225E-01 4.25270E-01 + 2 5.31925E-02 -1.83758E-01 + 3 1.94121E-02 -3.58574E-02 + 4 -1.48848E-02 3.88371E-03 +4 0 *********** SCCC-trp-tyr + 1 -2.56868E-01 4.03337E-01 + 2 5.45916E-02 -1.79887E-01 + 3 1.15892E-02 -4.02659E-02 + 4 -1.24425E-02 3.36618E-03 +4 0 *********** SCCC-trp-ala + 1 -2.17129E-01 3.33640E-01 + 2 3.23038E-02 -1.51703E-01 + 3 -1.01237E-03 -5.25382E-02 + 4 -6.86667E-03 2.97654E-03 +4 0 *********** SCCC-trp-gly + 1 5.94221E-01 1.67050E-01 + 2 6.49413E-02 2.51562E-01 + 3 4.24071E-02 2.99356E-02 + 4 7.25430E-04 2.69304E-02 +4 0 *********** SCCC-trp-thr + 1 -2.22689E-01 4.05291E-01 + 2 4.89623E-02 -1.57996E-01 + 3 2.17295E-02 -4.04462E-02 + 4 -1.10784E-02 5.11588E-03 +4 0 *********** SCCC-trp-ser + 1 -3.09857E-01 5.25488E-01 + 2 7.36706E-02 -2.46687E-01 + 3 4.02618E-02 -1.84896E-02 + 4 -2.98467E-02 7.31333E-03 +4 0 *********** SCCC-trp-gln + 1 -2.30145E-01 4.56534E-01 + 2 3.82070E-02 -1.90604E-01 + 3 2.79157E-02 -3.82039E-02 + 4 -1.71306E-02 7.82471E-03 +4 0 *********** SCCC-trp-asn + 1 -2.69658E-01 4.83847E-01 + 2 6.85080E-02 -2.04815E-01 + 3 3.21313E-02 -3.18899E-02 + 4 -2.04228E-02 7.53084E-03 +4 0 *********** SCCC-trp-glu + 1 -2.49321E-01 4.72181E-01 + 2 4.47376E-02 -2.05998E-01 + 3 2.81910E-02 -3.45353E-02 + 4 -1.92147E-02 7.74112E-03 +4 0 *********** SCCC-trp-asp + 1 -2.19803E-01 4.83941E-01 + 2 3.98107E-02 -1.88327E-01 + 3 3.78892E-02 -4.46591E-02 + 4 -1.94208E-02 1.40890E-02 +4 0 *********** SCCC-trp-his + 1 -2.83887E-01 5.00226E-01 + 2 6.19914E-02 -2.25158E-01 + 3 3.72174E-02 -2.30486E-02 + 4 -2.49218E-02 6.60551E-03 +4 0 *********** SCCC-trp-arg + 1 -2.09871E-01 3.95271E-01 + 2 2.57150E-02 -1.69532E-01 + 3 1.21004E-02 -4.50086E-02 + 4 -1.03571E-02 4.93005E-03 +4 0 *********** SCCC-trp-lys + 1 -2.12544E-01 3.71164E-01 + 2 2.58459E-02 -1.66757E-01 + 3 5.22659E-03 -4.62493E-02 + 4 -8.27350E-03 3.41783E-03 +4 0 *********** SCCC-trp-pro + 1 -4.42199E-01 5.02993E-01 + 2 1.65099E-01 -2.50806E-01 + 3 5.62381E-02 -9.12310E-03 + 4 -3.65576E-02 2.98371E-03 +4 0 *********** SCCC-tyr-cys + 1 -4.45048E-01 3.51850E-01 + 2 -1.56000E-01 -2.07395E-01 + 3 4.54257E-02 -1.13902E-01 + 4 -2.94059E-02 1.01806E-02 +4 0 *********** SCCC-tyr-met + 1 -3.59076E-01 2.42112E-01 + 2 -1.24780E-01 -1.04515E-01 + 3 -7.86907E-03 -1.11506E-01 + 4 -4.63654E-03 -1.08826E-02 +4 0 *********** SCCC-tyr-phe + 1 -3.77667E-01 2.25542E-01 + 2 -1.12647E-01 -1.16054E-01 + 3 -5.00073E-03 -1.11364E-01 + 4 -1.03726E-02 -1.09456E-02 +4 0 *********** SCCC-tyr-ile + 1 -3.72246E-01 3.08265E-01 + 2 -1.52206E-01 -1.24337E-01 + 3 -4.21208E-04 -1.07332E-01 + 4 -2.98009E-03 -1.72568E-03 +4 0 *********** SCCC-tyr-leu + 1 -3.48424E-01 2.08197E-01 + 2 -1.17477E-01 -8.54272E-02 + 3 -2.08894E-02 -1.14484E-01 + 4 -2.97589E-03 -1.22439E-02 +4 0 *********** SCCC-tyr-val + 1 -3.60127E-01 2.70511E-01 + 2 -1.38881E-01 -1.07027E-01 + 3 -9.07811E-03 -1.09077E-01 + 4 -1.42119E-03 -6.39666E-03 +4 0 *********** SCCC-tyr-trp + 1 -3.90987E-01 2.59420E-01 + 2 -1.19812E-01 -1.36990E-01 + 3 8.92199E-03 -1.06309E-01 + 4 -1.31699E-02 -8.39469E-03 +4 0 *********** SCCC-tyr-tyr + 1 -3.74966E-01 2.26930E-01 + 2 -1.14291E-01 -1.14163E-01 + 3 -5.85492E-03 -1.11965E-01 + 4 -9.72865E-03 -1.08598E-02 +4 0 *********** SCCC-tyr-ala + 1 -3.12234E-01 1.57801E-01 + 2 -1.01142E-01 -5.08100E-02 + 3 -3.20892E-02 -1.13819E-01 + 4 -3.03066E-04 -1.71860E-02 +4 0 *********** SCCC-tyr-gly + 1 5.21249E-01 3.73505E-01 + 2 2.77449E-01 1.38874E-01 + 3 1.28523E-01 -1.16458E-02 + 4 2.12469E-02 4.66123E-02 +4 0 *********** SCCC-tyr-thr + 1 -3.74902E-01 2.58212E-01 + 2 -1.11953E-01 -1.38220E-01 + 3 1.84392E-02 -1.01615E-01 + 4 -1.27215E-02 -6.08377E-03 +4 0 *********** SCCC-tyr-ser + 1 -4.90127E-01 4.11518E-01 + 2 -1.80164E-01 -2.59300E-01 + 3 7.59210E-02 -1.14620E-01 + 4 -4.35756E-02 2.91465E-02 +4 0 *********** SCCC-tyr-gln + 1 -3.96272E-01 3.19344E-01 + 2 -1.46228E-01 -1.57896E-01 + 3 2.24448E-02 -1.10761E-01 + 4 -1.60657E-02 -1.82447E-03 +4 0 *********** SCCC-tyr-asn + 1 -4.55058E-01 3.69713E-01 + 2 -1.55377E-01 -2.29677E-01 + 3 6.06865E-02 -1.10740E-01 + 4 -3.66774E-02 1.57932E-02 +4 0 *********** SCCC-tyr-glu + 1 -4.11987E-01 3.32970E-01 + 2 -1.54730E-01 -1.70628E-01 + 3 2.47803E-02 -1.14047E-01 + 4 -1.83778E-02 2.69377E-03 +4 0 *********** SCCC-tyr-asp + 1 -4.27679E-01 3.89628E-01 + 2 -1.67273E-01 -2.13504E-01 + 3 5.99795E-02 -1.17236E-01 + 4 -3.51338E-02 1.27111E-02 +4 0 *********** SCCC-tyr-his + 1 -4.57549E-01 3.69384E-01 + 2 -1.61130E-01 -2.19712E-01 + 3 5.49814E-02 -1.08614E-01 + 4 -3.01313E-02 1.46920E-02 +4 0 *********** SCCC-tyr-arg + 1 -3.40333E-01 2.35484E-01 + 2 -1.23496E-01 -8.78982E-02 + 3 -1.48072E-02 -1.09426E-01 + 4 -2.20178E-03 -1.20122E-02 +4 0 *********** SCCC-tyr-lys + 1 -3.25541E-01 2.02599E-01 + 2 -1.17571E-01 -6.65914E-02 + 3 -2.65377E-02 -1.10293E-01 + 4 2.04292E-03 -1.28717E-02 +4 0 *********** SCCC-tyr-pro + 1 -5.63016E-01 3.51117E-01 + 2 -8.02641E-02 -3.73003E-01 + 3 1.39426E-01 -1.23307E-01 + 4 -8.75532E-02 -7.51550E-02 +4 0 *********** SCCC-ala-cys + 1 -3.77726E-01 5.98890E-01 + 2 -2.97365E-01 1.52563E-01 + 3 2.45306E-01 9.87104E-02 + 4 -3.32744E-02 -4.90398E-03 +4 0 *********** SCCC-ala-met + 1 -3.37099E-01 4.08982E-01 + 2 -1.14201E-01 1.59266E-01 + 3 2.01176E-01 1.30610E-01 + 4 -4.51059E-02 1.97629E-03 +4 0 *********** SCCC-ala-phe + 1 -3.77173E-01 3.94631E-01 + 2 -1.44796E-01 1.47119E-01 + 3 2.25901E-01 1.43875E-01 + 4 -4.94759E-02 -8.09483E-03 +4 0 *********** SCCC-ala-ile + 1 -3.08743E-01 5.00302E-01 + 2 -1.42373E-01 1.83090E-01 + 3 1.90801E-01 8.07317E-02 + 4 -3.96607E-02 1.15764E-02 +4 0 *********** SCCC-ala-leu + 1 -3.52027E-01 3.52741E-01 + 2 -9.00989E-02 1.67136E-01 + 3 2.21634E-01 1.37574E-01 + 4 -5.19605E-02 -2.58277E-03 +4 0 *********** SCCC-ala-val + 1 -3.20525E-01 4.42837E-01 + 2 -1.13915E-01 1.75920E-01 + 3 1.97451E-01 1.03258E-01 + 4 -4.55199E-02 9.28782E-03 +4 0 *********** SCCC-ala-trp + 1 -3.65472E-01 4.53849E-01 + 2 -1.72051E-01 1.40110E-01 + 3 2.07740E-01 1.29915E-01 + 4 -4.16369E-02 -2.77301E-03 +4 0 *********** SCCC-ala-tyr + 1 -3.72513E-01 3.94795E-01 + 2 -1.40660E-01 1.49201E-01 + 3 2.24346E-01 1.43019E-01 + 4 -4.93708E-02 -7.27975E-03 +4 0 *********** SCCC-ala-ala + 1 -3.35311E-01 2.89927E-01 + 2 -3.40832E-02 1.42388E-01 + 3 1.94384E-01 1.32260E-01 + 4 -4.40129E-02 6.83620E-03 +4 0 *********** SCCC-ala-gly + 1 8.22151E-01 1.90559E-01 + 2 2.80038E-01 -3.33499E-01 + 3 1.83010E-01 1.85465E-01 + 4 1.76027E-02 1.47276E-02 +4 0 *********** SCCC-ala-thr + 1 -3.33347E-01 4.61786E-01 + 2 -1.71559E-01 1.22081E-01 + 3 1.67931E-01 1.38621E-01 + 4 -3.43815E-02 -4.49115E-03 +4 0 *********** SCCC-ala-ser + 1 -4.06949E-01 7.14967E-01 + 2 -4.06057E-01 1.53751E-01 + 3 2.89739E-01 4.70485E-02 + 4 -1.53989E-02 3.02970E-03 +4 0 *********** SCCC-ala-gln + 1 -3.26276E-01 5.37287E-01 + 2 -2.01614E-01 1.55365E-01 + 3 1.92868E-01 1.08395E-01 + 4 -3.12948E-02 -7.08043E-05 +4 0 *********** SCCC-ala-asn + 1 -3.75404E-01 6.51825E-01 + 2 -3.45384E-01 1.30874E-01 + 3 2.45000E-01 9.04840E-02 + 4 -2.17245E-02 -7.23659E-05 +4 0 *********** SCCC-ala-glu + 1 -3.43866E-01 5.54211E-01 + 2 -2.28051E-01 1.66137E-01 + 3 2.18724E-01 9.82461E-02 + 4 -3.50013E-02 -1.14697E-03 +4 0 *********** SCCC-ala-asp + 1 -3.12738E-01 6.68777E-01 + 2 -3.05225E-01 1.41344E-01 + 3 1.92434E-01 9.72087E-02 + 4 -9.11393E-03 -8.32133E-03 +4 0 *********** SCCC-ala-his + 1 -3.76833E-01 6.34999E-01 + 2 -3.15185E-01 1.55491E-01 + 3 2.33508E-01 7.55190E-02 + 4 -2.55150E-02 -1.56111E-03 +4 0 *********** SCCC-ala-arg + 1 -3.16390E-01 3.97000E-01 + 2 -8.43265E-02 1.56751E-01 + 3 1.90132E-01 1.26901E-01 + 4 -4.23054E-02 7.02945E-03 +4 0 *********** SCCC-ala-lys + 1 -3.22229E-01 3.43068E-01 + 2 -5.16360E-02 1.65308E-01 + 3 1.99295E-01 1.28740E-01 + 4 -4.76730E-02 7.50734E-03 +4 0 *********** SCCC-ala-pro + 1 -5.56238E-01 6.96095E-01 + 2 -5.44022E-01 4.66789E-04 + 3 3.39968E-01 2.04296E-01 + 4 -8.56865E-03 7.00255E-02 +4 0 *********** SCCC-gly-cys + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-met + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-phe + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-ile + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-leu + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-val + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-trp + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-tyr + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-ala + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-thr + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-ser + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-gln + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-asn + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-glu + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-asp + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-his + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-arg + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-lys + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-gly-pro + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCC-thr-cys + 1 -4.90024E-01 4.99375E-01 + 2 -2.61455E-01 3.68842E-01 + 3 1.46841E-01 -4.96766E-02 + 4 -6.38052E-02 9.61894E-03 +4 0 *********** SCCC-thr-met + 1 -4.61647E-01 3.24030E-01 + 2 -5.21712E-02 3.12550E-01 + 3 1.12628E-01 1.92250E-02 + 4 -7.86351E-02 3.52093E-02 +4 0 *********** SCCC-thr-phe + 1 -5.02279E-01 2.89948E-01 + 2 -8.82445E-02 3.22638E-01 + 3 1.43670E-01 1.65575E-02 + 4 -8.61400E-02 2.09730E-02 +4 0 *********** SCCC-thr-ile + 1 -4.39048E-01 4.23823E-01 + 2 -7.03309E-02 3.37190E-01 + 3 8.91131E-02 -1.89793E-02 + 4 -7.23148E-02 4.60728E-02 +4 0 *********** SCCC-thr-leu + 1 -4.82373E-01 2.57188E-01 + 2 -2.08155E-02 3.29115E-01 + 3 1.30920E-01 1.96853E-02 + 4 -8.86284E-02 3.57762E-02 +4 0 *********** SCCC-thr-val + 1 -4.50873E-01 3.61471E-01 + 2 -4.26064E-02 3.28680E-01 + 3 1.00254E-01 -8.35167E-04 + 4 -7.82746E-02 4.47010E-02 +4 0 *********** SCCC-thr-trp + 1 -4.86353E-01 3.59613E-01 + 2 -1.21384E-01 3.08268E-01 + 3 1.26119E-01 7.29395E-03 + 4 -7.52840E-02 2.30441E-02 +4 0 *********** SCCC-thr-tyr + 1 -4.97418E-01 2.92414E-01 + 2 -8.32210E-02 3.22340E-01 + 3 1.40823E-01 1.72882E-02 + 4 -8.55928E-02 2.26879E-02 +4 0 *********** SCCC-thr-ala + 1 -4.54346E-01 2.04123E-01 + 2 2.90041E-02 2.84000E-01 + 3 1.20336E-01 4.83944E-02 + 4 -7.64249E-02 3.42573E-02 +4 0 *********** SCCC-thr-gly + 1 7.28446E-01 3.43991E-01 + 2 1.15445E-01 -5.45032E-01 + 3 2.09564E-01 -1.56868E-02 + 4 -2.74504E-02 5.70935E-02 +4 0 *********** SCCC-thr-thr + 1 -4.38661E-01 3.94990E-01 + 2 -1.41118E-01 2.56087E-01 + 3 9.83967E-02 2.83491E-02 + 4 -5.71865E-02 1.25208E-02 +4 0 *********** SCCC-thr-ser + 1 -5.14363E-01 6.01150E-01 + 2 -3.83309E-01 4.28468E-01 + 3 1.70922E-01 -1.32749E-01 + 4 -3.71082E-02 -6.03075E-03 +4 0 *********** SCCC-thr-gln + 1 -4.41395E-01 4.65881E-01 + 2 -1.55335E-01 3.14635E-01 + 3 1.02257E-01 -6.64029E-03 + 4 -6.18051E-02 2.89429E-02 +4 0 *********** SCCC-thr-asn + 1 -4.72320E-01 5.74738E-01 + 2 -3.35595E-01 3.41979E-01 + 3 1.46187E-01 -6.66184E-02 + 4 -3.67170E-02 3.49577E-03 +4 0 *********** SCCC-thr-glu + 1 -4.62449E-01 4.68203E-01 + 2 -1.76282E-01 3.50327E-01 + 3 1.19657E-01 -2.73218E-02 + 4 -6.87305E-02 2.78182E-02 +4 0 *********** SCCC-thr-asp + 1 -4.08611E-01 6.38711E-01 + 2 -3.01493E-01 3.03020E-01 + 3 1.00627E-01 -4.21641E-02 + 4 -2.20284E-02 1.95056E-02 +4 0 *********** SCCC-thr-his + 1 -4.92681E-01 5.36284E-01 + 2 -2.78324E-01 3.74692E-01 + 3 1.33112E-01 -7.34918E-02 + 4 -5.65971E-02 1.01269E-02 +4 0 *********** SCCC-thr-arg + 1 -4.38676E-01 3.23477E-01 + 2 -2.00344E-02 2.91896E-01 + 3 9.97282E-02 2.83136E-02 + 4 -7.14757E-02 3.99299E-02 +4 0 *********** SCCC-thr-lys + 1 -4.49493E-01 2.63701E-01 + 2 2.00045E-02 3.02440E-01 + 3 1.06750E-01 2.81631E-02 + 4 -7.80944E-02 4.32498E-02 +4 0 *********** SCCC-thr-pro + 1 -6.16861E-01 5.06683E-01 + 2 -5.59323E-01 3.36619E-01 + 3 2.94052E-01 -2.36924E-03 + 4 -4.94889E-02 -7.00470E-03 +4 0 *********** SCCC-ser-cys + 1 -6.14117E-01 1.22660E+00 + 2 3.23261E-01 7.23900E-02 + 3 2.41012E-01 4.97487E-03 + 4 -2.49760E-02 9.82312E-02 +4 0 *********** SCCC-ser-met + 1 -7.07862E-01 9.52492E-01 + 2 4.09950E-01 -2.20340E-01 + 3 2.88134E-01 5.89095E-02 + 4 7.10558E-03 2.29656E-02 +4 0 *********** SCCC-ser-phe + 1 -8.29809E-01 9.37670E-01 + 2 4.27039E-01 -1.78466E-01 + 3 2.74963E-01 2.72161E-02 + 4 -8.49620E-03 4.09213E-02 +4 0 *********** SCCC-ser-ile + 1 -6.59256E-01 1.11401E+00 + 2 4.22297E-01 -2.32032E-01 + 3 2.53826E-01 8.84966E-02 + 4 2.36811E-02 2.29557E-02 +4 0 *********** SCCC-ser-leu + 1 -8.26008E-01 8.81905E-01 + 2 4.94684E-01 -2.48984E-01 + 3 2.57634E-01 4.86923E-02 + 4 1.86146E-02 1.20043E-02 +4 0 *********** SCCC-ser-val + 1 -7.12861E-01 1.02145E+00 + 2 4.48908E-01 -2.56107E-01 + 3 2.61644E-01 8.33860E-02 + 4 2.22000E-02 1.47398E-02 +4 0 *********** SCCC-ser-trp + 1 -7.35939E-01 1.02731E+00 + 2 3.56372E-01 -1.55509E-01 + 3 2.80891E-01 4.49671E-02 + 4 -1.09244E-02 4.27441E-02 +4 0 *********** SCCC-ser-tyr + 1 -8.13365E-01 9.36889E-01 + 2 4.24170E-01 -1.83317E-01 + 3 2.79732E-01 2.92346E-02 + 4 -8.21499E-03 3.97292E-02 +4 0 *********** SCCC-ser-ala + 1 -6.94355E-01 7.47595E-01 + 2 4.01523E-01 -2.42266E-01 + 3 3.03588E-01 3.89900E-03 + 4 7.86446E-03 2.13287E-02 +4 0 *********** SCCC-ser-gly + 1 1.77164E+00 3.10725E-01 + 2 -5.85324E-01 -7.31660E-02 + 3 -1.01387E-01 -4.59069E-02 + 4 1.34316E-01 8.63920E-02 +4 0 *********** SCCC-ser-thr + 1 -4.84627E-01 9.53395E-01 + 2 2.17104E-01 -2.83582E-02 + 3 2.94659E-01 6.90198E-03 + 4 -1.19554E-02 7.05146E-02 +4 0 *********** SCCC-ser-ser + 1 -6.21312E-01 1.49267E+00 + 2 3.92170E-01 3.28443E-01 + 3 4.93930E-02 3.05009E-02 + 4 -6.14712E-02 1.08455E-01 +4 0 *********** SCCC-ser-gln + 1 -5.33111E-01 1.14069E+00 + 2 2.83721E-01 -9.01366E-02 + 3 3.01803E-01 4.71410E-02 + 4 -1.19502E-02 5.74736E-02 +4 0 *********** SCCC-ser-asn + 1 -3.84750E-01 1.32124E+00 + 2 1.61357E-01 2.77083E-01 + 3 2.03604E-01 -4.29290E-02 + 4 -4.13240E-02 1.18300E-01 +4 0 *********** SCCC-ser-glu + 1 -6.14153E-01 1.17658E+00 + 2 3.45757E-01 -7.75638E-02 + 3 2.75174E-01 4.37628E-02 + 4 -7.45559E-03 6.14123E-02 +4 0 *********** SCCC-ser-asp + 1 -1.86171E-01 1.47209E+00 + 2 7.09682E-02 2.36619E-01 + 3 2.43295E-01 5.22303E-02 + 4 -7.72583E-02 7.89627E-02 +4 0 *********** SCCC-ser-his + 1 -6.69450E-01 1.34906E+00 + 2 3.61362E-01 5.03783E-02 + 3 1.78236E-01 7.50658E-02 + 4 -2.01136E-02 7.16205E-02 +4 0 *********** SCCC-ser-arg + 1 -6.37662E-01 9.32217E-01 + 2 3.70289E-01 -2.52955E-01 + 3 3.15748E-01 5.65638E-02 + 4 -4.68488E-03 2.00131E-02 +4 0 *********** SCCC-ser-lys + 1 -7.09024E-01 8.53952E-01 + 2 4.41752E-01 -2.78632E-01 + 3 2.81905E-01 5.04275E-02 + 4 1.69044E-02 1.04063E-02 +4 0 *********** SCCC-ser-pro + 1 -9.67425E-01 1.39575E+00 + 2 4.11182E-01 6.44769E-01 + 3 1.03654E-01 1.95730E-02 + 4 -1.72233E-01 9.52962E-02 +4 0 *********** SCCC-gln-cys + 1 -1.34193E-01 6.95126E-01 + 2 1.36249E-01 -1.25291E-01 + 3 -4.39939E-02 1.41835E-02 + 4 -3.51733E-02 1.31322E-02 +4 0 *********** SCCC-gln-met + 1 -1.40747E-01 5.93268E-01 + 2 9.50158E-02 -1.57052E-01 + 3 -3.29856E-02 -3.69531E-03 + 4 -3.20695E-02 1.00777E-03 +4 0 *********** SCCC-gln-phe + 1 -1.85231E-01 6.00285E-01 + 2 1.17086E-01 -1.55367E-01 + 3 -4.40100E-02 -1.46880E-04 + 4 -2.94278E-02 -5.55207E-04 +4 0 *********** SCCC-gln-ile + 1 -9.10324E-02 6.44284E-01 + 2 8.31625E-02 -1.60026E-01 + 3 -2.21222E-02 1.02181E-02 + 4 -3.45467E-02 4.52397E-03 +4 0 *********** SCCC-gln-leu + 1 -1.75889E-01 5.70684E-01 + 2 1.03674E-01 -1.74521E-01 + 3 -4.09702E-02 -8.32933E-04 + 4 -2.97803E-02 -3.97702E-03 +4 0 *********** SCCC-gln-val + 1 -1.17794E-01 6.14597E-01 + 2 8.70584E-02 -1.66263E-01 + 3 -2.69350E-02 4.96618E-03 + 4 -3.28492E-02 6.00545E-04 +4 0 *********** SCCC-gln-trp + 1 -1.53299E-01 6.24973E-01 + 2 1.08601E-01 -1.40354E-01 + 3 -3.62284E-02 -1.33675E-05 + 4 -3.25877E-02 3.49419E-03 +4 0 *********** SCCC-gln-tyr + 1 -1.80419E-01 5.98660E-01 + 2 1.14837E-01 -1.55866E-01 + 3 -4.31960E-02 -8.29990E-04 + 4 -2.94669E-02 -2.09085E-04 +4 0 *********** SCCC-gln-ala + 1 -1.72648E-01 5.03529E-01 + 2 8.54986E-02 -1.66546E-01 + 3 -4.37300E-02 -1.74088E-02 + 4 -2.66354E-02 -3.54927E-03 +4 0 *********** SCCC-gln-gly + 1 7.68867E-01 -4.83872E-02 + 2 -5.98158E-02 1.93480E-01 + 3 -5.95897E-02 8.53053E-04 + 4 -2.02137E-02 2.28224E-02 +4 0 *********** SCCC-gln-thr + 1 -1.03983E-01 5.91488E-01 + 2 9.45148E-02 -9.78836E-02 + 3 -3.46218E-02 -1.91000E-02 + 4 -2.38546E-02 7.09047E-03 +4 0 *********** SCCC-gln-ser + 1 -1.49127E-01 7.45891E-01 + 2 1.58965E-01 -1.33384E-01 + 3 -4.81319E-02 3.50647E-02 + 4 -4.05732E-02 1.50022E-02 +4 0 *********** SCCC-gln-gln + 1 -8.96216E-02 6.51434E-01 + 2 9.66373E-02 -1.23163E-01 + 3 -2.96888E-02 -1.83816E-03 + 4 -3.51919E-02 1.35639E-02 +4 0 *********** SCCC-gln-asn + 1 -1.04911E-01 6.91553E-01 + 2 1.37545E-01 -8.88920E-02 + 3 -5.17290E-02 6.11594E-03 + 4 -3.12069E-02 1.68626E-02 +4 0 *********** SCCC-gln-glu + 1 -1.10601E-01 6.73042E-01 + 2 1.11771E-01 -1.36486E-01 + 3 -3.39155E-02 9.31456E-03 + 4 -3.62744E-02 1.23069E-02 +4 0 *********** SCCC-gln-asp + 1 -2.98098E-02 6.82432E-01 + 2 1.00861E-01 -6.79492E-02 + 3 -3.73643E-02 -1.07486E-02 + 4 -3.56411E-02 3.22553E-02 +4 0 *********** SCCC-gln-his + 1 -1.32299E-01 7.16173E-01 + 2 1.32475E-01 -1.31555E-01 + 3 -3.64503E-02 2.25037E-02 + 4 -3.97687E-02 1.09480E-02 +4 0 *********** SCCC-gln-arg + 1 -1.19110E-01 5.73573E-01 + 2 7.84065E-02 -1.55219E-01 + 3 -2.99762E-02 -1.01147E-02 + 4 -2.99750E-02 3.08938E-03 +4 0 *********** SCCC-gln-lys + 1 -1.45598E-01 5.45942E-01 + 2 8.13527E-02 -1.73132E-01 + 3 -3.41550E-02 -7.35472E-03 + 4 -2.87123E-02 -3.80024E-03 +4 0 *********** SCCC-gln-pro + 1 -2.90448E-01 7.30120E-01 + 2 2.27678E-01 -9.03995E-02 + 3 -7.91464E-02 1.76609E-03 + 4 -6.82776E-02 -3.21575E-02 +4 0 *********** SCCC-asn-cys + 1 -1.62150E-01 9.56855E-01 + 2 3.46774E-01 6.06181E-02 + 3 -2.48439E-03 -1.07124E-01 + 4 -1.93826E-02 -5.75492E-03 +4 0 *********** SCCC-asn-met + 1 -2.65641E-01 7.96242E-01 + 2 2.76915E-01 -1.64132E-01 + 3 5.36865E-02 -1.30750E-01 + 4 6.16549E-03 -4.87446E-02 +4 0 *********** SCCC-asn-phe + 1 -3.43347E-01 7.96600E-01 + 2 3.02311E-01 -1.26055E-01 + 3 3.07028E-02 -1.49390E-01 + 4 9.55578E-03 -3.33538E-02 +4 0 *********** SCCC-asn-ile + 1 -1.76683E-01 8.81392E-01 + 2 2.91790E-01 -1.55566E-01 + 3 3.48252E-02 -8.64962E-02 + 4 8.49137E-03 -5.88552E-02 +4 0 *********** SCCC-asn-leu + 1 -3.48201E-01 7.56475E-01 + 2 3.06465E-01 -2.02490E-01 + 3 3.34965E-02 -1.42360E-01 + 4 1.40298E-02 -5.24899E-02 +4 0 *********** SCCC-asn-val + 1 -2.35641E-01 8.31220E-01 + 2 2.90214E-01 -1.84412E-01 + 3 4.13827E-02 -1.06222E-01 + 4 1.25033E-02 -5.92918E-02 +4 0 *********** SCCC-asn-trp + 1 -2.66358E-01 8.45706E-01 + 2 2.78264E-01 -8.90219E-02 + 3 4.03001E-02 -1.27723E-01 + 4 1.20405E-03 -3.48995E-02 +4 0 *********** SCCC-asn-tyr + 1 -3.34660E-01 7.94759E-01 + 2 2.99689E-01 -1.31033E-01 + 3 3.36287E-02 -1.49084E-01 + 4 9.12004E-03 -3.43792E-02 +4 0 *********** SCCC-asn-ala + 1 -3.30662E-01 6.69391E-01 + 2 2.48345E-01 -2.23211E-01 + 3 5.77542E-02 -1.72134E-01 + 4 3.82538E-03 -4.57734E-02 +4 0 *********** SCCC-asn-gly + 1 1.10894E+00 -1.29810E-01 + 2 -4.78939E-01 7.85185E-02 + 3 -7.36233E-02 -1.00234E-01 + 4 2.99417E-02 -9.03175E-03 +4 0 *********** SCCC-asn-thr + 1 -1.51014E-01 8.07619E-01 + 2 2.17752E-01 -1.99694E-02 + 3 7.28192E-02 -1.41545E-01 + 4 3.57693E-03 -7.97927E-03 +4 0 *********** SCCC-asn-ser + 1 -1.31708E-01 1.06546E+00 + 2 4.34947E-01 1.74209E-01 + 3 -7.78470E-02 -4.52594E-02 + 4 -4.85106E-02 1.14087E-02 +4 0 *********** SCCC-asn-gln + 1 -1.21385E-01 8.99405E-01 + 2 2.65511E-01 -4.19733E-02 + 3 5.20222E-02 -1.10583E-01 + 4 -1.46111E-02 -2.96657E-02 +4 0 *********** SCCC-asn-asn + 1 -5.08046E-02 9.88061E-01 + 2 3.16621E-01 1.83519E-01 + 3 -1.77269E-02 -1.06868E-01 + 4 -4.05749E-02 1.86697E-02 +4 0 *********** SCCC-asn-glu + 1 -1.57210E-01 9.22129E-01 + 2 3.11531E-01 -3.52836E-02 + 3 2.48361E-02 -1.04413E-01 + 4 -1.10658E-02 -3.04204E-02 +4 0 *********** SCCC-asn-asp + 1 9.55026E-02 1.01758E+00 + 2 2.48931E-01 1.71751E-01 + 3 3.33383E-02 -7.99290E-02 + 4 -7.93974E-02 1.49526E-02 +4 0 *********** SCCC-asn-his + 1 -1.50728E-01 1.00865E+00 + 2 3.59980E-01 6.26670E-02 + 3 -1.59120E-02 -6.06809E-02 + 4 -2.20277E-02 -1.97543E-02 +4 0 *********** SCCC-asn-arg + 1 -2.31193E-01 7.75213E-01 + 2 2.43046E-01 -1.87487E-01 + 3 6.78871E-02 -1.37402E-01 + 4 8.71368E-04 -4.71793E-02 +4 0 *********** SCCC-asn-lys + 1 -2.94462E-01 7.32113E-01 + 2 2.65544E-01 -2.33553E-01 + 3 5.34956E-02 -1.38595E-01 + 4 1.06220E-02 -5.66873E-02 +4 0 *********** SCCC-asn-pro + 1 -3.40017E-01 1.01307E+00 + 2 4.38875E-01 3.77154E-01 + 3 -3.01538E-02 -1.07491E-01 + 4 -1.02658E-01 -4.59325E-02 +4 0 *********** SCCC-glu-cys + 1 -1.75028E-01 7.93185E-01 + 2 1.39923E-01 -1.97325E-01 + 3 5.11717E-03 -4.48841E-02 + 4 -2.09619E-02 4.12788E-03 +4 0 *********** SCCC-glu-met + 1 -1.73920E-01 6.75570E-01 + 2 9.16265E-02 -2.19977E-01 + 3 5.01779E-03 -6.20543E-02 + 4 -1.83131E-02 -7.12865E-03 +4 0 *********** SCCC-glu-phe + 1 -2.26687E-01 6.83802E-01 + 2 1.18721E-01 -2.18522E-01 + 3 -5.53577E-03 -5.69417E-02 + 4 -1.52122E-02 -7.95138E-03 +4 0 *********** SCCC-glu-ile + 1 -1.22022E-01 7.37308E-01 + 2 7.53497E-02 -2.28979E-01 + 3 1.52193E-02 -4.74620E-02 + 4 -2.20326E-02 -5.38584E-03 +4 0 *********** SCCC-glu-leu + 1 -2.13868E-01 6.50347E-01 + 2 1.02371E-01 -2.38147E-01 + 3 -6.84325E-03 -5.99558E-02 + 4 -1.60185E-02 -1.25296E-02 +4 0 *********** SCCC-glu-val + 1 -1.50483E-01 7.02101E-01 + 2 8.11514E-02 -2.33310E-01 + 3 9.48777E-03 -5.28115E-02 + 4 -1.98443E-02 -8.59830E-03 +4 0 *********** SCCC-glu-trp + 1 -1.90709E-01 7.12034E-01 + 2 1.08397E-01 -2.03549E-01 + 3 5.93232E-03 -5.50367E-02 + 4 -1.87646E-02 -3.46632E-03 +4 0 *********** SCCC-glu-tyr + 1 -2.20808E-01 6.81845E-01 + 2 1.15825E-01 -2.18922E-01 + 3 -4.88019E-03 -5.82385E-02 + 4 -1.52258E-02 -7.67458E-03 +4 0 *********** SCCC-glu-ala + 1 -2.02807E-01 5.71139E-01 + 2 8.14762E-02 -2.19988E-01 + 3 -1.40082E-02 -7.89186E-02 + 4 -1.19888E-02 -1.04592E-02 +4 0 *********** SCCC-glu-gly + 1 8.97790E-01 -2.27123E-02 + 2 -2.62402E-02 2.74987E-01 + 3 7.65727E-03 1.24542E-02 + 4 -1.52370E-02 8.04106E-03 +4 0 *********** SCCC-glu-thr + 1 -1.26316E-01 6.66038E-01 + 2 9.50929E-02 -1.45733E-01 + 3 6.48408E-03 -7.28985E-02 + 4 -7.56382E-03 2.86168E-03 +4 0 *********** SCCC-glu-ser + 1 -2.03413E-01 8.58359E-01 + 2 1.66860E-01 -2.20439E-01 + 3 6.60586E-03 -2.01982E-02 + 4 -2.94999E-02 3.44116E-03 +4 0 *********** SCCC-glu-gln + 1 -1.16987E-01 7.41144E-01 + 2 9.21413E-02 -1.86101E-01 + 3 1.45002E-02 -6.22335E-02 + 4 -2.07142E-02 5.13481E-03 +4 0 *********** SCCC-glu-asn + 1 -1.34928E-01 7.81608E-01 + 2 1.43251E-01 -1.48459E-01 + 3 -4.90144E-03 -5.56245E-02 + 4 -1.31215E-02 7.87766E-03 +4 0 *********** SCCC-glu-glu + 1 -1.45328E-01 7.68498E-01 + 2 1.09251E-01 -2.06419E-01 + 3 1.10565E-02 -5.13099E-02 + 4 -2.27145E-02 2.62237E-03 +4 0 *********** SCCC-glu-asp + 1 -4.44767E-02 7.71662E-01 + 2 9.57822E-02 -1.23086E-01 + 3 1.18016E-02 -7.93886E-02 + 4 -1.81803E-02 2.32727E-02 +4 0 *********** SCCC-glu-his + 1 -1.77390E-01 8.22192E-01 + 2 1.35512E-01 -2.10222E-01 + 3 1.66831E-02 -3.09861E-02 + 4 -2.79671E-02 2.59738E-03 +4 0 *********** SCCC-glu-arg + 1 -1.46782E-01 6.52472E-01 + 2 7.13978E-02 -2.14584E-01 + 3 5.11771E-03 -7.00618E-02 + 4 -1.59487E-02 -4.55723E-03 +4 0 *********** SCCC-glu-lys + 1 -1.76250E-01 6.21346E-01 + 2 7.58678E-02 -2.33049E-01 + 3 -2.59398E-03 -6.66189E-02 + 4 -1.48581E-02 -1.15323E-02 +4 0 *********** SCCC-glu-pro + 1 -3.72547E-01 8.37364E-01 + 2 2.71202E-01 -1.95828E-01 + 3 -7.88203E-03 -1.39372E-02 + 4 -6.89503E-02 -3.81628E-02 +4 0 *********** SCCC-asp-cys + 1 6.89146E-03 9.62901E-01 + 2 2.89389E-01 2.34632E-01 + 3 6.71682E-02 -1.58876E-01 + 4 9.88754E-02 9.45503E-03 +4 0 *********** SCCC-asp-met + 1 -1.63376E-01 7.49125E-01 + 2 2.66037E-01 -2.98849E-02 + 3 1.20566E-01 -1.84298E-01 + 4 1.11529E-01 -1.32414E-02 +4 0 *********** SCCC-asp-phe + 1 -2.29384E-01 7.55678E-01 + 2 2.61144E-01 6.87120E-03 + 3 1.08042E-01 -2.08570E-01 + 4 1.11254E-01 9.27824E-04 +4 0 *********** SCCC-asp-ile + 1 -5.28974E-02 8.29422E-01 + 2 2.91790E-01 4.88933E-03 + 3 9.00759E-02 -1.52680E-01 + 4 1.19320E-01 -2.24447E-02 +4 0 *********** SCCC-asp-leu + 1 -2.40931E-01 7.02691E-01 + 2 2.86859E-01 -6.60185E-02 + 3 1.08285E-01 -2.05115E-01 + 4 1.14096E-01 -1.03636E-02 +4 0 *********** SCCC-asp-val + 1 -1.21797E-01 7.76321E-01 + 2 2.86876E-01 -3.45549E-02 + 3 1.02586E-01 -1.70534E-01 + 4 1.19843E-01 -1.94708E-02 +4 0 *********** SCCC-asp-trp + 1 -1.54704E-01 8.11497E-01 + 2 2.42768E-01 4.74845E-02 + 3 1.07068E-01 -1.83322E-01 + 4 1.08048E-01 -4.05058E-03 +4 0 *********** SCCC-asp-tyr + 1 -2.22323E-01 7.53145E-01 + 2 2.62355E-01 1.71466E-03 + 3 1.10226E-01 -2.07274E-01 + 4 1.11028E-01 -4.76266E-04 +4 0 *********** SCCC-asp-ala + 1 -2.58419E-01 6.24448E-01 + 2 2.47257E-01 -1.18176E-01 + 3 1.31675E-01 -2.10078E-01 + 4 8.96703E-02 -1.46616E-02 +4 0 *********** SCCC-asp-gly + 1 1.11938E+00 -4.79483E-01 + 2 -5.39968E-01 -2.59984E-01 + 3 -4.20150E-02 -6.95953E-02 + 4 6.07620E-02 -6.31520E-03 +4 0 *********** SCCC-asp-thr + 1 -7.14183E-02 7.90607E-01 + 2 1.99141E-01 8.39682E-02 + 3 1.38223E-01 -1.56640E-01 + 4 8.44660E-02 6.23549E-03 +4 0 *********** SCCC-asp-ser + 1 1.48522E-01 1.14542E+00 + 2 3.41212E-01 4.51183E-01 + 3 -4.27583E-02 -8.22659E-02 + 4 4.58009E-02 1.89451E-02 +4 0 *********** SCCC-asp-gln + 1 -3.80731E-03 8.76195E-01 + 2 2.52369E-01 1.02246E-01 + 3 1.12769E-01 -1.53550E-01 + 4 9.98621E-02 -1.12339E-02 +4 0 *********** SCCC-asp-asn + 1 1.22758E-01 1.04207E+00 + 2 2.53169E-01 3.63126E-01 + 3 3.65086E-02 -1.26146E-01 + 4 5.72966E-02 1.44893E-02 +4 0 *********** SCCC-asp-glu + 1 -1.60424E-02 8.99494E-01 + 2 2.84138E-01 1.27096E-01 + 3 9.00957E-02 -1.62470E-01 + 4 1.09158E-01 -7.72673E-03 +4 0 *********** SCCC-asp-asp + 1 2.59374E-01 1.06658E+00 + 2 2.34343E-01 3.50566E-01 + 3 7.94228E-02 -7.82301E-02 + 4 3.04771E-02 3.42785E-03 +4 0 *********** SCCC-asp-his + 1 4.14244E-02 1.01882E+00 + 2 3.00553E-01 2.68657E-01 + 3 3.96480E-02 -1.19962E-01 + 4 9.49039E-02 8.52413E-03 +4 0 *********** SCCC-asp-arg + 1 -1.43057E-01 7.27323E-01 + 2 2.47012E-01 -6.37525E-02 + 3 1.29984E-01 -1.81607E-01 + 4 9.96790E-02 -1.96414E-02 +4 0 *********** SCCC-asp-lys + 1 -2.06415E-01 6.77904E-01 + 2 2.68843E-01 -1.08164E-01 + 3 1.19636E-01 -1.89430E-01 + 4 1.04245E-01 -1.92013E-02 +4 0 *********** SCCC-asp-pro + 1 -1.38898E-01 1.27123E+00 + 2 1.99963E-01 7.69688E-01 + 3 1.91683E-01 -3.21063E-01 + 4 -1.48049E-01 2.78634E-01 +4 0 *********** SCCC-his-cys + 1 -3.69345E-01 1.02232E+00 + 2 2.73396E-01 -1.37066E-01 + 3 5.51468E-02 -1.69168E-01 + 4 -7.02196E-02 2.82981E-02 +4 0 *********** SCCC-his-met + 1 -3.81561E-01 8.61414E-01 + 2 2.24917E-01 -2.76206E-01 + 3 6.00277E-02 -1.65478E-01 + 4 -4.49430E-02 -4.76821E-02 +4 0 *********** SCCC-his-phe + 1 -4.68949E-01 8.57245E-01 + 2 2.62629E-01 -2.41380E-01 + 3 4.20567E-02 -1.82999E-01 + 4 -4.95250E-02 -3.34942E-02 +4 0 *********** SCCC-his-ile + 1 -3.28031E-01 9.70230E-01 + 2 2.22628E-01 -3.00284E-01 + 3 4.74535E-02 -1.22181E-01 + 4 -3.95713E-02 -4.37272E-02 +4 0 *********** SCCC-his-leu + 1 -4.56076E-01 8.14821E-01 + 2 2.65737E-01 -2.99845E-01 + 3 2.74991E-02 -1.75545E-01 + 4 -3.45093E-02 -5.38870E-02 +4 0 *********** SCCC-his-val + 1 -3.66815E-01 9.09384E-01 + 2 2.32540E-01 -3.08934E-01 + 3 4.54471E-02 -1.39055E-01 + 4 -3.53282E-02 -5.26108E-02 +4 0 *********** SCCC-his-trp + 1 -4.04562E-01 9.12636E-01 + 2 2.29576E-01 -2.23804E-01 + 3 6.41183E-02 -1.61855E-01 + 4 -5.73424E-02 -3.13866E-02 +4 0 *********** SCCC-his-tyr + 1 -4.58121E-01 8.55671E-01 + 2 2.57802E-01 -2.45122E-01 + 3 4.46526E-02 -1.83509E-01 + 4 -4.96869E-02 -3.37290E-02 +4 0 *********** SCCC-his-ala + 1 -3.95989E-01 7.05652E-01 + 2 2.07209E-01 -2.84327E-01 + 3 4.39849E-02 -2.13866E-01 + 4 -4.07812E-02 -5.09985E-02 +4 0 *********** SCCC-his-gly + 1 1.25852E+00 1.76141E-01 + 2 -2.77315E-01 3.24357E-01 + 3 4.54429E-02 -7.91989E-02 + 4 1.99718E-02 4.65286E-02 +4 0 *********** SCCC-his-thr + 1 -2.58759E-01 8.49473E-01 + 2 1.63800E-01 -1.27977E-01 + 3 9.93722E-02 -1.98211E-01 + 4 -4.68005E-02 1.04977E-03 +4 0 *********** SCCC-his-ser + 1 -4.42381E-01 1.12152E+00 + 2 3.64904E-01 -1.17923E-01 + 3 1.22945E-02 -1.22412E-01 + 4 -8.14961E-02 5.24886E-02 +4 0 *********** SCCC-his-gln + 1 -2.74803E-01 9.71741E-01 + 2 1.86757E-01 -1.96807E-01 + 3 9.06279E-02 -1.60756E-01 + 4 -7.07205E-02 -7.42647E-03 +4 0 *********** SCCC-his-asn + 1 -2.59373E-01 1.01077E+00 + 2 2.37818E-01 -1.69224E-02 + 3 5.04090E-02 -2.04248E-01 + 4 -6.44461E-02 6.27076E-02 +4 0 *********** SCCC-his-glu + 1 -3.34689E-01 1.00225E+00 + 2 2.34058E-01 -2.08542E-01 + 3 6.62179E-02 -1.52845E-01 + 4 -6.77561E-02 -2.88808E-03 +4 0 *********** SCCC-his-asp + 1 -1.13489E-01 1.05146E+00 + 2 1.36018E-01 -4.44790E-02 + 3 1.26749E-01 -1.82384E-01 + 4 -1.23555E-01 6.77906E-02 +4 0 *********** SCCC-his-his + 1 -3.94646E-01 1.08754E+00 + 2 2.91579E-01 -1.75765E-01 + 3 5.16481E-02 -1.10558E-01 + 4 -7.10761E-02 5.27062E-03 +4 0 *********** SCCC-his-arg + 1 -3.30066E-01 8.37721E-01 + 2 1.84874E-01 -2.86796E-01 + 3 7.31266E-02 -1.74279E-01 + 4 -5.31747E-02 -4.43825E-02 +4 0 *********** SCCC-his-lys + 1 -3.81706E-01 7.86125E-01 + 2 2.18531E-01 -3.16421E-01 + 3 4.33274E-02 -1.75276E-01 + 4 -3.24525E-02 -5.78990E-02 +4 0 *********** SCCC-his-pro + 1 -7.30659E-01 1.01721E+00 + 2 4.71006E-01 1.74010E-02 + 3 6.27875E-02 -1.49403E-01 + 4 -1.64736E-01 2.55952E-02 +4 0 *********** SCCC-arg-cys + 1 -4.73342E-01 2.53493E-01 + 2 -1.04818E-01 -1.89795E-02 + 3 7.72408E-02 4.49749E-02 + 4 -7.40174E-02 1.81466E-04 +4 0 *********** SCCC-arg-met + 1 -4.05113E-01 1.78167E-01 + 2 -6.21818E-02 2.92029E-02 + 3 4.53693E-02 3.55998E-02 + 4 -5.40860E-02 -8.65102E-03 +4 0 *********** SCCC-arg-phe + 1 -4.23597E-01 1.58949E-01 + 2 -6.66038E-02 2.47021E-02 + 3 5.03868E-02 4.11327E-02 + 4 -5.78930E-02 -1.16976E-02 +4 0 *********** SCCC-arg-ile + 1 -4.15299E-01 2.35567E-01 + 2 -7.24346E-02 2.09376E-02 + 3 5.24164E-02 2.56747E-02 + 4 -5.30972E-02 2.01269E-03 +4 0 *********** SCCC-arg-leu + 1 -3.98462E-01 1.45644E-01 + 2 -5.52901E-02 4.37980E-02 + 3 4.47608E-02 3.54917E-02 + 4 -5.30811E-02 -9.74845E-03 +4 0 *********** SCCC-arg-val + 1 -4.06142E-01 2.03001E-01 + 2 -6.40740E-02 3.03356E-02 + 3 4.75051E-02 2.89481E-02 + 4 -5.20303E-02 -2.96945E-03 +4 0 *********** SCCC-arg-trp + 1 -4.32196E-01 1.90354E-01 + 2 -7.31097E-02 1.01073E-02 + 3 5.22349E-02 4.08552E-02 + 4 -5.90120E-02 -1.00659E-02 +4 0 *********** SCCC-arg-tyr + 1 -4.21075E-01 1.60625E-01 + 2 -6.61055E-02 2.56922E-02 + 3 4.99396E-02 4.05342E-02 + 4 -5.75701E-02 -1.11830E-02 +4 0 *********** SCCC-arg-ala + 1 -3.62189E-01 1.07613E-01 + 2 -3.86273E-02 5.48172E-02 + 3 3.46412E-02 3.64830E-02 + 4 -4.69961E-02 -1.27651E-02 +4 0 *********** SCCC-arg-gly + 1 4.00182E-01 4.17668E-01 + 2 1.17543E-01 -2.63219E-02 + 3 3.09356E-02 8.67132E-02 + 4 -2.98912E-02 6.19530E-02 +4 0 *********** SCCC-arg-thr + 1 -4.09575E-01 1.99549E-01 + 2 -7.32878E-02 -1.88423E-03 + 3 4.29009E-02 4.11909E-02 + 4 -5.15602E-02 -1.08618E-02 +4 0 *********** SCCC-arg-ser + 1 -5.05874E-01 2.84182E-01 + 2 -1.22501E-01 -3.54938E-02 + 3 9.70116E-02 4.64495E-02 + 4 -8.46584E-02 8.18824E-03 +4 0 *********** SCCC-arg-gln + 1 -4.32396E-01 2.43546E-01 + 2 -8.51436E-02 -2.74496E-03 + 3 5.82585E-02 3.79556E-02 + 4 -6.26550E-02 -2.04682E-03 +4 0 *********** SCCC-arg-asn + 1 -4.75275E-01 2.70643E-01 + 2 -1.13187E-01 -3.66262E-02 + 3 8.06719E-02 4.89900E-02 + 4 -7.54243E-02 1.54695E-03 +4 0 *********** SCCC-arg-glu + 1 -4.47872E-01 2.47488E-01 + 2 -9.19302E-02 -2.85206E-03 + 3 6.66418E-02 3.77559E-02 + 4 -6.67127E-02 9.88276E-04 +4 0 *********** SCCC-arg-asp + 1 -4.50217E-01 3.01442E-01 + 2 -1.09243E-01 -3.98998E-02 + 3 7.44890E-02 4.61206E-02 + 4 -7.56613E-02 6.91330E-03 +4 0 *********** SCCC-arg-his + 1 -4.81948E-01 2.64773E-01 + 2 -1.06189E-01 -2.30736E-02 + 3 7.85526E-02 4.26425E-02 + 4 -7.31967E-02 7.22995E-04 +4 0 *********** SCCC-arg-arg + 1 -3.87081E-01 1.77815E-01 + 2 -5.42853E-02 3.40488E-02 + 3 4.03228E-02 3.28638E-02 + 4 -5.03760E-02 -6.84053E-03 +4 0 *********** SCCC-arg-lys + 1 -3.75245E-01 1.46792E-01 + 2 -4.51987E-02 4.94359E-02 + 3 3.73444E-02 3.13716E-02 + 4 -4.69384E-02 -8.52284E-03 +4 0 *********** SCCC-arg-pro + 1 -5.95886E-01 2.06751E-01 + 2 -8.81570E-02 -8.15618E-02 + 3 7.14983E-02 1.19196E-01 + 4 -9.18050E-02 -5.95070E-02 +4 0 *********** SCCC-lys-cys + 1 -5.47372E-01 3.16605E-01 + 2 -2.87129E-01 -4.87277E-02 + 3 6.85147E-02 7.82231E-02 + 4 -2.52364E-02 4.46998E-03 +4 0 *********** SCCC-lys-met + 1 -4.60087E-01 1.84547E-01 + 2 -1.81462E-01 5.61335E-02 + 3 1.04843E-02 7.62134E-02 + 4 -2.33361E-02 -2.58159E-02 +4 0 *********** SCCC-lys-phe + 1 -4.80395E-01 1.59179E-01 + 2 -1.92525E-01 3.81188E-02 + 3 1.47921E-02 9.02307E-02 + 4 -2.21454E-02 -2.78217E-02 +4 0 *********** SCCC-lys-ile + 1 -4.74587E-01 2.65560E-01 + 2 -2.07996E-01 5.01665E-02 + 3 3.24299E-02 5.54556E-02 + 4 -2.36470E-02 -1.53426E-02 +4 0 *********** SCCC-lys-leu + 1 -4.50611E-01 1.36362E-01 + 2 -1.69617E-01 7.94878E-02 + 3 7.67290E-03 8.55450E-02 + 4 -2.33045E-02 -3.10951E-02 +4 0 *********** SCCC-lys-val + 1 -4.62113E-01 2.17145E-01 + 2 -1.88623E-01 6.44282E-02 + 3 2.02094E-02 6.54751E-02 + 4 -2.39116E-02 -2.27431E-02 +4 0 *********** SCCC-lys-trp + 1 -4.93534E-01 2.07583E-01 + 2 -2.05569E-01 1.39425E-02 + 3 2.22329E-02 8.05416E-02 + 4 -2.31722E-02 -2.09946E-02 +4 0 *********** SCCC-lys-tyr + 1 -4.77446E-01 1.61184E-01 + 2 -1.91261E-01 4.10369E-02 + 3 1.41410E-02 8.90870E-02 + 4 -2.22685E-02 -2.77056E-02 +4 0 *********** SCCC-lys-ala + 1 -4.11165E-01 8.80741E-02 + 2 -1.28881E-01 9.94373E-02 + 3 -1.00122E-02 8.75506E-02 + 4 -2.35571E-02 -3.16775E-02 +4 0 *********** SCCC-lys-gly + 1 5.25954E-01 4.79788E-01 + 2 3.34916E-01 -8.65974E-02 + 3 4.33983E-02 1.24438E-01 + 4 -4.31657E-04 3.26861E-02 +4 0 *********** SCCC-lys-thr + 1 -4.71676E-01 2.27090E-01 + 2 -1.95394E-01 -8.01890E-03 + 3 9.16728E-03 7.08142E-02 + 4 -1.90784E-02 -1.71305E-02 +4 0 *********** SCCC-lys-ser + 1 -5.98217E-01 3.88338E-01 + 2 -3.47037E-01 -9.79754E-02 + 3 1.20162E-01 7.50527E-02 + 4 -3.17903E-02 3.51891E-02 +4 0 *********** SCCC-lys-gln + 1 -4.96946E-01 2.88272E-01 + 2 -2.31370E-01 -2.69509E-03 + 3 3.46963E-02 6.54058E-02 + 4 -2.40756E-02 -7.89120E-03 +4 0 *********** SCCC-lys-asn + 1 -5.59296E-01 3.57317E-01 + 2 -3.04425E-01 -9.17428E-02 + 3 8.18186E-02 7.82304E-02 + 4 -2.80689E-02 1.91804E-02 +4 0 *********** SCCC-lys-glu + 1 -5.13847E-01 2.95140E-01 + 2 -2.52457E-01 -6.09678E-03 + 3 4.88495E-02 6.92841E-02 + 4 -2.43858E-02 -5.26692E-03 +4 0 *********** SCCC-lys-asp + 1 -5.31340E-01 3.98318E-01 + 2 -2.85858E-01 -8.13740E-02 + 3 6.60168E-02 6.04862E-02 + 4 -2.90134E-02 2.37989E-02 +4 0 *********** SCCC-lys-his + 1 -5.61080E-01 3.38925E-01 + 2 -2.96162E-01 -5.72318E-02 + 3 7.95857E-02 6.88026E-02 + 4 -2.57550E-02 1.00336E-02 +4 0 *********** SCCC-lys-arg + 1 -4.40771E-01 1.83017E-01 + 2 -1.61779E-01 6.94934E-02 + 3 3.89153E-03 7.17533E-02 + 4 -2.44256E-02 -2.49766E-02 +4 0 *********** SCCC-lys-lys + 1 -4.26222E-01 1.38297E-01 + 2 -1.45744E-01 9.62439E-02 + 3 1.82849E-04 7.59947E-02 + 4 -2.42978E-02 -2.99072E-02 +4 0 *********** SCCC-lys-pro + 1 -6.87509E-01 3.29153E-01 + 2 -3.35348E-01 -2.51436E-01 + 3 9.98007E-02 1.67332E-01 + 4 -6.37424E-02 2.57929E-02 +4 0 *********** SCCC-pro-cys + 1 4.82339E-01 1.42614E+00 + 2 2.73463E-03 -2.46321E-01 + 3 -7.23621E-02 -1.95558E-01 + 4 4.91904E-02 -1.21700E-01 +4 0 *********** SCCC-pro-met + 1 1.68794E-01 1.23060E+00 + 2 -2.47973E-01 -3.80756E-01 + 3 -4.89137E-02 -2.85234E-01 + 4 7.05047E-02 -3.45015E-02 +4 0 *********** SCCC-pro-phe + 1 7.60068E-02 1.33126E+00 + 2 -2.43027E-01 -4.13656E-01 + 3 -4.27590E-02 -2.69401E-01 + 4 8.27960E-02 -4.00862E-02 +4 0 *********** SCCC-pro-ile + 1 3.32850E-01 1.34111E+00 + 2 -2.82477E-01 -3.67684E-01 + 3 -2.03285E-02 -3.17522E-01 + 4 7.74037E-02 -4.01822E-02 +4 0 *********** SCCC-pro-leu + 1 3.23707E-02 1.27574E+00 + 2 -2.95285E-01 -4.75463E-01 + 3 -1.57196E-02 -2.72307E-01 + 4 6.35484E-02 -5.02080E-03 +4 0 *********** SCCC-pro-val + 1 2.19698E-01 1.30074E+00 + 2 -2.99856E-01 -4.07424E-01 + 3 -1.76088E-02 -3.10886E-01 + 4 7.62449E-02 -2.36822E-02 +4 0 *********** SCCC-pro-trp + 1 2.11003E-01 1.32354E+00 + 2 -2.08207E-01 -3.28018E-01 + 3 -5.88735E-02 -2.76918E-01 + 4 8.41015E-02 -5.71559E-02 +4 0 *********** SCCC-pro-tyr + 1 8.63762E-02 1.31518E+00 + 2 -2.42393E-01 -4.09271E-01 + 3 -4.62516E-02 -2.71177E-01 + 4 8.18826E-02 -4.06253E-02 +4 0 *********** SCCC-pro-ala + 1 1.64853E-02 1.04884E+00 + 2 -2.43450E-01 -3.94165E-01 + 3 -8.69073E-02 -2.30146E-01 + 4 4.56232E-02 -2.01726E-02 +4 0 *********** SCCC-pro-gly + 1 2.23240E+00 -2.14457E+00 + 2 -3.37741E-01 -2.83765E-01 + 3 -1.50305E-01 1.76072E-01 + 4 -3.74656E-02 1.51697E-02 +4 0 *********** SCCC-pro-thr + 1 3.32017E-01 1.04626E+00 + 2 -2.75534E-02 -1.86874E-01 + 3 -1.12255E-01 -1.98801E-01 + 4 3.64635E-02 -8.80600E-02 +4 0 *********** SCCC-pro-ser + 1 8.54398E-01 1.81527E+00 + 2 2.24325E-01 -1.46596E-01 + 3 8.57517E-02 -1.83586E-02 + 4 6.03122E-02 -7.05508E-02 +4 0 *********** SCCC-pro-gln + 1 4.44934E-01 1.25153E+00 + 2 -1.09365E-01 -2.30544E-01 + 3 -9.20696E-02 -2.62958E-01 + 4 5.94435E-02 -9.22573E-02 +4 0 *********** SCCC-pro-asn + 1 7.57578E-01 1.34308E+00 + 2 2.45102E-01 -2.32651E-02 + 3 -1.13890E-01 -5.77947E-02 + 4 1.66961E-02 -1.36478E-01 +4 0 *********** SCCC-pro-glu + 1 4.22861E-01 1.36719E+00 + 2 -1.29948E-01 -2.86940E-01 + 3 -6.70773E-02 -2.68784E-01 + 4 6.70893E-02 -9.16566E-02 +4 0 *********** SCCC-pro-asp + 1 1.06001E+00 1.34100E+00 + 2 2.62307E-01 1.31717E-01 + 3 -1.07909E-01 -9.61497E-02 + 4 4.65401E-02 -1.17995E-01 +4 0 *********** SCCC-pro-his + 1 5.51527E-01 1.63451E+00 + 2 -8.43776E-02 -2.48776E-01 + 3 -4.05782E-03 -2.49672E-01 + 4 9.46899E-02 -9.34989E-02 +4 0 *********** SCCC-pro-arg + 1 1.99155E-01 1.15004E+00 + 2 -2.60709E-01 -3.42296E-01 + 3 -7.54445E-02 -2.89494E-01 + 4 7.36528E-02 -3.76496E-02 +4 0 *********** SCCC-pro-lys + 1 9.07982E-02 1.14370E+00 + 2 -2.90373E-01 -4.16148E-01 + 3 -4.75112E-02 -2.68886E-01 + 4 5.70155E-02 -1.21007E-02 +4 0 *********** SCCC-pro-pro + 1 1.24017E+00 3.27182E+00 + 2 -1.12460E-01 4.91637E-01 + 3 -2.82130E-01 -1.04332E-01 + 4 7.16332E-02 -3.05457E-01 +4 0 *********** CCCS-cys-cys + 1 -9.81529E-01 -4.99751E-01 + 2 -1.09644E-01 -1.41325E-01 + 3 1.66508E-01 -1.41587E-01 + 4 -4.39297E-02 9.10503E-02 +4 0 *********** CCCS-cys-met + 1 -6.99952E-01 -1.25466E-02 + 2 -2.85225E-01 1.14027E-01 + 3 6.25110E-02 -1.10927E-01 + 4 9.64240E-03 4.31923E-02 +4 0 *********** CCCS-cys-phe + 1 -7.96678E-01 7.62314E-03 + 2 -1.22507E-01 3.16194E-01 + 3 -9.63393E-02 -6.52523E-02 + 4 6.16694E-02 3.56698E-02 +4 0 *********** CCCS-cys-ile + 1 -8.79423E-01 -5.23081E-02 + 2 -4.10713E-01 1.40084E-01 + 3 7.18166E-02 -1.91023E-01 + 4 -6.05884E-03 3.82424E-02 +4 0 *********** CCCS-cys-leu + 1 -5.81163E-01 2.21705E-01 + 2 -4.81013E-01 3.58596E-01 + 3 5.49719E-03 -8.37178E-02 + 4 -9.77924E-03 1.48720E-02 +4 0 *********** CCCS-cys-val + 1 -7.84291E-01 -2.84432E-03 + 2 -4.57495E-01 1.99446E-01 + 3 7.75864E-02 -1.60314E-01 + 4 5.15416E-03 3.40983E-02 +4 0 *********** CCCS-cys-trp + 1 -8.29444E-01 4.82686E-02 + 2 -1.53370E-01 2.12974E-01 + 3 -6.19886E-02 -9.43079E-02 + 4 5.74415E-02 3.56113E-02 +4 0 *********** CCCS-cys-tyr + 1 -7.86153E-01 1.26779E-02 + 2 -1.02654E-01 2.97115E-01 + 3 -9.95401E-02 -6.43182E-02 + 4 7.04470E-02 4.13411E-02 +4 0 *********** CCCS-cys-ala + 1 -5.17854E-01 7.94199E-03 + 2 -5.79857E-01 -2.26360E-01 + 3 1.02776E-01 -3.73167E-02 + 4 -7.85419E-03 -2.22182E-02 +4 0 *********** CCCS-cys-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-cys-thr + 1 -8.30177E-01 -3.53848E-02 + 2 -3.94740E-01 -2.22237E-03 + 3 7.19076E-02 -1.22610E-01 + 4 -7.73690E-03 1.97299E-02 +4 0 *********** CCCS-cys-ser + 1 -1.11675E+00 -9.04310E-01 + 2 7.00369E-03 -1.63392E-01 + 3 1.63316E-01 -1.70663E-01 + 4 -6.93816E-02 2.63151E-02 +4 0 *********** CCCS-cys-gln + 1 -8.54563E-01 -1.07630E-01 + 2 -1.87343E-01 -9.34115E-02 + 3 -5.30520E-02 -1.16920E-01 + 4 1.54047E-02 5.70308E-02 +4 0 *********** CCCS-cys-asn + 1 -9.28088E-01 -6.02095E-01 + 2 6.86611E-02 -2.44584E-01 + 3 6.24537E-02 -7.51201E-02 + 4 3.79455E-03 6.64844E-02 +4 0 *********** CCCS-cys-glu + 1 -9.51407E-01 -6.55904E-02 + 2 -2.34702E-01 -7.11047E-03 + 3 -5.47458E-02 -1.46273E-01 + 4 2.51454E-02 3.57427E-02 +4 0 *********** CCCS-cys-asp + 1 -1.01534E+00 -7.17179E-01 + 2 9.03379E-03 -2.23320E-01 + 3 9.16158E-02 -5.34428E-02 + 4 8.89365E-03 4.84009E-02 +4 0 *********** CCCS-cys-his + 1 -9.54598E-01 -5.73454E-01 + 2 1.16190E-01 -1.27483E-01 + 3 1.71071E-01 -1.29127E-01 + 4 -2.06691E-02 2.05881E-03 +4 0 *********** CCCS-cys-arg + 1 -6.59082E-01 1.28634E-01 + 2 -2.34765E-01 2.44536E-01 + 3 -2.41314E-02 -9.57468E-02 + 4 -7.47069E-03 1.40142E-02 +4 0 *********** CCCS-cys-lys + 1 -5.54585E-01 1.93256E-01 + 2 -3.58461E-01 2.39395E-01 + 3 5.44631E-02 -7.44114E-02 + 4 5.48193E-03 1.04960E-02 +4 0 *********** CCCS-cys-pro + 1 -1.57268E+00 -7.21704E-01 + 2 -4.01256E-02 5.03049E-02 + 3 -4.96014E-02 -4.51269E-01 + 4 -9.56046E-02 1.16484E-01 +4 0 *********** CCCS-met-cys + 1 -8.66203E-01 -4.35658E-01 + 2 7.94597E-02 -4.44697E-02 + 3 9.94323E-02 -1.10620E-01 + 4 -8.77444E-04 3.10846E-02 +4 0 *********** CCCS-met-met + 1 -6.13072E-01 2.17128E-02 + 2 -1.48139E-01 -1.24288E-02 + 3 2.29492E-02 -5.93085E-02 + 4 -9.03098E-03 4.49343E-02 +4 0 *********** CCCS-met-phe + 1 -6.58045E-01 8.08007E-02 + 2 -8.59951E-02 1.04368E-01 + 3 -1.01504E-01 -3.30910E-02 + 4 5.29134E-02 5.26243E-02 +4 0 *********** CCCS-met-ile + 1 -7.69788E-01 1.00031E-02 + 2 -1.68608E-01 -3.98670E-02 + 3 1.35835E-02 -1.08701E-01 + 4 -3.93300E-02 3.99990E-02 +4 0 *********** CCCS-met-leu + 1 -5.35859E-01 2.37305E-01 + 2 -3.01175E-01 7.29295E-02 + 3 -1.45616E-02 -3.71859E-02 + 4 -2.09997E-02 8.33643E-02 +4 0 *********** CCCS-met-val + 1 -6.85812E-01 6.09897E-02 + 2 -2.24886E-01 -1.19862E-02 + 3 1.67065E-02 -8.80205E-02 + 4 -3.09468E-02 6.03288E-02 +4 0 *********** CCCS-met-trp + 1 -7.04443E-01 9.44303E-02 + 2 -8.35085E-02 3.90069E-02 + 3 -6.82070E-02 -4.74457E-02 + 4 3.89369E-02 4.52790E-02 +4 0 *********** CCCS-met-tyr + 1 -6.48983E-01 7.76534E-02 + 2 -7.60514E-02 1.00872E-01 + 3 -9.86517E-02 -3.30396E-02 + 4 5.61998E-02 5.41831E-02 +4 0 *********** CCCS-met-ala + 1 -4.83644E-01 -5.25651E-03 + 2 -2.57531E-01 -2.26794E-01 + 3 5.53271E-02 -1.77366E-02 + 4 -6.24025E-02 -6.47984E-02 +4 0 *********** CCCS-met-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-met-thr + 1 -7.50182E-01 -7.13862E-03 + 2 -1.48158E-01 -9.85241E-02 + 3 1.94110E-02 -7.67674E-02 + 4 -4.58864E-02 1.16702E-02 +4 0 *********** CCCS-met-ser + 1 -1.07466E+00 -7.84380E-01 + 2 2.10572E-01 1.30160E-01 + 3 1.52089E-01 -2.05490E-01 + 4 -2.60098E-03 2.08907E-02 +4 0 *********** CCCS-met-gln + 1 -7.74784E-01 -9.34274E-02 + 2 -2.29268E-02 -1.00496E-01 + 3 -3.94836E-02 -1.04385E-01 + 4 -1.86197E-02 2.35040E-02 +4 0 *********** CCCS-met-asn + 1 -8.44036E-01 -5.57180E-01 + 2 1.78936E-01 -2.85897E-02 + 3 6.62377E-02 -9.25476E-02 + 4 4.13624E-02 4.11267E-02 +4 0 *********** CCCS-met-glu + 1 -8.55736E-01 -3.94036E-02 + 2 -4.11801E-02 -8.11488E-02 + 3 -5.44869E-02 -1.09475E-01 + 4 -1.65591E-02 1.37735E-02 +4 0 *********** CCCS-met-asp + 1 -9.36592E-01 -6.29915E-01 + 2 1.82784E-01 9.07202E-03 + 3 7.49978E-02 -1.06031E-01 + 4 4.70710E-02 3.33531E-02 +4 0 *********** CCCS-met-his + 1 -8.21352E-01 -5.34210E-01 + 2 1.69094E-01 3.83050E-03 + 3 1.30048E-01 -7.46808E-02 + 4 4.58805E-02 -1.08123E-02 +4 0 *********** CCCS-met-arg + 1 -5.77822E-01 1.50675E-01 + 2 -1.54964E-01 6.02103E-02 + 3 -3.15758E-02 -4.90978E-02 + 4 -4.68353E-03 3.30582E-02 +4 0 *********** CCCS-met-lys + 1 -4.99865E-01 1.99580E-01 + 2 -2.33587E-01 4.70035E-02 + 3 1.86719E-02 -2.35417E-02 + 4 -4.26733E-03 4.46749E-02 +4 0 *********** CCCS-met-pro + 1 -1.57885E+00 -5.75661E-01 + 2 4.14501E-01 1.72252E-01 + 3 -1.15299E-01 -4.69122E-01 + 4 -4.85505E-02 7.85129E-02 +4 0 *********** CCCS-phe-cys + 1 -9.12821E-01 -3.77321E-01 + 2 5.08327E-02 -9.85651E-02 + 3 1.43259E-01 -1.00092E-01 + 4 -3.00755E-02 4.69906E-02 +4 0 *********** CCCS-phe-met + 1 -6.23026E-01 5.94970E-02 + 2 -1.77008E-01 -6.12113E-03 + 3 3.13060E-02 -7.63763E-02 + 4 -2.52265E-03 4.90769E-02 +4 0 *********** CCCS-phe-phe + 1 -6.64167E-01 1.14750E-01 + 2 -9.79301E-02 1.28721E-01 + 3 -1.13137E-01 -4.57718E-02 + 4 5.83560E-02 4.68812E-02 +4 0 *********** CCCS-phe-ile + 1 -7.81793E-01 6.96795E-02 + 2 -2.22359E-01 -3.45911E-02 + 3 2.71752E-02 -1.44893E-01 + 4 -2.01122E-02 5.20491E-02 +4 0 *********** CCCS-phe-leu + 1 -5.21894E-01 2.87467E-01 + 2 -3.41532E-01 1.18849E-01 + 3 -3.47587E-02 -5.97313E-02 + 4 -9.43166E-03 6.08606E-02 +4 0 *********** CCCS-phe-val + 1 -6.92182E-01 1.14383E-01 + 2 -2.74014E-01 3.81588E-03 + 3 2.32172E-02 -1.21091E-01 + 4 -1.19473E-02 6.27734E-02 +4 0 *********** CCCS-phe-trp + 1 -7.10971E-01 1.34770E-01 + 2 -1.05461E-01 5.39577E-02 + 3 -7.20510E-02 -6.44354E-02 + 4 4.74478E-02 4.36588E-02 +4 0 *********** CCCS-phe-tyr + 1 -6.55805E-01 1.10372E-01 + 2 -8.64232E-02 1.23200E-01 + 3 -1.09276E-01 -4.46766E-02 + 4 6.11438E-02 4.92978E-02 +4 0 *********** CCCS-phe-ala + 1 -4.94923E-01 4.12141E-02 + 2 -3.17716E-01 -2.32467E-01 + 3 7.38477E-02 -4.18254E-02 + 4 -4.40483E-02 -4.39782E-02 +4 0 *********** CCCS-phe-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-phe-thr + 1 -7.64567E-01 5.15089E-02 + 2 -2.00158E-01 -1.03471E-01 + 3 3.79001E-02 -1.05455E-01 + 4 -3.12385E-02 2.81603E-02 +4 0 *********** CCCS-phe-ser + 1 -1.12981E+00 -7.16208E-01 + 2 1.91507E-01 4.50295E-02 + 3 1.90069E-01 -1.65163E-01 + 4 -3.93849E-02 9.87696E-03 +4 0 *********** CCCS-phe-gln + 1 -7.94613E-01 -4.34063E-02 + 2 -5.91753E-02 -1.15293E-01 + 3 -2.44069E-02 -1.20060E-01 + 4 -1.20418E-02 3.83564E-02 +4 0 *********** CCCS-phe-asn + 1 -8.98304E-01 -5.03805E-01 + 2 1.72085E-01 -9.29972E-02 + 3 9.05312E-02 -6.36999E-02 + 4 1.59051E-02 3.47806E-02 +4 0 *********** CCCS-phe-glu + 1 -8.71997E-01 1.95591E-02 + 2 -8.81181E-02 -8.83272E-02 + 3 -4.08957E-02 -1.37569E-01 + 4 -1.16297E-03 3.02536E-02 +4 0 *********** CCCS-phe-asp + 1 -9.94054E-01 -5.70525E-01 + 2 1.72008E-01 -6.27533E-02 + 3 1.05089E-01 -7.20248E-02 + 4 1.66953E-02 2.56074E-02 +4 0 *********** CCCS-phe-his + 1 -8.75873E-01 -4.84068E-01 + 2 1.65507E-01 -5.37154E-02 + 3 1.55029E-01 -5.28101E-02 + 4 1.71628E-02 -1.43560E-02 +4 0 *********** CCCS-phe-arg + 1 -5.76788E-01 1.88733E-01 + 2 -1.78800E-01 8.30768E-02 + 3 -3.94017E-02 -6.62495E-02 + 4 2.87128E-03 2.73581E-02 +4 0 *********** CCCS-phe-lys + 1 -4.94552E-01 2.37310E-01 + 2 -2.61761E-01 7.37263E-02 + 3 1.27529E-02 -3.97466E-02 + 4 2.80516E-03 3.62896E-02 +4 0 *********** CCCS-phe-pro + 1 -1.58954E+00 -4.98158E-01 + 2 3.17655E-01 1.36275E-01 + 3 -3.54154E-02 -4.99251E-01 + 4 -9.54859E-02 1.19848E-01 +4 0 *********** CCCS-ile-cys + 1 -7.99072E-01 -5.88558E-01 + 2 1.23647E-01 -3.55532E-03 + 3 4.75751E-02 -8.07983E-02 + 4 1.51485E-02 -1.48954E-03 +4 0 *********** CCCS-ile-met + 1 -6.12852E-01 -8.96823E-02 + 2 -1.25015E-01 -4.06714E-02 + 3 2.90473E-02 -1.99685E-02 + 4 -1.74554E-02 3.34820E-02 +4 0 *********** CCCS-ile-phe + 1 -6.67701E-01 -3.50544E-02 + 2 -1.10110E-01 7.16807E-02 + 3 -5.44385E-02 -2.49255E-02 + 4 3.62755E-02 5.45292E-02 +4 0 *********** CCCS-ile-ile + 1 -7.70788E-01 -1.34307E-01 + 2 -1.27139E-01 -8.17419E-02 + 3 2.84869E-02 -4.30272E-02 + 4 -5.56717E-02 2.66720E-02 +4 0 *********** CCCS-ile-leu + 1 -5.80727E-01 1.31484E-01 + 2 -3.01341E-01 -1.90859E-02 + 3 3.30606E-02 -1.28841E-02 + 4 -1.60604E-02 9.24141E-02 +4 0 *********** CCCS-ile-val + 1 -6.94111E-01 -7.08022E-02 + 2 -1.94394E-01 -6.79855E-02 + 3 3.72644E-02 -2.84876E-02 + 4 -4.27067E-02 5.25059E-02 +4 0 *********** CCCS-ile-trp + 1 -7.17546E-01 -2.94128E-02 + 2 -8.09592E-02 1.46264E-02 + 3 -3.45915E-02 -2.71973E-02 + 4 2.06150E-02 4.58232E-02 +4 0 *********** CCCS-ile-tyr + 1 -6.57428E-01 -3.53664E-02 + 2 -9.94968E-02 7.16473E-02 + 3 -5.42507E-02 -2.56544E-02 + 4 3.84820E-02 5.48977E-02 +4 0 *********** CCCS-ile-ala + 1 -4.76455E-01 -1.00541E-01 + 2 -1.74184E-01 -2.85022E-01 + 3 3.73976E-02 3.22917E-02 + 4 -7.65591E-02 -6.07851E-02 +4 0 *********** CCCS-ile-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-ile-thr + 1 -7.47386E-01 -1.46975E-01 + 2 -9.51584E-02 -1.29410E-01 + 3 1.91541E-02 -1.92006E-02 + 4 -5.86822E-02 -1.65503E-03 +4 0 *********** CCCS-ile-ser + 1 -9.94110E-01 -9.71102E-01 + 2 2.52325E-01 2.10757E-01 + 3 1.03093E-01 -2.16366E-01 + 4 1.74220E-02 8.41007E-03 +4 0 *********** CCCS-ile-gln + 1 -7.57305E-01 -2.28078E-01 + 2 2.23368E-02 -1.03830E-01 + 3 -3.93002E-02 -6.68295E-02 + 4 -3.18245E-02 1.14887E-02 +4 0 *********** CCCS-ile-asn + 1 -7.61152E-01 -7.05377E-01 + 2 2.10926E-01 3.89055E-02 + 3 2.44067E-02 -1.02457E-01 + 4 5.35503E-02 3.20461E-02 +4 0 *********** CCCS-ile-glu + 1 -8.50983E-01 -1.89340E-01 + 2 5.54311E-03 -9.61889E-02 + 3 -4.10803E-02 -6.16716E-02 + 4 -3.77471E-02 5.80756E-03 +4 0 *********** CCCS-ile-asp + 1 -8.52091E-01 -7.95489E-01 + 2 2.15112E-01 8.00541E-02 + 3 2.82425E-02 -1.16007E-01 + 4 6.29191E-02 2.54734E-02 +4 0 *********** CCCS-ile-his + 1 -7.46169E-01 -6.79484E-01 + 2 1.93835E-01 7.73916E-02 + 3 9.23711E-02 -7.77609E-02 + 4 5.89622E-02 -2.07259E-02 +4 0 *********** CCCS-ile-arg + 1 -6.03530E-01 4.49668E-02 + 2 -1.50381E-01 1.57574E-02 + 3 1.94766E-03 -2.86723E-02 + 4 -9.81849E-03 3.56490E-02 +4 0 *********** CCCS-ile-lys + 1 -5.32611E-01 1.04805E-01 + 2 -2.25289E-01 -1.27024E-02 + 3 4.20610E-02 3.97173E-05 + 4 -5.82282E-03 4.52674E-02 +4 0 *********** CCCS-ile-pro + 1 -1.66140E+00 -8.34673E-01 + 2 5.62777E-01 2.67693E-01 + 3 -1.53787E-01 -4.90724E-01 + 4 -7.63610E-02 1.03160E-01 +4 0 *********** CCCS-leu-cys + 1 -8.83472E-01 -3.69309E-01 + 2 1.30546E-01 -8.87150E-02 + 3 1.24376E-01 -7.94938E-02 + 4 -1.34697E-02 2.23745E-02 +4 0 *********** CCCS-leu-met + 1 -6.01407E-01 6.00353E-02 + 2 -1.49399E-01 -6.36190E-02 + 3 2.99718E-02 -6.02270E-02 + 4 -1.27417E-02 5.22786E-02 +4 0 *********** CCCS-leu-phe + 1 -6.27773E-01 1.18058E-01 + 2 -1.11521E-01 5.87123E-02 + 3 -1.10639E-01 -4.50077E-02 + 4 5.50946E-02 5.85454E-02 +4 0 *********** CCCS-leu-ile + 1 -7.59421E-01 7.79081E-02 + 2 -1.70199E-01 -1.16861E-01 + 3 3.22644E-02 -1.19301E-01 + 4 -4.07583E-02 5.36117E-02 +4 0 *********** CCCS-leu-leu + 1 -5.18840E-01 2.89879E-01 + 2 -3.31220E-01 8.23065E-03 + 3 -2.64552E-02 -5.21540E-02 + 4 -1.59381E-02 9.00404E-02 +4 0 *********** CCCS-leu-val + 1 -6.73797E-01 1.23189E-01 + 2 -2.32712E-01 -8.68288E-02 + 3 2.67392E-02 -9.91950E-02 + 4 -3.09881E-02 7.45260E-02 +4 0 *********** CCCS-leu-trp + 1 -6.79078E-01 1.33816E-01 + 2 -1.03038E-01 -9.55088E-03 + 3 -6.76500E-02 -5.67908E-02 + 4 3.96792E-02 5.27205E-02 +4 0 *********** CCCS-leu-tyr + 1 -6.19580E-01 1.12348E-01 + 2 -1.00853E-01 5.77271E-02 + 3 -1.06287E-01 -4.38666E-02 + 4 5.70379E-02 6.01592E-02 +4 0 *********** CCCS-leu-ala + 1 -4.92916E-01 3.87462E-02 + 2 -2.21693E-01 -2.82741E-01 + 3 6.98050E-02 -2.62396E-02 + 4 -6.80469E-02 -6.42838E-02 +4 0 *********** CCCS-leu-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-leu-thr + 1 -7.48126E-01 5.36400E-02 + 2 -1.36944E-01 -1.66974E-01 + 3 3.79913E-02 -8.60512E-02 + 4 -5.13726E-02 2.28052E-02 +4 0 *********** CCCS-leu-ser + 1 -1.15042E+00 -7.04513E-01 + 2 3.26201E-01 1.12553E-01 + 3 1.49148E-01 -1.77258E-01 + 4 1.05327E-02 1.48867E-02 +4 0 *********** CCCS-leu-gln + 1 -7.72562E-01 -4.87872E-02 + 2 -4.88318E-03 -1.43881E-01 + 3 -1.59783E-02 -1.17718E-01 + 4 -2.80108E-02 2.86915E-02 +4 0 *********** CCCS-leu-asn + 1 -8.87326E-01 -5.02879E-01 + 2 2.51793E-01 -3.85589E-02 + 3 7.67035E-02 -6.57596E-02 + 4 4.15438E-02 2.99316E-02 +4 0 *********** CCCS-leu-glu + 1 -8.47484E-01 1.78466E-02 + 2 -3.32501E-02 -1.40402E-01 + 3 -3.12201E-02 -1.26185E-01 + 4 -2.13970E-02 2.31718E-02 +4 0 *********** CCCS-leu-asp + 1 -9.93265E-01 -5.60702E-01 + 2 2.77596E-01 -1.04388E-02 + 3 7.34092E-02 -7.85378E-02 + 4 5.41183E-02 2.29368E-02 +4 0 *********** CCCS-leu-his + 1 -8.46472E-01 -4.84671E-01 + 2 2.20827E-01 -1.54265E-02 + 3 1.43643E-01 -3.01633E-02 + 4 4.99535E-02 -2.51100E-02 +4 0 *********** CCCS-leu-arg + 1 -5.57785E-01 1.85912E-01 + 2 -1.76423E-01 1.42674E-02 + 3 -3.34123E-02 -5.84849E-02 + 4 -1.83894E-05 3.72004E-02 +4 0 *********** CCCS-leu-lys + 1 -4.86399E-01 2.34143E-01 + 2 -2.51865E-01 -3.85145E-03 + 3 1.29808E-02 -2.60015E-02 + 4 -1.91373E-03 5.05694E-02 +4 0 *********** CCCS-leu-pro + 1 -1.67903E+00 -4.70773E-01 + 2 5.54447E-01 8.50613E-02 + 3 -1.34828E-01 -4.71213E-01 + 4 -2.44529E-02 7.41320E-02 +4 0 *********** CCCS-val-cys + 1 -8.11321E-01 -5.17223E-01 + 2 1.51724E-01 -1.99653E-02 + 3 6.31270E-02 -6.52135E-02 + 4 5.14056E-03 -1.25929E-03 +4 0 *********** CCCS-val-met + 1 -6.01096E-01 -4.45278E-02 + 2 -1.13496E-01 -6.61089E-02 + 3 3.02441E-02 -2.41046E-02 + 4 -1.84852E-02 3.38525E-02 +4 0 *********** CCCS-val-phe + 1 -6.42676E-01 1.42475E-02 + 2 -1.06398E-01 4.14502E-02 + 3 -6.27418E-02 -3.39537E-02 + 4 3.33549E-02 5.44284E-02 +4 0 *********** CCCS-val-ile + 1 -7.58454E-01 -6.72337E-02 + 2 -1.10880E-01 -1.16333E-01 + 3 3.27005E-02 -5.39716E-02 + 4 -5.04593E-02 2.90219E-02 +4 0 *********** CCCS-val-leu + 1 -5.60959E-01 1.79672E-01 + 2 -2.92865E-01 -4.58013E-02 + 3 1.71482E-02 -2.37541E-02 + 4 -1.52076E-02 8.04829E-02 +4 0 *********** CCCS-val-val + 1 -6.80817E-01 -9.47510E-03 + 2 -1.78723E-01 -1.00930E-01 + 3 3.64941E-02 -4.04977E-02 + 4 -3.93449E-02 5.11311E-02 +4 0 *********** CCCS-val-trp + 1 -6.93612E-01 2.05325E-02 + 2 -7.83321E-02 -1.61338E-02 + 3 -3.68244E-02 -3.41858E-02 + 4 1.92010E-02 4.64430E-02 +4 0 *********** CCCS-val-tyr + 1 -6.32868E-01 1.15912E-02 + 2 -9.66461E-02 4.26149E-02 + 3 -6.11962E-02 -3.36105E-02 + 4 3.45472E-02 5.48246E-02 +4 0 *********** CCCS-val-ala + 1 -4.80804E-01 -6.01286E-02 + 2 -1.51599E-01 -2.89045E-01 + 3 4.55108E-02 1.82308E-02 + 4 -6.30640E-02 -5.31570E-02 +4 0 *********** CCCS-val-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-val-thr + 1 -7.41105E-01 -8.58838E-02 + 2 -7.65292E-02 -1.56129E-01 + 3 2.61954E-02 -3.03294E-02 + 4 -5.35762E-02 3.18180E-03 +4 0 *********** CCCS-val-ser + 1 -1.03479E+00 -8.80148E-01 + 2 2.99630E-01 2.10209E-01 + 3 1.08220E-01 -1.97563E-01 + 4 1.03976E-02 1.23403E-02 +4 0 *********** CCCS-val-gln + 1 -7.52281E-01 -1.75271E-01 + 2 3.61440E-02 -1.19884E-01 + 3 -2.25685E-02 -7.45521E-02 + 4 -3.14194E-02 1.38717E-02 +4 0 *********** CCCS-val-asn + 1 -7.89163E-01 -6.41908E-01 + 2 2.38744E-01 3.99889E-02 + 3 3.67868E-02 -8.34565E-02 + 4 4.36729E-02 2.55220E-02 +4 0 *********** CCCS-val-glu + 1 -8.39244E-01 -1.26711E-01 + 2 1.81508E-02 -1.21894E-01 + 3 -2.83981E-02 -7.34440E-02 + 4 -3.31335E-02 1.08919E-02 +4 0 *********** CCCS-val-asp + 1 -8.85374E-01 -7.18477E-01 + 2 2.56118E-01 7.91874E-02 + 3 3.64225E-02 -1.01706E-01 + 4 5.26699E-02 2.33682E-02 +4 0 *********** CCCS-val-his + 1 -7.62378E-01 -6.17991E-01 + 2 2.12535E-01 6.59066E-02 + 3 9.61069E-02 -5.06113E-02 + 4 5.03004E-02 -2.14882E-02 +4 0 *********** CCCS-val-arg + 1 -5.82822E-01 8.66612E-02 + 2 -1.48760E-01 -1.05968E-02 + 3 -3.89609E-03 -3.52453E-02 + 4 -6.76220E-03 3.38389E-02 +4 0 *********** CCCS-val-lys + 1 -5.15770E-01 1.41804E-01 + 2 -2.18761E-01 -3.71672E-02 + 3 3.18685E-02 -4.50041E-03 + 4 -6.12151E-03 4.17786E-02 +4 0 *********** CCCS-val-pro + 1 -1.69771E+00 -7.30645E-01 + 2 6.21176E-01 2.56416E-01 + 3 -1.48812E-01 -5.14417E-01 + 4 -7.45039E-02 1.45455E-01 +4 0 *********** CCCS-trp-cys + 1 -8.77762E-01 -4.48673E-01 + 2 1.40893E-02 -6.78055E-02 + 3 1.30039E-01 -1.09771E-01 + 4 -2.48853E-02 4.66347E-02 +4 0 *********** CCCS-trp-met + 1 -6.30061E-01 1.32246E-02 + 2 -1.77339E-01 2.36419E-02 + 3 3.20545E-02 -7.16448E-02 + 4 -3.91275E-03 4.19304E-02 +4 0 *********** CCCS-trp-phe + 1 -6.85702E-01 6.67469E-02 + 2 -8.95124E-02 1.59155E-01 + 3 -9.94553E-02 -4.30629E-02 + 4 4.97309E-02 4.48958E-02 +4 0 *********** CCCS-trp-ile + 1 -7.87149E-01 -4.93625E-03 + 2 -2.22227E-01 1.19320E-02 + 3 2.44076E-02 -1.31783E-01 + 4 -2.27316E-02 3.93693E-02 +4 0 *********** CCCS-trp-leu + 1 -5.40530E-01 2.29644E-01 + 2 -3.27799E-01 1.50827E-01 + 3 -1.96314E-02 -4.78857E-02 + 4 -1.73037E-02 5.22990E-02 +4 0 *********** CCCS-trp-val + 1 -7.01424E-01 4.61020E-02 + 2 -2.71200E-01 4.65081E-02 + 3 2.58690E-02 -1.07495E-01 + 4 -1.61709E-02 4.94049E-02 +4 0 *********** CCCS-trp-trp + 1 -7.28796E-01 8.42478E-02 + 2 -9.68316E-02 8.60848E-02 + 3 -6.51644E-02 -6.08109E-02 + 4 4.07017E-02 4.06057E-02 +4 0 *********** CCCS-trp-tyr + 1 -6.76477E-01 6.48958E-02 + 2 -7.80312E-02 1.52082E-01 + 3 -9.69848E-02 -4.24221E-02 + 4 5.31404E-02 4.74066E-02 +4 0 *********** CCCS-trp-ala + 1 -4.85783E-01 -6.57016E-03 + 2 -3.34110E-01 -2.08892E-01 + 3 6.33967E-02 -2.88700E-02 + 4 -3.46260E-02 -4.54350E-02 +4 0 *********** CCCS-trp-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-trp-thr + 1 -7.62215E-01 -1.66209E-02 + 2 -2.05828E-01 -6.25774E-02 + 3 3.09343E-02 -9.31738E-02 + 4 -2.80790E-02 1.68598E-02 +4 0 *********** CCCS-trp-ser + 1 -1.03154E+00 -7.94259E-01 + 2 1.02630E-01 4.54645E-02 + 3 1.91038E-01 -1.62561E-01 + 4 -3.94659E-02 3.14862E-03 +4 0 *********** CCCS-trp-gln + 1 -7.87206E-01 -9.82181E-02 + 2 -7.02570E-02 -8.76610E-02 + 3 -3.43813E-02 -1.09824E-01 + 4 -7.50564E-03 3.42076E-02 +4 0 *********** CCCS-trp-asn + 1 -8.38710E-01 -5.63729E-01 + 2 1.18971E-01 -8.41619E-02 + 3 8.62810E-02 -7.55688E-02 + 4 1.21475E-02 4.06533E-02 +4 0 *********** CCCS-trp-glu + 1 -8.70081E-01 -4.81074E-02 + 2 -9.38332E-02 -4.96216E-02 + 3 -4.83154E-02 -1.25695E-01 + 4 1.54378E-04 2.43171E-02 +4 0 *********** CCCS-trp-asp + 1 -9.21223E-01 -6.43630E-01 + 2 1.00987E-01 -4.96197E-02 + 3 1.07722E-01 -8.08610E-02 + 4 1.17774E-02 2.99547E-02 +4 0 *********** CCCS-trp-his + 1 -8.31417E-01 -5.39018E-01 + 2 1.27308E-01 -3.60611E-02 + 3 1.50432E-01 -7.61718E-02 + 4 1.07643E-02 -5.57927E-03 +4 0 *********** CCCS-trp-arg + 1 -5.93732E-01 1.45068E-01 + 2 -1.68473E-01 1.09384E-01 + 3 -3.23216E-02 -6.11325E-02 + 4 -2.80306E-03 2.38843E-02 +4 0 *********** CCCS-trp-lys + 1 -5.08905E-01 1.95584E-01 + 2 -2.53051E-01 9.98052E-02 + 3 2.09620E-02 -3.54569E-02 + 4 -2.35324E-03 2.99840E-02 +4 0 *********** CCCS-trp-pro + 1 -1.44668E+00 -5.89494E-01 + 2 1.83382E-01 1.54639E-01 + 3 -5.66479E-03 -4.45790E-01 + 4 -9.42532E-02 7.55533E-02 +4 0 *********** CCCS-tyr-cys + 1 -9.09006E-01 -3.79759E-01 + 2 4.91124E-02 -9.52209E-02 + 3 1.43726E-01 -1.01207E-01 + 4 -2.96906E-02 4.71193E-02 +4 0 *********** CCCS-tyr-met + 1 -6.22207E-01 5.78449E-02 + 2 -1.75559E-01 -5.22250E-03 + 3 3.06699E-02 -7.62937E-02 + 4 -2.83009E-03 4.88203E-02 +4 0 *********** CCCS-tyr-phe + 1 -6.63789E-01 1.13326E-01 + 2 -9.63951E-02 1.28701E-01 + 3 -1.13383E-01 -4.57057E-02 + 4 5.77765E-02 4.72835E-02 +4 0 *********** CCCS-tyr-ile + 1 -7.80595E-01 6.65728E-02 + 2 -2.19900E-01 -3.24672E-02 + 3 2.60002E-02 -1.44710E-01 + 4 -2.05834E-02 5.11673E-02 +4 0 *********** CCCS-tyr-leu + 1 -5.21881E-01 2.84544E-01 + 2 -3.38132E-01 1.18754E-01 + 3 -3.51877E-02 -5.87236E-02 + 4 -1.08133E-02 6.11789E-02 +4 0 *********** CCCS-tyr-val + 1 -6.91368E-01 1.11588E-01 + 2 -2.71285E-01 5.22627E-03 + 3 2.21618E-02 -1.20641E-01 + 4 -1.27789E-02 6.21999E-02 +4 0 *********** CCCS-tyr-trp + 1 -7.10331E-01 1.32960E-01 + 2 -1.03873E-01 5.44967E-02 + 3 -7.25142E-02 -6.43234E-02 + 4 4.69414E-02 4.37841E-02 +4 0 *********** CCCS-tyr-tyr + 1 -6.55384E-01 1.09023E-01 + 2 -8.50300E-02 1.23183E-01 + 3 -1.09497E-01 -4.46240E-02 + 4 6.06009E-02 4.96820E-02 +4 0 *********** CCCS-tyr-ala + 1 -4.93753E-01 3.88784E-02 + 2 -3.15706E-01 -2.29990E-01 + 3 7.28305E-02 -4.18762E-02 + 4 -4.38649E-02 -4.54387E-02 +4 0 *********** CCCS-tyr-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-tyr-thr + 1 -7.63070E-01 4.85054E-02 + 2 -1.98173E-01 -1.00968E-01 + 3 3.67143E-02 -1.05619E-01 + 4 -3.12982E-02 2.71395E-02 +4 0 *********** CCCS-tyr-ser + 1 -1.12069E+00 -7.18785E-01 + 2 1.83787E-01 4.83379E-02 + 3 1.94718E-01 -1.64962E-01 + 4 -4.05226E-02 9.58595E-03 +4 0 *********** CCCS-tyr-gln + 1 -7.92835E-01 -4.56580E-02 + 2 -5.84674E-02 -1.12935E-01 + 3 -2.47702E-02 -1.20699E-01 + 4 -1.19943E-02 3.78514E-02 +4 0 *********** CCCS-tyr-asn + 1 -8.92656E-01 -5.05654E-01 + 2 1.67840E-01 -9.02306E-02 + 3 9.28662E-02 -6.45290E-02 + 4 1.52571E-02 3.55943E-02 +4 0 *********** CCCS-tyr-glu + 1 -8.70245E-01 1.66227E-02 + 2 -8.67099E-02 -8.56785E-02 + 3 -4.16259E-02 -1.38101E-01 + 4 -1.21162E-03 2.96354E-02 +4 0 *********** CCCS-tyr-asp + 1 -9.87024E-01 -5.72803E-01 + 2 1.66527E-01 -5.94872E-02 + 3 1.08314E-01 -7.30065E-02 + 4 1.55906E-02 2.64798E-02 +4 0 *********** CCCS-tyr-his + 1 -8.70789E-01 -4.85639E-01 + 2 1.61844E-01 -5.15013E-02 + 3 1.56654E-01 -5.32494E-02 + 4 1.71858E-02 -1.36583E-02 +4 0 *********** CCCS-tyr-arg + 1 -5.76451E-01 1.86974E-01 + 2 -1.77028E-01 8.31900E-02 + 3 -3.97542E-02 -6.58250E-02 + 4 2.32992E-03 2.74026E-02 +4 0 *********** CCCS-tyr-lys + 1 -4.94302E-01 2.35360E-01 + 2 -2.59575E-01 7.37574E-02 + 3 1.22432E-02 -3.91132E-02 + 4 2.12332E-03 3.63422E-02 +4 0 *********** CCCS-tyr-pro + 1 -1.57814E+00 -5.05783E-01 + 2 3.10335E-01 1.45772E-01 + 3 -2.88148E-02 -5.03989E-01 + 4 -9.96755E-02 1.20665E-01 +4 0 *********** CCCS-ala-cys + 1 -8.23119E-01 -2.98213E-01 + 2 1.01944E-01 -3.12124E-02 + 3 1.11175E-01 -1.12750E-01 + 4 8.21128E-03 2.89820E-02 +4 0 *********** CCCS-ala-met + 1 -5.58872E-01 1.00798E-01 + 2 -9.75431E-02 -3.76572E-02 + 3 -8.93879E-04 -6.04168E-02 + 4 -5.95098E-03 4.35541E-02 +4 0 *********** CCCS-ala-phe + 1 -5.82985E-01 1.69299E-01 + 2 -4.93783E-02 4.21883E-02 + 3 -1.23128E-01 -2.01764E-02 + 4 5.47857E-02 4.91434E-02 +4 0 *********** CCCS-ala-ile + 1 -7.07307E-01 1.12039E-01 + 2 -9.73446E-02 -6.42191E-02 + 3 -1.97691E-02 -1.14987E-01 + 4 -3.33150E-02 3.53489E-02 +4 0 *********** CCCS-ala-leu + 1 -4.77868E-01 2.92749E-01 + 2 -2.15940E-01 2.53932E-02 + 3 -5.38848E-02 -2.48878E-02 + 4 -2.48870E-02 8.98947E-02 +4 0 *********** CCCS-ala-val + 1 -6.27675E-01 1.52286E-01 + 2 -1.45924E-01 -4.27431E-02 + 3 -2.12772E-02 -9.07665E-02 + 4 -2.87085E-02 5.83967E-02 +4 0 *********** CCCS-ala-trp + 1 -6.25869E-01 1.79848E-01 + 2 -5.04153E-02 -8.97269E-03 + 3 -8.73481E-02 -3.76793E-02 + 4 3.99514E-02 3.98532E-02 +4 0 *********** CCCS-ala-tyr + 1 -5.73991E-01 1.63445E-01 + 2 -4.37848E-02 4.09536E-02 + 3 -1.17701E-01 -2.02245E-02 + 4 5.77646E-02 5.01472E-02 +4 0 *********** CCCS-ala-ala + 1 -4.56331E-01 4.60183E-02 + 2 -1.76124E-01 -1.66119E-01 + 3 4.46991E-02 -4.74663E-02 + 4 -5.96800E-02 -5.29220E-02 +4 0 *********** CCCS-ala-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-ala-thr + 1 -6.95288E-01 8.55479E-02 + 2 -8.20308E-02 -1.00411E-01 + 3 -5.82995E-03 -9.47505E-02 + 4 -4.27445E-02 1.02087E-02 +4 0 *********** CCCS-ala-ser + 1 -1.00835E+00 -5.95504E-01 + 2 1.93668E-01 1.39001E-01 + 3 1.94025E-01 -1.73473E-01 + 4 -1.09209E-03 6.13657E-03 +4 0 *********** CCCS-ala-gln + 1 -7.19265E-01 -1.05762E-03 + 2 1.15061E-02 -9.06152E-02 + 3 -3.77212E-02 -1.21326E-01 + 4 -1.76413E-02 1.76405E-02 +4 0 *********** CCCS-ala-asn + 1 -8.10659E-01 -4.23361E-01 + 2 1.67923E-01 1.70979E-03 + 3 1.05131E-01 -8.22832E-02 + 4 3.91616E-02 3.28299E-02 +4 0 *********** CCCS-ala-glu + 1 -7.84610E-01 6.15637E-02 + 2 1.32832E-03 -8.67880E-02 + 3 -6.37268E-02 -1.23711E-01 + 4 -1.43390E-02 7.42007E-03 +4 0 *********** CCCS-ala-asp + 1 -8.93182E-01 -4.73106E-01 + 2 1.79835E-01 3.43482E-02 + 3 1.14421E-01 -9.97471E-02 + 4 4.01887E-02 2.70028E-02 +4 0 *********** CCCS-ala-his + 1 -7.73834E-01 -4.02384E-01 + 2 1.48911E-01 7.25476E-03 + 3 1.51588E-01 -4.98250E-02 + 4 5.04625E-02 -1.63792E-02 +4 0 *********** CCCS-ala-arg + 1 -5.12065E-01 2.16366E-01 + 2 -1.12670E-01 1.55364E-02 + 3 -5.43212E-02 -3.82911E-02 + 4 -3.41771E-03 3.40400E-02 +4 0 *********** CCCS-ala-lys + 1 -4.43114E-01 2.49535E-01 + 2 -1.72275E-01 9.35242E-03 + 3 -1.23287E-02 -1.35432E-02 + 4 -5.90737E-03 4.85906E-02 +4 0 *********** CCCS-ala-pro + 1 -1.31202E+00 -3.46891E-01 + 2 3.15762E-01 9.73094E-02 + 3 -2.67777E-02 -4.03770E-01 + 4 -5.78122E-02 1.51256E-02 +4 0 *********** CCCS-gly-cys + 1 1.05530E+00 -2.71210E-01 + 2 -2.81933E-01 7.48024E-02 + 3 1.25272E-01 1.80323E-01 + 4 1.43032E-01 -5.75962E-02 +4 0 *********** CCCS-gly-met + 1 5.59661E-01 -4.30726E-01 + 2 1.59708E-02 3.21011E-01 + 3 1.41705E-01 5.97102E-02 + 4 6.16920E-03 -2.23828E-02 +4 0 *********** CCCS-gly-phe + 1 6.31592E-01 -4.93574E-01 + 2 2.94775E-01 2.32488E-01 + 3 8.39615E-02 -7.91540E-02 + 4 9.13991E-03 -2.63888E-02 +4 0 *********** CCCS-gly-ile + 1 7.12981E-01 -5.34709E-01 + 2 -1.27405E-02 5.03012E-01 + 3 2.43981E-01 5.88027E-02 + 4 -3.82917E-02 -2.25025E-02 +4 0 *********** CCCS-gly-leu + 1 3.09062E-01 -5.62007E-01 + 2 2.56275E-01 6.35740E-01 + 3 1.29028E-01 -3.73514E-02 + 4 -3.11769E-02 1.22591E-01 +4 0 *********** CCCS-gly-val + 1 6.23875E-01 -5.04248E-01 + 2 6.09769E-02 5.57747E-01 + 3 2.26979E-01 6.63831E-02 + 4 -4.14762E-02 1.60595E-02 +4 0 *********** CCCS-gly-trp + 1 6.24927E-01 -5.51690E-01 + 2 1.61460E-01 2.34716E-01 + 3 1.14487E-01 -5.02453E-02 + 4 -7.56294E-03 -3.44011E-02 +4 0 *********** CCCS-gly-tyr + 1 6.17606E-01 -4.90395E-01 + 2 2.79775E-01 2.04943E-01 + 3 7.73478E-02 -8.23004E-02 + 4 9.25598E-03 -4.02325E-02 +4 0 *********** CCCS-gly-ala + 1 3.79194E-01 -3.71425E-01 + 2 -4.16749E-01 5.89014E-01 + 3 1.03228E-01 1.14247E-01 + 4 -1.09076E-01 -9.45324E-02 +4 0 *********** CCCS-gly-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-gly-thr + 1 6.57016E-01 -5.23203E-01 + 2 -1.55691E-01 4.36606E-01 + 3 1.63097E-01 7.72411E-02 + 4 -5.08481E-02 -5.09956E-02 +4 0 *********** CCCS-gly-ser + 1 1.38111E+00 -7.82855E-02 + 2 -4.27476E-01 -9.10809E-02 + 3 4.91534E-02 1.05681E-01 + 4 2.23522E-01 -1.77805E-02 +4 0 *********** CCCS-gly-gln + 1 7.31678E-01 -4.64989E-01 + 2 -1.82075E-01 1.90454E-01 + 3 9.44762E-02 -1.36678E-02 + 4 -8.83443E-03 -7.23257E-02 +4 0 *********** CCCS-gly-asn + 1 1.10318E+00 -1.62883E-01 + 2 -3.33718E-01 -1.57769E-01 + 3 8.30386E-03 8.43924E-02 + 4 1.23489E-01 -1.06169E-02 +4 0 *********** CCCS-gly-glu + 1 7.71618E-01 -5.64459E-01 + 2 -1.20693E-01 2.82620E-01 + 3 1.39428E-01 -3.01628E-02 + 4 -4.97869E-02 -6.92910E-02 +4 0 *********** CCCS-gly-asp + 1 1.23444E+00 -1.45663E-01 + 2 -3.65504E-01 -1.04661E-01 + 3 -1.21221E-02 1.18730E-01 + 4 1.36505E-01 -1.49867E-02 +4 0 *********** CCCS-gly-his + 1 1.09895E+00 -2.02858E-01 + 2 -1.98594E-01 -1.80072E-01 + 3 9.81912E-02 1.20783E-01 + 4 1.24016E-01 1.69661E-03 +4 0 *********** CCCS-gly-arg + 1 4.39569E-01 -5.16540E-01 + 2 1.63975E-01 3.16742E-01 + 3 1.08828E-01 -4.63823E-02 + 4 -3.80107E-03 2.77407E-02 +4 0 *********** CCCS-gly-lys + 1 3.13346E-01 -5.05745E-01 + 2 1.34799E-01 4.28675E-01 + 3 1.08750E-01 2.69008E-02 + 4 -6.54716E-03 3.14417E-02 +4 0 *********** CCCS-gly-pro + 1 9.51272E-01 -2.20991E-01 + 2 -1.33605E-01 -2.03419E-01 + 3 9.40695E-02 4.48809E-01 + 4 -2.76656E-01 -6.75602E-01 +4 0 *********** CCCS-thr-cys + 1 -9.08281E-01 -3.01908E-01 + 2 1.22001E-01 -1.73580E-01 + 3 9.59156E-02 -5.68275E-02 + 4 -4.85807E-02 3.02211E-02 +4 0 *********** CCCS-thr-met + 1 -5.99276E-01 8.31179E-02 + 2 -1.73015E-01 -4.98070E-02 + 3 3.09270E-02 -4.60290E-02 + 4 1.14955E-02 4.59420E-02 +4 0 *********** CCCS-thr-phe + 1 -6.12939E-01 1.38964E-01 + 2 -1.40114E-01 8.16806E-02 + 3 -7.88300E-02 -1.33683E-02 + 4 5.48961E-02 1.08369E-02 +4 0 *********** CCCS-thr-ile + 1 -7.53367E-01 1.22220E-01 + 2 -2.23915E-01 -1.18124E-01 + 3 2.93067E-02 -1.05475E-01 + 4 1.74803E-02 7.51009E-02 +4 0 *********** CCCS-thr-leu + 1 -5.00823E-01 3.19599E-01 + 2 -3.79156E-01 6.48330E-02 + 3 -2.52279E-02 -5.60938E-02 + 4 6.15224E-02 3.48828E-02 +4 0 *********** CCCS-thr-val + 1 -6.66163E-01 1.57839E-01 + 2 -2.82039E-01 -6.85402E-02 + 3 2.84170E-02 -8.92678E-02 + 4 3.68848E-02 7.29793E-02 +4 0 *********** CCCS-thr-trp + 1 -6.67197E-01 1.59905E-01 + 2 -1.32462E-01 4.54309E-03 + 3 -4.41262E-02 -2.98930E-02 + 4 4.77017E-02 2.33546E-02 +4 0 *********** CCCS-thr-tyr + 1 -6.05186E-01 1.32909E-01 + 2 -1.27191E-01 7.92306E-02 + 3 -7.55896E-02 -1.24676E-02 + 4 5.38346E-02 1.19690E-02 +4 0 *********** CCCS-thr-ala + 1 -4.92108E-01 7.29893E-02 + 2 -2.94868E-01 -2.89306E-01 + 3 7.57361E-02 -3.65210E-02 + 4 -5.57898E-02 3.86971E-02 +4 0 *********** CCCS-thr-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-thr-thr + 1 -7.45482E-01 9.60972E-02 + 2 -1.90156E-01 -1.75476E-01 + 3 3.87974E-02 -7.26032E-02 + 4 -1.74927E-02 6.66013E-02 +4 0 *********** CCCS-thr-ser + 1 -1.16265E+00 -5.77886E-01 + 2 3.67680E-01 -6.64155E-02 + 3 4.94013E-02 -1.47955E-01 + 4 -2.71067E-02 -2.54014E-03 +4 0 *********** CCCS-thr-gln + 1 -7.72626E-01 -6.76124E-03 + 2 -4.44939E-02 -1.74265E-01 + 3 -2.88422E-02 -7.51459E-02 + 4 -1.11548E-02 5.16024E-02 +4 0 *********** CCCS-thr-asn + 1 -9.17112E-01 -4.37406E-01 + 2 2.66940E-01 -1.36434E-01 + 3 3.00889E-02 -4.33786E-02 + 4 9.23315E-03 -1.18078E-02 +4 0 *********** CCCS-thr-glu + 1 -8.40641E-01 6.81535E-02 + 2 -8.78889E-02 -1.68137E-01 + 3 -3.19566E-02 -9.00317E-02 + 4 5.28663E-03 5.34595E-02 +4 0 *********** CCCS-thr-asp + 1 -1.02189E+00 -4.79146E-01 + 2 2.95262E-01 -1.28086E-01 + 3 2.31717E-02 -4.87398E-02 + 4 1.39044E-02 -1.88108E-02 +4 0 *********** CCCS-thr-his + 1 -8.80916E-01 -4.26539E-01 + 2 2.42448E-01 -9.14291E-02 + 3 1.05248E-01 -4.81750E-02 + 4 -1.92150E-02 -4.72863E-02 +4 0 *********** CCCS-thr-arg + 1 -5.48048E-01 2.09077E-01 + 2 -1.99186E-01 4.01057E-02 + 3 -2.39989E-02 -5.14240E-02 + 4 2.87024E-02 2.01337E-02 +4 0 *********** CCCS-thr-lys + 1 -4.75450E-01 2.54118E-01 + 2 -2.76141E-01 3.68121E-02 + 3 1.98402E-02 -3.23959E-02 + 4 3.17753E-02 2.41329E-02 +4 0 *********** CCCS-thr-pro + 1 -1.46596E+00 -1.78082E-01 + 2 3.64356E-01 -2.36500E-01 + 3 -2.18599E-01 -2.65481E-01 + 4 2.98444E-02 -8.51331E-03 +4 0 *********** CCCS-ser-cys + 1 -1.04837E+00 -6.10995E-01 + 2 -1.41701E-01 -2.85795E-01 + 3 2.72913E-01 -5.66441E-02 + 4 -1.15430E-01 1.18261E-01 +4 0 *********** CCCS-ser-met + 1 -7.53509E-01 -1.07956E-01 + 2 -3.96696E-01 7.46363E-02 + 3 1.45212E-01 -1.03265E-01 + 4 -5.12330E-03 4.33481E-02 +4 0 *********** CCCS-ser-phe + 1 -8.86745E-01 -1.49766E-01 + 2 -2.52304E-01 3.97771E-01 + 3 -3.63396E-02 -1.43342E-01 + 4 3.20231E-02 6.09485E-02 +4 0 *********** CCCS-ser-ile + 1 -9.81862E-01 -1.93356E-01 + 2 -6.47003E-01 1.05026E-01 + 3 2.60292E-01 -1.94239E-01 + 4 -1.34015E-03 -6.87713E-04 +4 0 *********** CCCS-ser-leu + 1 -6.55843E-01 1.84284E-01 + 2 -7.79829E-01 3.69260E-01 + 3 9.90230E-02 -1.49577E-01 + 4 2.84450E-02 -5.30532E-02 +4 0 *********** CCCS-ser-val + 1 -8.84912E-01 -1.43814E-01 + 2 -7.19527E-01 1.80517E-01 + 3 2.55997E-01 -1.65153E-01 + 4 2.14705E-02 -1.71934E-02 +4 0 *********** CCCS-ser-trp + 1 -9.10824E-01 -7.98788E-02 + 2 -2.66428E-01 2.50268E-01 + 3 1.56151E-03 -1.57157E-01 + 4 3.90715E-02 6.46676E-02 +4 0 *********** CCCS-ser-tyr + 1 -8.72452E-01 -1.33650E-01 + 2 -2.16929E-01 3.71744E-01 + 3 -4.87209E-02 -1.43150E-01 + 4 4.01808E-02 7.72556E-02 +4 0 *********** CCCS-ser-ala + 1 -5.84042E-01 2.54320E-02 + 2 -7.23774E-01 -4.84211E-01 + 3 2.01131E-01 1.15642E-02 + 4 2.58175E-02 4.67270E-02 +4 0 *********** CCCS-ser-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-ser-thr + 1 -9.04091E-01 -1.14038E-01 + 2 -5.51718E-01 -1.18229E-01 + 3 1.98503E-01 -1.00926E-01 + 4 -5.00525E-03 2.62573E-02 +4 0 *********** CCCS-ser-ser + 1 -1.21903E+00 -1.13590E+00 + 2 1.10102E-01 -4.44413E-01 + 3 8.51782E-02 -3.48694E-02 + 4 -1.04601E-01 1.08914E-02 +4 0 *********** CCCS-ser-gln + 1 -9.00164E-01 -1.94782E-01 + 2 -2.32413E-01 -1.81809E-01 + 3 3.42637E-03 -1.34012E-01 + 4 -1.13839E-02 8.78613E-02 +4 0 *********** CCCS-ser-asn + 1 -1.00506E+00 -7.20429E-01 + 2 1.84999E-01 -3.76506E-01 + 3 2.75927E-02 -1.52767E-02 + 4 -3.90060E-02 7.92171E-02 +4 0 *********** CCCS-ser-glu + 1 -1.01415E+00 -1.64873E-01 + 2 -3.38425E-01 -8.18384E-02 + 3 2.91754E-02 -1.74557E-01 + 4 2.24211E-02 6.18333E-02 +4 0 *********** CCCS-ser-asp + 1 -1.10875E+00 -8.78415E-01 + 2 1.03249E-01 -4.25272E-01 + 3 1.91494E-02 6.71157E-02 + 4 -1.74906E-02 6.09993E-02 +4 0 *********** CCCS-ser-his + 1 -1.05074E+00 -6.95434E-01 + 2 2.12439E-01 -1.69617E-01 + 3 2.07914E-01 -5.80538E-02 + 4 -2.43340E-02 -1.00341E-02 +4 0 *********** CCCS-ser-arg + 1 -7.23069E-01 4.20717E-02 + 2 -3.65552E-01 2.58250E-01 + 3 4.00962E-02 -1.34337E-01 + 4 -1.39705E-02 -6.73942E-03 +4 0 *********** CCCS-ser-lys + 1 -6.17249E-01 1.39288E-01 + 2 -5.23413E-01 2.16254E-01 + 3 1.24271E-01 -8.68823E-02 + 4 1.69791E-02 -1.07765E-02 +4 0 *********** CCCS-ser-pro + 1 -1.80852E+00 -1.13946E+00 + 2 -2.23424E-01 -3.04544E-01 + 3 -2.06562E-02 -2.72521E-01 + 4 -1.05566E-01 1.34185E-01 +4 0 *********** CCCS-gln-cys + 1 -8.92424E-01 -5.07387E-01 + 2 -2.42104E-02 -4.24023E-02 + 3 1.02088E-01 -1.39458E-01 + 4 -9.38427E-03 5.45754E-02 +4 0 *********** CCCS-gln-met + 1 -6.52447E-01 -1.51895E-02 + 2 -1.90492E-01 6.94244E-02 + 3 3.21838E-02 -7.49475E-02 + 4 -2.23481E-03 3.86823E-02 +4 0 *********** CCCS-gln-phe + 1 -7.26817E-01 3.40560E-02 + 2 -7.70293E-02 2.09886E-01 + 3 -9.15611E-02 -3.53401E-02 + 4 5.22865E-02 4.07427E-02 +4 0 *********** CCCS-gln-ile + 1 -8.16693E-01 -5.89724E-02 + 2 -2.43021E-01 7.80091E-02 + 3 2.10517E-02 -1.25236E-01 + 4 -3.01370E-02 3.17542E-02 +4 0 *********** CCCS-gln-leu + 1 -5.65181E-01 1.91999E-01 + 2 -3.29198E-01 2.16747E-01 + 3 2.92818E-03 -4.08838E-02 + 4 -2.38458E-02 5.62057E-02 +4 0 *********** CCCS-gln-val + 1 -7.29652E-01 -3.69959E-03 + 2 -2.89669E-01 1.14813E-01 + 3 3.10314E-02 -1.01801E-01 + 4 -2.27825E-02 4.27327E-02 +4 0 *********** CCCS-gln-trp + 1 -7.66079E-01 5.39907E-02 + 2 -9.03988E-02 1.34352E-01 + 3 -6.45456E-02 -5.61522E-02 + 4 4.25952E-02 3.57759E-02 +4 0 *********** CCCS-gln-tyr + 1 -7.16548E-01 3.52292E-02 + 2 -6.46610E-02 1.99411E-01 + 3 -9.15575E-02 -3.54834E-02 + 4 5.79160E-02 4.34072E-02 +4 0 *********** CCCS-gln-ala + 1 -4.87342E-01 -3.86897E-02 + 2 -3.86278E-01 -1.76526E-01 + 3 5.77582E-02 -1.40930E-02 + 4 -3.92891E-02 -5.27642E-02 +4 0 *********** CCCS-gln-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-gln-thr + 1 -7.80760E-01 -6.13841E-02 + 2 -2.35612E-01 -1.24991E-02 + 3 2.49293E-02 -8.20607E-02 + 4 -3.06675E-02 6.90262E-03 +4 0 *********** CCCS-gln-ser + 1 -1.03788E+00 -8.88069E-01 + 2 5.34243E-02 5.10125E-02 + 3 1.50205E-01 -2.08371E-01 + 4 -3.01558E-02 2.63968E-02 +4 0 *********** CCCS-gln-gln + 1 -8.04285E-01 -1.29508E-01 + 2 -9.34017E-02 -6.37414E-02 + 3 -5.87788E-02 -9.53064E-02 + 4 1.00333E-03 3.02731E-02 +4 0 *********** CCCS-gln-asn + 1 -8.38358E-01 -6.14264E-01 + 2 8.17134E-02 -9.24163E-02 + 3 5.51736E-02 -1.03468E-01 + 4 2.68239E-02 5.56177E-02 +4 0 *********** CCCS-gln-glu + 1 -8.96027E-01 -8.93257E-02 + 2 -1.12126E-01 -9.88092E-03 + 3 -6.86206E-02 -1.06623E-01 + 4 1.56355E-03 1.49187E-02 +4 0 *********** CCCS-gln-asp + 1 -9.22333E-01 -7.13812E-01 + 2 5.02866E-02 -5.05264E-02 + 3 7.80833E-02 -1.05819E-01 + 4 2.92431E-02 4.29878E-02 +4 0 *********** CCCS-gln-his + 1 -8.45032E-01 -5.83060E-01 + 2 1.08484E-01 -2.73417E-02 + 3 1.30266E-01 -1.25573E-01 + 4 1.45373E-02 5.90930E-03 +4 0 *********** CCCS-gln-arg + 1 -6.20503E-01 1.20432E-01 + 2 -1.63002E-01 1.57146E-01 + 3 -2.74049E-02 -5.80091E-02 + 4 -8.73186E-03 2.35626E-02 +4 0 *********** CCCS-gln-lys + 1 -5.28575E-01 1.73025E-01 + 2 -2.56094E-01 1.51170E-01 + 3 3.46088E-02 -3.83785E-02 + 4 -5.83263E-03 2.90363E-02 +4 0 *********** CCCS-gln-pro + 1 -1.54478E+00 -7.03617E-01 + 2 1.77756E-01 2.22580E-01 + 3 -8.84134E-02 -4.66760E-01 + 4 -7.23375E-02 1.06350E-01 +4 0 *********** CCCS-asn-cys + 1 -9.82525E-01 -3.51632E-01 + 2 -2.52515E-01 -1.11964E-01 + 3 1.39576E-01 -1.96110E-01 + 4 -4.65103E-03 8.79464E-02 +4 0 *********** CCCS-asn-met + 1 -6.91677E-01 7.41541E-02 + 2 -2.56189E-01 2.36130E-01 + 3 1.10713E-02 -1.44067E-01 + 4 3.06039E-02 2.74767E-02 +4 0 *********** CCCS-asn-phe + 1 -8.00835E-01 1.00115E-01 + 2 -1.07459E-02 3.91741E-01 + 3 -1.24297E-01 -2.84366E-02 + 4 6.54387E-02 -3.93435E-03 +4 0 *********** CCCS-asn-ile + 1 -8.79446E-01 4.35312E-02 + 2 -3.90415E-01 3.37774E-01 + 3 -7.49679E-03 -2.43611E-01 + 4 6.60991E-03 3.25451E-02 +4 0 *********** CCCS-asn-leu + 1 -5.41915E-01 2.78822E-01 + 2 -3.53500E-01 5.72411E-01 + 3 -4.69218E-02 -8.76969E-02 + 4 -2.13995E-02 -1.69204E-03 +4 0 *********** CCCS-asn-val + 1 -7.84056E-01 7.67350E-02 + 2 -4.05088E-01 4.09834E-01 + 3 6.41454E-03 -2.09256E-01 + 4 1.00253E-02 1.59303E-02 +4 0 *********** CCCS-asn-trp + 1 -8.15609E-01 1.46881E-01 + 2 -8.28472E-02 2.99037E-01 + 3 -1.03392E-01 -7.04564E-02 + 4 6.42105E-02 -3.85424E-03 +4 0 *********** CCCS-asn-tyr + 1 -7.88025E-01 1.06272E-01 + 2 2.66433E-03 3.62107E-01 + 3 -1.27500E-01 -2.45225E-02 + 4 7.87480E-02 -3.57991E-03 +4 0 *********** CCCS-asn-ala + 1 -5.02302E-01 7.78595E-02 + 2 -6.89111E-01 -3.28269E-03 + 3 8.33343E-02 -1.01783E-01 + 4 4.50539E-03 -2.04876E-02 +4 0 *********** CCCS-asn-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-asn-thr + 1 -8.11013E-01 6.59891E-02 + 2 -4.26966E-01 1.74948E-01 + 3 1.65546E-02 -1.73767E-01 + 4 1.62799E-02 1.83886E-02 +4 0 *********** CCCS-asn-ser + 1 -1.06150E+00 -7.20223E-01 + 2 -2.64205E-01 -2.70668E-01 + 3 1.82935E-01 -1.36872E-01 + 4 -8.21001E-02 2.23903E-02 +4 0 *********** CCCS-asn-gln + 1 -8.31456E-01 6.94561E-03 + 2 -2.57390E-01 -6.59889E-04 + 3 -9.34647E-02 -1.03075E-01 + 4 5.54687E-02 4.35942E-02 +4 0 *********** CCCS-asn-asn + 1 -9.21745E-01 -4.50877E-01 + 2 -1.26524E-01 -3.04363E-01 + 3 8.91806E-02 -6.87808E-02 + 4 3.45027E-03 4.84865E-02 +4 0 *********** CCCS-asn-glu + 1 -9.20190E-01 5.35560E-02 + 2 -2.79315E-01 1.17997E-01 + 3 -1.06749E-01 -1.38302E-01 + 4 4.73823E-02 2.11619E-02 +4 0 *********** CCCS-asn-asp + 1 -1.00292E+00 -5.61433E-01 + 2 -2.15450E-01 -2.73663E-01 + 3 1.43746E-01 -4.62991E-02 + 4 -2.84376E-03 2.89608E-02 +4 0 *********** CCCS-asn-his + 1 -9.46800E-01 -4.06137E-01 + 2 -2.58896E-02 -2.06499E-01 + 3 1.62179E-01 -1.74252E-01 + 4 -5.68963E-02 -5.58782E-03 +4 0 *********** CCCS-asn-arg + 1 -6.34581E-01 2.06273E-01 + 2 -1.47943E-01 3.52432E-01 + 3 -7.07501E-02 -8.73140E-02 + 4 -7.27691E-03 1.39072E-02 +4 0 *********** CCCS-asn-lys + 1 -5.18691E-01 2.52763E-01 + 2 -2.70015E-01 3.87332E-01 + 3 1.24213E-02 -9.85008E-02 + 4 -1.38280E-04 -9.05424E-04 +4 0 *********** CCCS-asn-pro + 1 -1.35260E+00 -5.40866E-01 + 2 -4.23502E-01 7.57498E-02 + 3 -9.66377E-03 -3.95838E-01 + 4 -1.07416E-01 1.33385E-01 +4 0 *********** CCCS-glu-cys + 1 -9.26658E-01 -5.25130E-01 + 2 -1.46141E-02 -8.43380E-02 + 3 1.18348E-01 -1.11715E-01 + 4 -2.52483E-02 5.22072E-02 +4 0 *********** CCCS-glu-met + 1 -6.70146E-01 -2.45277E-02 + 2 -2.20947E-01 5.40152E-02 + 3 5.24231E-02 -7.59906E-02 + 4 -3.45329E-03 4.10627E-02 +4 0 *********** CCCS-glu-phe + 1 -7.46132E-01 1.54575E-02 + 2 -1.12917E-01 2.21803E-01 + 3 -8.16859E-02 -5.39614E-02 + 4 5.01778E-02 4.34568E-02 +4 0 *********** CCCS-glu-ile + 1 -8.39765E-01 -6.34876E-02 + 2 -2.92138E-01 4.98946E-02 + 3 5.66111E-02 -1.30373E-01 + 4 -2.67769E-02 3.74880E-02 +4 0 *********** CCCS-glu-leu + 1 -5.78575E-01 2.02103E-01 + 2 -3.98231E-01 2.12278E-01 + 3 1.49364E-02 -5.94025E-02 + 4 -1.26158E-02 4.46635E-02 +4 0 *********** CCCS-glu-val + 1 -7.49311E-01 -7.45102E-03 + 2 -3.44907E-01 9.25320E-02 + 3 6.20556E-02 -1.08748E-01 + 4 -1.58245E-02 4.46948E-02 +4 0 *********** CCCS-glu-trp + 1 -7.88016E-01 4.08201E-02 + 2 -1.22548E-01 1.35274E-01 + 3 -5.01657E-02 -7.13558E-02 + 4 4.18897E-02 4.10282E-02 +4 0 *********** CCCS-glu-tyr + 1 -7.36009E-01 1.70572E-02 + 2 -9.74425E-02 2.10864E-01 + 3 -8.25035E-02 -5.34527E-02 + 4 5.51966E-02 4.71361E-02 +4 0 *********** CCCS-glu-ala + 1 -5.03992E-01 -2.97856E-02 + 2 -4.18076E-01 -2.36919E-01 + 3 7.80568E-02 -7.41743E-03 + 4 -3.12610E-02 -3.56243E-02 +4 0 *********** CCCS-glu-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-glu-thr + 1 -8.04543E-01 -6.20769E-02 + 2 -2.72922E-01 -5.06136E-02 + 3 5.50426E-02 -8.02036E-02 + 4 -2.90912E-02 1.44716E-02 +4 0 *********** CCCS-glu-ser + 1 -1.10702E+00 -9.22384E-01 + 2 1.12736E-01 8.19736E-03 + 3 1.30474E-01 -1.88277E-01 + 4 -3.04892E-02 2.35917E-02 +4 0 *********** CCCS-glu-gln + 1 -8.28918E-01 -1.37209E-01 + 2 -1.06707E-01 -9.58291E-02 + 3 -4.04594E-02 -9.53937E-02 + 4 -3.91334E-03 3.89483E-02 +4 0 *********** CCCS-glu-asn + 1 -8.85321E-01 -6.34665E-01 + 2 1.27028E-01 -1.28080E-01 + 3 4.17177E-02 -8.32055E-02 + 4 2.28902E-02 5.16544E-02 +4 0 *********** CCCS-glu-glu + 1 -9.23757E-01 -9.51260E-02 + 2 -1.38889E-01 -4.10626E-02 + 3 -4.33032E-02 -1.12057E-01 + 4 7.27614E-04 2.53686E-02 +4 0 *********** CCCS-glu-asp + 1 -9.77706E-01 -7.38687E-01 + 2 9.78649E-02 -9.31284E-02 + 3 5.92724E-02 -7.92006E-02 + 4 3.02832E-02 3.85875E-02 +4 0 *********** CCCS-glu-his + 1 -8.93583E-01 -6.06150E-01 + 2 1.48877E-01 -4.86929E-02 + 3 1.28527E-01 -1.05344E-01 + 4 1.04248E-02 -9.87261E-05 +4 0 *********** CCCS-glu-arg + 1 -6.37452E-01 1.14969E-01 + 2 -2.00239E-01 1.56626E-01 + 3 -1.47293E-02 -7.20167E-02 + 4 -6.09780E-03 2.15053E-02 +4 0 *********** CCCS-glu-lys + 1 -5.43918E-01 1.75298E-01 + 2 -3.01529E-01 1.44322E-01 + 3 4.75835E-02 -4.73502E-02 + 4 -4.03201E-04 2.48047E-02 +4 0 *********** CCCS-glu-pro + 1 -1.67644E+00 -7.35341E-01 + 2 2.37419E-01 1.70243E-01 + 3 -1.04694E-01 -4.62205E-01 + 4 -6.66424E-02 1.21892E-01 +4 0 *********** CCCS-asp-cys + 1 -1.03238E+00 -2.69353E-01 + 2 -1.16102E-01 -1.92723E-01 + 3 2.01706E-01 -1.68112E-01 + 4 -5.06421E-02 1.21374E-01 +4 0 *********** CCCS-asp-met + 1 -6.63656E-01 1.16359E-01 + 2 -2.65698E-01 1.09534E-01 + 3 2.43880E-02 -1.33974E-01 + 4 3.02189E-02 4.72081E-02 +4 0 *********** CCCS-asp-phe + 1 -7.28477E-01 1.52816E-01 + 2 -8.33367E-02 2.72364E-01 + 3 -1.44641E-01 -3.77114E-02 + 4 8.48424E-02 1.22855E-02 +4 0 *********** CCCS-asp-ile + 1 -8.27894E-01 1.62544E-01 + 2 -3.95099E-01 1.22719E-01 + 3 5.87906E-03 -2.42851E-01 + 4 3.67157E-02 5.84739E-02 +4 0 *********** CCCS-asp-leu + 1 -4.99550E-01 3.71081E-01 + 2 -4.24432E-01 3.79671E-01 + 3 -7.57202E-02 -9.18426E-02 + 4 -2.69963E-03 1.11169E-02 +4 0 *********** CCCS-asp-val + 1 -7.27116E-01 1.90071E-01 + 2 -4.23302E-01 1.91954E-01 + 3 4.45001E-03 -2.05201E-01 + 4 3.69698E-02 4.86853E-02 +4 0 *********** CCCS-asp-trp + 1 -7.63719E-01 1.93795E-01 + 2 -1.35580E-01 1.80915E-01 + 3 -1.04279E-01 -8.15742E-02 + 4 8.03391E-02 1.55771E-02 +4 0 *********** CCCS-asp-tyr + 1 -7.21039E-01 1.50123E-01 + 2 -6.83138E-02 2.55494E-01 + 3 -1.41767E-01 -3.74128E-02 + 4 9.22455E-02 1.67042E-02 +4 0 *********** CCCS-asp-ala + 1 -5.09884E-01 1.39071E-01 + 2 -5.82229E-01 -1.54482E-01 + 3 9.77774E-02 -1.06883E-01 + 4 -2.92733E-03 -2.38612E-02 +4 0 *********** CCCS-asp-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-asp-thr + 1 -7.99522E-01 1.54752E-01 + 2 -3.92486E-01 1.11183E-03 + 3 3.69199E-02 -1.83457E-01 + 4 1.94077E-02 4.26303E-02 +4 0 *********** CCCS-asp-ser + 1 -1.25847E+00 -5.72311E-01 + 2 2.41234E-02 -2.26461E-01 + 3 2.55803E-01 -1.50901E-01 + 4 -1.31135E-01 4.34524E-02 +4 0 *********** CCCS-asp-gln + 1 -8.42532E-01 4.91175E-02 + 2 -1.97402E-01 -9.06725E-02 + 3 -5.70772E-02 -1.42998E-01 + 4 3.33244E-02 5.77983E-02 +4 0 *********** CCCS-asp-asn + 1 -1.01863E+00 -3.89292E-01 + 2 5.89818E-02 -2.90567E-01 + 3 1.22241E-01 -5.43853E-02 + 4 -2.25735E-02 5.73810E-02 +4 0 *********** CCCS-asp-glu + 1 -9.17838E-01 1.24982E-01 + 2 -2.43633E-01 -1.51522E-02 + 3 -7.86179E-02 -1.80395E-01 + 4 5.14711E-02 3.89096E-02 +4 0 *********** CCCS-asp-asp + 1 -1.12525E+00 -4.49970E-01 + 2 2.53964E-02 -2.80697E-01 + 3 1.65651E-01 -4.47945E-02 + 4 -4.13656E-02 3.97728E-02 +4 0 *********** CCCS-asp-his + 1 -1.01495E+00 -3.76970E-01 + 2 9.53177E-02 -2.00818E-01 + 3 1.99753E-01 -1.02406E-01 + 4 -4.17618E-02 4.63318E-03 +4 0 *********** CCCS-asp-arg + 1 -5.98206E-01 2.46214E-01 + 2 -2.08682E-01 2.35004E-01 + 3 -6.96239E-02 -8.82442E-02 + 4 9.57137E-03 9.18069E-03 +4 0 *********** CCCS-asp-lys + 1 -4.95051E-01 2.98865E-01 + 2 -3.21343E-01 2.49375E-01 + 3 5.96272E-03 -8.47740E-02 + 4 1.62699E-02 1.39569E-02 +4 0 *********** CCCS-asp-pro + 1 -1.81100E+00 -4.71232E-01 + 2 -9.66277E-02 5.29642E-02 + 3 1.70153E-01 -5.59350E-01 + 4 -2.69981E-01 7.46327E-02 +4 0 *********** CCCS-his-cys + 1 -1.02326E+00 -5.38369E-01 + 2 -1.32305E-01 -1.06083E-01 + 3 1.17097E-01 -1.55663E-01 + 4 -1.53219E-02 7.94010E-02 +4 0 *********** CCCS-his-met + 1 -7.26939E-01 -1.67835E-02 + 2 -2.86022E-01 1.64223E-01 + 3 6.04967E-02 -1.20698E-01 + 4 1.14318E-02 4.16890E-02 +4 0 *********** CCCS-his-phe + 1 -8.46965E-01 -4.14579E-03 + 2 -9.31771E-02 3.69304E-01 + 3 -8.63275E-02 -6.75627E-02 + 4 6.24307E-02 3.01409E-02 +4 0 *********** CCCS-his-ile + 1 -9.33521E-01 -9.30719E-02 + 2 -4.16225E-01 2.26055E-01 + 3 8.54612E-02 -1.90131E-01 + 4 -3.00510E-02 3.43145E-02 +4 0 *********** CCCS-his-leu + 1 -6.13861E-01 2.03048E-01 + 2 -4.71376E-01 4.34944E-01 + 3 3.79951E-02 -1.01434E-01 + 4 -6.25438E-03 2.82259E-02 +4 0 *********** CCCS-his-val + 1 -8.32966E-01 -4.00007E-02 + 2 -4.62507E-01 2.88943E-01 + 3 9.71576E-02 -1.66055E-01 + 4 -1.14748E-02 2.99271E-02 +4 0 *********** CCCS-his-trp + 1 -8.72612E-01 4.41267E-02 + 2 -1.32333E-01 2.60605E-01 + 3 -6.21711E-02 -9.47167E-02 + 4 5.89300E-02 3.00581E-02 +4 0 *********** CCCS-his-tyr + 1 -8.33077E-01 5.75024E-03 + 2 -7.30970E-02 3.43517E-01 + 3 -9.45024E-02 -6.46969E-02 + 4 7.58655E-02 3.45212E-02 +4 0 *********** CCCS-his-ala + 1 -5.32467E-01 -8.03660E-03 + 2 -6.24910E-01 -1.79773E-01 + 3 1.14465E-01 -2.00410E-02 + 4 -3.26442E-02 -2.13283E-02 +4 0 *********** CCCS-his-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-his-thr + 1 -8.64016E-01 -5.70001E-02 + 2 -4.14313E-01 5.71780E-02 + 3 8.06841E-02 -1.11773E-01 + 4 -2.45426E-02 1.30547E-02 +4 0 *********** CCCS-his-ser + 1 -1.18836E+00 -1.02027E+00 + 2 -3.02832E-02 -1.63870E-01 + 3 5.58247E-02 -1.64973E-01 + 4 -1.26828E-02 3.25314E-02 +4 0 *********** CCCS-his-gln + 1 -8.82102E-01 -1.08999E-01 + 2 -2.02016E-01 -7.18844E-02 + 3 -7.27482E-02 -9.03949E-02 + 4 2.13206E-02 5.10057E-02 +4 0 *********** CCCS-his-asn + 1 -9.72049E-01 -6.32958E-01 + 2 5.23451E-02 -2.54655E-01 + 3 -6.29446E-03 -7.50023E-02 + 4 5.00907E-02 6.28422E-02 +4 0 *********** CCCS-his-glu + 1 -9.90556E-01 -7.69450E-02 + 2 -2.40946E-01 3.04749E-02 + 3 -6.43926E-02 -1.15558E-01 + 4 1.53074E-02 2.73723E-02 +4 0 *********** CCCS-his-asp + 1 -1.06972E+00 -7.81364E-01 + 2 -2.56562E-02 -2.26331E-01 + 3 1.76280E-02 -3.63538E-02 + 4 6.90605E-02 3.88689E-02 +4 0 *********** CCCS-his-his + 1 -1.01054E+00 -5.91953E-01 + 2 1.27013E-01 -1.18587E-01 + 3 1.17117E-01 -1.66741E-01 + 4 -3.66351E-05 -6.02392E-03 +4 0 *********** CCCS-his-arg + 1 -6.86245E-01 1.26500E-01 + 2 -2.16154E-01 2.92860E-01 + 3 -1.88657E-02 -1.01456E-01 + 4 -1.30023E-02 2.10232E-02 +4 0 *********** CCCS-his-lys + 1 -5.72868E-01 1.92764E-01 + 2 -3.51296E-01 2.95718E-01 + 3 6.67583E-02 -9.19463E-02 + 4 5.95436E-03 1.30736E-02 +4 0 *********** CCCS-his-pro + 1 -1.81088E+00 -9.62880E-01 + 2 -4.13290E-02 1.60325E-01 + 3 -8.38799E-02 -3.98468E-01 + 4 -1.26949E-01 6.56677E-02 +4 0 *********** CCCS-arg-cys + 1 -8.60019E-01 -4.02387E-01 + 2 1.05000E-01 -3.71651E-02 + 3 9.80543E-02 -9.57294E-02 + 4 4.32441E-03 2.62327E-02 +4 0 *********** CCCS-arg-met + 1 -6.00045E-01 4.21913E-02 + 2 -1.25392E-01 -3.14466E-02 + 3 2.00347E-02 -5.65546E-02 + 4 -1.25662E-02 4.42769E-02 +4 0 *********** CCCS-arg-phe + 1 -6.36634E-01 1.05698E-01 + 2 -7.57701E-02 7.34952E-02 + 3 -1.02513E-01 -3.72951E-02 + 4 4.71804E-02 5.49243E-02 +4 0 *********** CCCS-arg-ile + 1 -7.57767E-01 3.93647E-02 + 2 -1.35431E-01 -6.39326E-02 + 3 1.45340E-02 -1.04796E-01 + 4 -4.19706E-02 3.75250E-02 +4 0 *********** CCCS-arg-leu + 1 -5.26314E-01 2.56016E-01 + 2 -2.72982E-01 3.62919E-02 + 3 -2.01340E-02 -4.05168E-02 + 4 -2.83457E-02 8.83989E-02 +4 0 *********** CCCS-arg-val + 1 -6.74523E-01 8.80890E-02 + 2 -1.91585E-01 -3.94856E-02 + 3 1.47026E-02 -8.64697E-02 + 4 -3.60785E-02 6.07020E-02 +4 0 *********** CCCS-arg-trp + 1 -6.83791E-01 1.17301E-01 + 2 -7.07344E-02 1.26248E-02 + 3 -6.78684E-02 -4.78957E-02 + 4 3.37021E-02 4.63795E-02 +4 0 *********** CCCS-arg-tyr + 1 -6.27300E-01 1.01348E-01 + 2 -6.73912E-02 7.15082E-02 + 3 -9.90035E-02 -3.67426E-02 + 4 5.00826E-02 5.62243E-02 +4 0 *********** CCCS-arg-ala + 1 -4.82163E-01 8.76203E-03 + 2 -2.13478E-01 -2.22078E-01 + 3 5.66511E-02 -1.93504E-02 + 4 -6.32620E-02 -7.50769E-02 +4 0 *********** CCCS-arg-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-arg-thr + 1 -7.41292E-01 1.79491E-02 + 2 -1.14110E-01 -1.12274E-01 + 3 2.09531E-02 -7.55140E-02 + 4 -4.83518E-02 7.54308E-03 +4 0 *********** CCCS-arg-ser + 1 -1.08178E+00 -7.42395E-01 + 2 2.36169E-01 1.54880E-01 + 3 1.50230E-01 -1.86019E-01 + 4 9.56662E-03 2.35742E-02 +4 0 *********** CCCS-arg-gln + 1 -7.63714E-01 -7.13278E-02 + 2 -2.44959E-04 -1.02773E-01 + 3 -2.83988E-02 -1.04252E-01 + 4 -2.19452E-02 1.74852E-02 +4 0 *********** CCCS-arg-asn + 1 -8.44769E-01 -5.28407E-01 + 2 1.94637E-01 -5.37759E-03 + 3 6.93261E-02 -8.06881E-02 + 4 4.46814E-02 4.06136E-02 +4 0 *********** CCCS-arg-glu + 1 -8.41862E-01 -1.32649E-02 + 2 -1.56056E-02 -9.31546E-02 + 3 -4.46320E-02 -1.08568E-01 + 4 -1.99048E-02 8.70813E-03 +4 0 *********** CCCS-arg-asp + 1 -9.40580E-01 -5.94497E-01 + 2 2.07471E-01 3.22621E-02 + 3 7.42922E-02 -9.60415E-02 + 4 5.22099E-02 3.43707E-02 +4 0 *********** CCCS-arg-his + 1 -8.12781E-01 -5.04109E-01 + 2 1.78450E-01 1.32505E-02 + 3 1.24235E-01 -5.28164E-02 + 4 5.58702E-02 -9.35862E-03 +4 0 *********** CCCS-arg-arg + 1 -5.62345E-01 1.68355E-01 + 2 -1.40534E-01 3.26282E-02 + 3 -3.29850E-02 -4.82963E-02 + 4 -6.41402E-03 3.43577E-02 +4 0 *********** CCCS-arg-lys + 1 -4.88191E-01 2.13645E-01 + 2 -2.11967E-01 1.95535E-02 + 3 1.16384E-02 -2.24441E-02 + 4 -8.30089E-03 4.76400E-02 +4 0 *********** CCCS-arg-pro + 1 -1.55006E+00 -5.29384E-01 + 2 4.43655E-01 1.48509E-01 + 3 -1.04577E-01 -4.50797E-01 + 4 -4.92987E-02 5.37380E-02 +4 0 *********** CCCS-lys-cys + 1 -8.57945E-01 -3.73314E-01 + 2 1.14933E-01 -2.11371E-02 + 3 8.36268E-02 -1.02175E-01 + 4 1.06463E-02 2.13660E-02 +4 0 *********** CCCS-lys-met + 1 -5.89273E-01 6.23451E-02 + 2 -1.04779E-01 -3.04958E-02 + 3 1.01108E-02 -5.32766E-02 + 4 -8.64647E-03 4.27045E-02 +4 0 *********** CCCS-lys-phe + 1 -6.22741E-01 1.30188E-01 + 2 -5.64494E-02 5.91916E-02 + 3 -1.03939E-01 -2.61833E-02 + 4 5.14258E-02 5.05484E-02 +4 0 *********** CCCS-lys-ile + 1 -7.47930E-01 6.24236E-02 + 2 -1.06004E-01 -6.04978E-02 + 3 -5.71686E-04 -9.85706E-02 + 4 -4.01148E-02 3.79531E-02 +4 0 *********** CCCS-lys-leu + 1 -5.15368E-01 2.67874E-01 + 2 -2.39334E-01 3.11397E-02 + 3 -2.58942E-02 -3.37048E-02 + 4 -1.85408E-02 9.02257E-02 +4 0 *********** CCCS-lys-val + 1 -6.64281E-01 1.08775E-01 + 2 -1.60067E-01 -3.75534E-02 + 3 1.05717E-03 -8.08583E-02 + 4 -3.17826E-02 6.07997E-02 +4 0 *********** CCCS-lys-trp + 1 -6.68837E-01 1.40711E-01 + 2 -5.24290E-02 3.18997E-03 + 3 -7.20523E-02 -3.78172E-02 + 4 3.65417E-02 4.20063E-02 +4 0 *********** CCCS-lys-tyr + 1 -6.13091E-01 1.25364E-01 + 2 -4.95788E-02 5.75949E-02 + 3 -1.00299E-01 -2.58421E-02 + 4 5.43450E-02 5.10909E-02 +4 0 *********** CCCS-lys-ala + 1 -4.77878E-01 1.91412E-02 + 2 -1.91670E-01 -1.94850E-01 + 3 4.91807E-02 -2.44385E-02 + 4 -7.07822E-02 -6.64245E-02 +4 0 *********** CCCS-lys-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-lys-thr + 1 -7.32265E-01 3.88917E-02 + 2 -8.93353E-02 -1.02472E-01 + 3 8.47632E-03 -7.36822E-02 + 4 -4.89634E-02 1.09405E-02 +4 0 *********** CCCS-lys-ser + 1 -1.09042E+00 -7.13201E-01 + 2 2.37665E-01 1.82376E-01 + 3 1.42143E-01 -2.00704E-01 + 4 7.02171E-03 2.05770E-02 +4 0 *********** CCCS-lys-gln + 1 -7.55053E-01 -4.83876E-02 + 2 1.35247E-02 -9.34263E-02 + 3 -3.62364E-02 -9.91817E-02 + 4 -2.13951E-02 1.67911E-02 +4 0 *********** CCCS-lys-asn + 1 -8.44846E-01 -5.00831E-01 + 2 1.90252E-01 1.19835E-02 + 3 6.41052E-02 -8.56566E-02 + 4 4.98239E-02 3.25985E-02 +4 0 *********** CCCS-lys-glu + 1 -8.31436E-01 1.12945E-02 + 2 3.97508E-03 -8.80877E-02 + 3 -5.42010E-02 -1.00588E-01 + 4 -2.13442E-02 8.60120E-03 +4 0 *********** CCCS-lys-asp + 1 -9.42319E-01 -5.64401E-01 + 2 2.07072E-01 5.29345E-02 + 3 6.84183E-02 -1.05422E-01 + 4 5.47873E-02 2.86901E-02 +4 0 *********** CCCS-lys-his + 1 -8.09040E-01 -4.76061E-01 + 2 1.72341E-01 2.31401E-02 + 3 1.15193E-01 -5.76260E-02 + 4 5.67028E-02 -1.78136E-02 +4 0 *********** CCCS-lys-arg + 1 -5.48948E-01 1.85786E-01 + 2 -1.20092E-01 2.45507E-02 + 3 -3.73639E-02 -4.06512E-02 + 4 -3.63217E-03 3.57043E-02 +4 0 *********** CCCS-lys-lys + 1 -4.75770E-01 2.26095E-01 + 2 -1.86851E-01 1.58762E-02 + 3 5.05309E-03 -1.86031E-02 + 4 -3.81038E-03 4.80344E-02 +4 0 *********** CCCS-lys-pro + 1 -1.58797E+00 -5.01675E-01 + 2 4.92487E-01 2.05297E-01 + 3 -1.27315E-01 -4.64023E-01 + 4 -4.01578E-02 6.91176E-02 +4 0 *********** CCCS-pro-cys + 1 -1.17004E+00 -3.98677E-01 + 2 -1.60362E-01 -1.93996E-01 + 3 1.73518E-01 -8.37873E-02 + 4 -5.92099E-02 1.18630E-01 +4 0 *********** CCCS-pro-met + 1 -7.48336E-01 6.07604E-02 + 2 -2.78999E-01 1.90683E-01 + 3 7.17836E-02 -1.43945E-01 + 4 1.91651E-02 2.55350E-02 +4 0 *********** CCCS-pro-phe + 1 -8.80193E-01 6.47252E-02 + 2 -4.88850E-02 4.12591E-01 + 3 -7.20780E-02 -1.11166E-01 + 4 2.58254E-02 1.63394E-02 +4 0 *********** CCCS-pro-ile + 1 -9.79710E-01 3.99701E-02 + 2 -4.71326E-01 2.74523E-01 + 3 1.27845E-01 -2.67378E-01 + 4 2.82929E-02 2.00015E-02 +4 0 *********** CCCS-pro-leu + 1 -6.00811E-01 3.27666E-01 + 2 -4.91996E-01 5.51639E-01 + 3 3.84590E-03 -1.80629E-01 + 4 -9.86790E-03 -7.49951E-02 +4 0 *********** CCCS-pro-val + 1 -8.68898E-01 7.17527E-02 + 2 -5.01002E-01 3.63549E-01 + 3 1.32046E-01 -2.50488E-01 + 4 2.93732E-02 -1.61536E-02 +4 0 *********** CCCS-pro-trp + 1 -8.96501E-01 1.29992E-01 + 2 -1.11580E-01 2.84068E-01 + 3 -4.59362E-02 -1.25418E-01 + 4 4.37184E-02 1.50829E-02 +4 0 *********** CCCS-pro-tyr + 1 -8.61402E-01 7.45852E-02 + 2 -3.14205E-02 3.78266E-01 + 3 -8.06996E-02 -9.94746E-02 + 4 4.14958E-02 1.80331E-02 +4 0 *********** CCCS-pro-ala + 1 -5.62598E-01 1.11374E-01 + 2 -7.45549E-01 -1.31464E-01 + 3 1.61317E-01 -8.42793E-02 + 4 8.72320E-02 2.91395E-02 +4 0 *********** CCCS-pro-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** CCCS-pro-thr + 1 -9.07849E-01 7.76719E-02 + 2 -4.72132E-01 8.11280E-02 + 3 1.26137E-01 -1.61329E-01 + 4 3.84860E-02 2.42118E-02 +4 0 *********** CCCS-pro-ser + 1 -1.61551E+00 -8.47812E-01 + 2 3.57056E-02 -4.29341E-01 + 3 -3.91253E-03 1.22740E-01 + 4 -8.20854E-02 3.68427E-03 +4 0 *********** CCCS-pro-gln + 1 -9.33947E-01 6.75567E-04 + 2 -2.41565E-01 -7.64516E-02 + 3 -1.67072E-02 -6.96706E-02 + 4 4.83193E-02 5.10288E-02 +4 0 *********** CCCS-pro-asn + 1 -1.18314E+00 -4.98674E-01 + 2 7.15421E-02 -3.86403E-01 + 3 -9.88056E-03 6.35419E-02 + 4 -5.85735E-03 1.90402E-02 +4 0 *********** CCCS-pro-glu + 1 -1.04480E+00 5.79008E-02 + 2 -2.91891E-01 3.08634E-02 + 3 -5.16516E-03 -1.28810E-01 + 4 5.90039E-02 3.42053E-02 +4 0 *********** CCCS-pro-asp + 1 -1.35548E+00 -6.24364E-01 + 2 1.14171E-02 -3.92476E-01 + 3 2.95114E-02 1.43079E-01 + 4 -1.17147E-02 -1.66194E-02 +4 0 *********** CCCS-pro-his + 1 -1.20336E+00 -4.62056E-01 + 2 1.70184E-01 -2.39155E-01 + 3 6.15741E-02 -8.19429E-02 + 4 -5.70485E-02 1.15489E-02 +4 0 *********** CCCS-pro-arg + 1 -6.89422E-01 2.07042E-01 + 2 -1.98428E-01 3.20765E-01 + 3 -2.68026E-02 -1.28322E-01 + 4 -7.48013E-03 4.31463E-03 +4 0 *********** CCCS-pro-lys + 1 -5.65205E-01 2.73646E-01 + 2 -3.36290E-01 3.45283E-01 + 3 4.67419E-02 -1.36545E-01 + 4 6.86319E-03 -1.94038E-02 +4 0 *********** CCCS-pro-pro + 1 -3.30913E+00 -7.17640E-01 + 2 4.70082E-01 -4.72589E-02 + 3 -3.03019E-01 -1.08208E-01 + 4 1.72759E-01 1.84493E-01 +4 0 *********** SCCS-cys-cys + 1 8.67192E-01 -3.97420E-01 + 2 -1.42331E-01 1.54790E-01 + 3 1.17768E-01 -6.88353E-02 + 4 1.16808E-02 -4.88455E-02 +4 0 *********** SCCS-cys-met + 1 4.26597E-01 -4.96269E-01 + 2 1.68255E-01 2.05715E-01 + 3 6.45820E-02 -5.78164E-02 + 4 -3.30813E-02 -2.01771E-02 +4 0 *********** SCCS-cys-phe + 1 4.30309E-01 -5.81996E-01 + 2 2.91210E-01 3.75351E-02 + 3 -2.51574E-02 -4.52847E-02 + 4 -4.59956E-02 2.64473E-02 +4 0 *********** SCCS-cys-ile + 1 5.92263E-01 -5.56017E-01 + 2 1.96396E-01 2.73218E-01 + 3 7.20998E-02 -8.12583E-02 + 4 -9.05831E-03 -5.08715E-02 +4 0 *********** SCCS-cys-leu + 1 2.23589E-01 -5.45461E-01 + 2 4.10204E-01 2.68121E-01 + 3 5.34177E-02 -5.72668E-02 + 4 -4.98470E-02 1.26762E-02 +4 0 *********** SCCS-cys-val + 1 4.91308E-01 -5.42737E-01 + 2 2.59371E-01 3.06256E-01 + 3 6.44313E-02 -7.06936E-02 + 4 -3.66479E-02 -3.46126E-02 +4 0 *********** SCCS-cys-trp + 1 4.71912E-01 -6.01415E-01 + 2 2.16418E-01 8.00790E-02 + 3 -1.30446E-02 -5.24377E-02 + 4 -4.99798E-02 3.07055E-03 +4 0 *********** SCCS-cys-tyr + 1 4.16234E-01 -5.77036E-01 + 2 2.74265E-01 2.25244E-02 + 3 -2.83527E-02 -4.49149E-02 + 4 -4.88884E-02 2.31939E-02 +4 0 *********** SCCS-cys-ala + 1 3.34091E-01 -3.42304E-01 + 2 8.50400E-03 5.26987E-01 + 3 9.62156E-02 2.68970E-02 + 4 2.14985E-02 -4.83972E-02 +4 0 *********** SCCS-cys-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-cys-thr + 1 5.34364E-01 -5.20718E-01 + 2 3.54739E-02 3.67105E-01 + 3 7.05045E-02 -2.83985E-02 + 4 3.20212E-02 -5.62046E-02 +4 0 *********** SCCS-cys-ser + 1 1.08515E+00 -2.62182E-01 + 2 -3.11425E-01 1.33473E-01 + 3 9.24029E-02 -1.02550E-01 + 4 1.03816E-01 -6.31816E-02 +4 0 *********** SCCS-cys-gln + 1 5.66258E-01 -5.39383E-01 + 2 -2.13376E-02 2.06540E-01 + 3 -3.79359E-02 -7.98189E-02 + 4 -4.15080E-02 -4.31848E-02 +4 0 *********** SCCS-cys-asn + 1 9.22612E-01 -2.63118E-01 + 2 -2.41432E-01 6.53561E-02 + 3 2.40540E-02 -3.36319E-02 + 4 2.68269E-02 9.52648E-03 +4 0 *********** SCCS-cys-glu + 1 5.96137E-01 -6.10543E-01 + 2 3.53487E-02 2.27789E-01 + 3 -1.67001E-02 -8.81237E-02 + 4 -4.14545E-02 -3.65214E-02 +4 0 *********** SCCS-cys-asp + 1 1.01795E+00 -2.60910E-01 + 2 -1.97330E-01 1.05405E-01 + 3 4.50490E-02 -4.55831E-03 + 4 2.89560E-02 2.39952E-02 +4 0 *********** SCCS-cys-his + 1 8.90355E-01 -2.91398E-01 + 2 -1.50779E-01 3.51671E-03 + 3 1.32057E-01 -3.87007E-02 + 4 7.11463E-02 3.32134E-02 +4 0 *********** SCCS-cys-arg + 1 3.05165E-01 -5.50396E-01 + 2 2.65996E-01 1.34162E-01 + 3 1.63970E-02 -6.55688E-02 + 4 -1.63990E-02 -6.42449E-03 +4 0 *********** SCCS-cys-lys + 1 2.10559E-01 -5.08694E-01 + 2 2.92920E-01 2.11781E-01 + 3 7.45051E-02 -4.33034E-02 + 4 -2.31646E-02 5.82520E-03 +4 0 *********** SCCS-cys-pro + 1 1.19886E+00 -1.94173E-01 + 2 -2.59796E-01 1.46925E-01 + 3 2.03461E-01 -1.47537E-01 + 4 1.86013E-01 1.95403E-02 +4 0 *********** SCCS-met-cys + 1 6.77842E-01 -1.22147E-01 + 2 3.01442E-02 -8.28383E-02 + 3 2.53218E-02 -2.89579E-02 + 4 2.32855E-02 -1.30591E-02 +4 0 *********** SCCS-met-met + 1 3.93839E-01 -2.65359E-01 + 2 -2.98951E-02 -7.82974E-04 + 3 -6.71525E-03 2.70051E-03 + 4 -4.19784E-03 -6.76316E-03 +4 0 *********** SCCS-met-phe + 1 3.47890E-01 -3.31177E-01 + 2 -1.40210E-02 1.34047E-02 + 3 -6.20698E-03 9.61245E-03 + 4 -7.78514E-03 2.24073E-03 +4 0 *********** SCCS-met-ile + 1 5.15140E-01 -2.68442E-01 + 2 -3.13116E-02 -3.35772E-02 + 3 -1.11768E-02 -9.13918E-03 + 4 6.51943E-03 -1.56479E-02 +4 0 *********** SCCS-met-leu + 1 2.97078E-01 -3.52096E-01 + 2 -4.44542E-02 4.92139E-02 + 3 1.62294E-03 8.51857E-03 + 4 -1.90766E-02 -1.67157E-03 +4 0 *********** SCCS-met-val + 1 4.44647E-01 -3.10886E-01 + 2 -5.17011E-02 -3.76384E-03 + 3 -2.22666E-02 5.59111E-04 + 4 -1.13944E-02 -1.24191E-02 +4 0 *********** SCCS-met-trp + 1 4.26445E-01 -3.01683E-01 + 2 -1.23552E-02 -1.83657E-02 + 3 -1.26295E-02 -8.84208E-03 + 4 -4.38497E-03 -6.94827E-03 +4 0 *********** SCCS-met-tyr + 1 3.35211E-01 -3.27458E-01 + 2 -8.79237E-03 1.12200E-02 + 3 -5.55911E-03 9.19752E-03 + 4 -8.69196E-03 2.27149E-03 +4 0 *********** SCCS-met-ala + 1 3.47583E-01 -1.40409E-01 + 2 -7.66753E-02 2.14822E-02 + 3 -1.83836E-03 1.15904E-02 + 4 7.81264E-03 -1.16514E-02 +4 0 *********** SCCS-met-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-met-thr + 1 5.08255E-01 -2.52922E-01 + 2 -4.50710E-02 -2.69872E-02 + 3 -1.48451E-02 -1.40399E-02 + 4 4.39034E-03 -1.89867E-02 +4 0 *********** SCCS-met-ser + 1 8.01001E-01 -4.95313E-02 + 2 9.72315E-02 -9.47434E-02 + 3 6.93740E-02 -4.24953E-02 + 4 5.18705E-02 -1.18763E-02 +4 0 *********** SCCS-met-gln + 1 5.01149E-01 -2.69021E-01 + 2 -2.49395E-02 -4.99726E-02 + 3 -1.56056E-02 -2.12705E-02 + 4 -7.22647E-03 -1.64211E-02 +4 0 *********** SCCS-met-asn + 1 6.73569E-01 1.52099E-02 + 2 7.13503E-02 -6.74262E-02 + 3 3.90477E-02 -1.39945E-02 + 4 2.52162E-02 3.59290E-03 +4 0 *********** SCCS-met-glu + 1 5.25931E-01 -3.25302E-01 + 2 -3.29368E-02 -5.37539E-02 + 3 -1.90438E-02 -2.32002E-02 + 4 -9.20583E-03 -1.93397E-02 +4 0 *********** SCCS-met-asp + 1 7.14424E-01 1.99294E-02 + 2 9.11002E-02 -6.60162E-02 + 3 4.52199E-02 -1.28745E-02 + 4 3.06190E-02 5.71878E-03 +4 0 *********** SCCS-met-his + 1 6.48672E-01 3.96519E-02 + 2 9.07352E-02 -5.93949E-02 + 3 3.52519E-02 1.88478E-03 + 4 2.44209E-02 1.78793E-02 +4 0 *********** SCCS-met-arg + 1 3.07539E-01 -3.33991E-01 + 2 -2.38728E-02 1.77764E-02 + 3 -2.32994E-03 6.48369E-03 + 4 -6.48227E-03 -1.82843E-03 +4 0 *********** SCCS-met-lys + 1 2.74243E-01 -3.17318E-01 + 2 -3.79758E-02 3.83663E-02 + 3 3.07022E-03 1.29550E-02 + 4 -1.17798E-02 -9.80492E-04 +4 0 *********** SCCS-met-pro + 1 8.53443E-01 6.32717E-04 + 2 1.54723E-01 -9.89519E-02 + 3 1.33621E-01 -3.85601E-02 + 4 1.13225E-01 2.03647E-02 +4 0 *********** SCCS-phe-cys + 1 6.17912E-01 4.08053E-02 + 2 8.03708E-02 -1.78292E-01 + 3 -4.69639E-02 -4.27914E-02 + 4 -1.76101E-02 4.81626E-02 +4 0 *********** SCCS-phe-met + 1 4.00919E-01 -1.33434E-01 + 2 -8.47991E-02 -1.11941E-01 + 3 -6.60895E-02 3.54194E-02 + 4 -2.32957E-02 -4.88659E-03 +4 0 *********** SCCS-phe-phe + 1 3.70355E-01 -2.13805E-01 + 2 -1.33203E-01 -6.44535E-02 + 3 -2.38403E-02 5.51917E-02 + 4 -4.77525E-02 3.66054E-02 +4 0 *********** SCCS-phe-ile + 1 4.83527E-01 -1.13031E-01 + 2 -5.50937E-02 -1.64700E-01 + 3 -1.21456E-01 4.46557E-03 + 4 -4.47308E-03 -2.79464E-02 +4 0 *********** SCCS-phe-leu + 1 3.30503E-01 -2.51950E-01 + 2 -1.85358E-01 -7.54903E-02 + 3 -8.18024E-03 9.43208E-02 + 4 -4.27669E-02 -1.78173E-02 +4 0 *********** SCCS-phe-val + 1 4.61384E-01 -1.89805E-01 + 2 -1.19066E-01 -1.67802E-01 + 3 -9.11416E-02 5.00339E-02 + 4 -2.91337E-02 -4.54035E-02 +4 0 *********** SCCS-phe-trp + 1 4.21300E-01 -1.36878E-01 + 2 -6.85968E-02 -7.57692E-02 + 3 -7.08461E-02 5.92965E-02 + 4 -2.27440E-02 -1.34410E-03 +4 0 *********** SCCS-phe-tyr + 1 3.56633E-01 -2.11338E-01 + 2 -1.21404E-01 -4.96290E-02 + 3 -2.81706E-02 4.66030E-02 + 4 -3.18445E-02 3.78772E-02 +4 0 *********** SCCS-phe-ala + 1 3.36910E-01 -6.87199E-02 + 2 -8.07815E-02 -1.92038E-01 + 3 -1.00267E-01 3.43753E-02 + 4 5.43754E-02 -3.09258E-02 +4 0 *********** SCCS-phe-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-phe-thr + 1 4.82970E-01 -9.10727E-02 + 2 -5.58281E-02 -1.57682E-01 + 3 -1.33460E-01 -6.99795E-03 + 4 2.48573E-02 -7.19938E-02 +4 0 *********** SCCS-phe-ser + 1 7.61323E-01 9.17861E-02 + 2 2.06520E-01 -1.99787E-01 + 3 4.29281E-02 -8.32855E-02 + 4 1.72165E-02 4.10619E-02 +4 0 *********** SCCS-phe-gln + 1 4.86846E-01 -1.05888E-01 + 2 -3.94640E-02 -1.43621E-01 + 3 -1.07811E-01 2.13469E-02 + 4 -4.22265E-03 -2.88818E-02 +4 0 *********** SCCS-phe-asn + 1 6.17192E-01 1.32884E-01 + 2 2.11050E-01 -1.43871E-01 + 3 -3.77821E-02 -7.12819E-02 + 4 2.23335E-02 5.71418E-02 +4 0 *********** SCCS-phe-glu + 1 5.12548E-01 -1.55228E-01 + 2 -7.80945E-02 -1.54708E-01 + 3 -1.17487E-01 3.69667E-02 + 4 4.81689E-03 -2.57806E-02 +4 0 *********** SCCS-phe-asp + 1 6.54725E-01 1.36981E-01 + 2 2.27435E-01 -1.56591E-01 + 3 -1.76645E-02 -8.60832E-02 + 4 2.41417E-02 4.79527E-02 +4 0 *********** SCCS-phe-his + 1 5.71382E-01 1.65067E-01 + 2 2.21862E-01 -1.03689E-01 + 3 7.14090E-03 -1.05914E-01 + 4 1.86059E-02 4.81888E-02 +4 0 *********** SCCS-phe-arg + 1 3.46205E-01 -2.19591E-01 + 2 -1.23250E-01 -6.09198E-02 + 3 -3.07295E-02 6.26693E-02 + 4 -2.18389E-02 -3.92536E-04 +4 0 *********** SCCS-phe-lys + 1 3.12189E-01 -2.08352E-01 + 2 -1.38776E-01 -7.42432E-02 + 3 -2.46965E-02 6.30946E-02 + 4 -2.00432E-02 -2.35017E-03 +4 0 *********** SCCS-phe-pro + 1 5.75671E-01 1.88566E-01 + 2 1.73271E-01 -2.03893E-01 + 3 -4.52139E-02 -2.19582E-01 + 4 1.30494E-01 1.14331E-01 +4 0 *********** SCCS-ile-cys + 1 8.12861E-01 -3.96504E-03 + 2 -4.19983E-02 -1.84176E-01 + 3 2.24503E-02 -1.66688E-01 + 4 1.95631E-02 -1.59739E-02 +4 0 *********** SCCS-ile-met + 1 5.06126E-01 -1.90924E-01 + 2 -1.04465E-01 5.08062E-02 + 3 -4.34139E-02 -8.62438E-03 + 4 2.80063E-03 -1.68203E-02 +4 0 *********** SCCS-ile-phe + 1 4.61933E-01 -2.73111E-01 + 2 -4.71593E-02 1.06871E-01 + 3 -4.16029E-02 3.21457E-02 + 4 -2.32600E-02 -2.22548E-02 +4 0 *********** SCCS-ile-ile + 1 6.43631E-01 -1.58904E-01 + 2 -1.37423E-01 -2.45357E-02 + 3 -4.92316E-02 -4.74913E-02 + 4 8.06138E-03 -1.35900E-02 +4 0 *********** SCCS-ile-leu + 1 4.08520E-01 -3.13005E-01 + 2 -1.27566E-01 1.49512E-01 + 3 -6.34900E-02 3.46685E-02 + 4 -9.06413E-03 -3.52161E-02 +4 0 *********** SCCS-ile-val + 1 5.49852E-01 -2.38227E-01 + 2 -1.86617E-01 6.55581E-02 + 3 -8.85027E-02 -2.08951E-03 + 4 2.05440E-02 -1.84654E-02 +4 0 *********** SCCS-ile-trp + 1 5.56619E-01 -2.29250E-01 + 2 -7.23091E-02 2.04708E-02 + 3 -5.42306E-02 -1.94723E-02 + 4 -1.19046E-02 -1.59240E-02 +4 0 *********** SCCS-ile-tyr + 1 4.49078E-01 -2.74446E-01 + 2 -2.55459E-02 9.15112E-02 + 3 -2.72392E-02 2.83834E-02 + 4 -1.70035E-02 -1.89771E-02 +4 0 *********** SCCS-ile-ala + 1 4.03565E-01 -9.73049E-02 + 2 -1.65085E-01 5.69215E-02 + 3 -2.98332E-02 -3.68601E-02 + 4 5.11142E-02 -3.60853E-03 +4 0 *********** SCCS-ile-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-ile-thr + 1 6.20201E-01 -1.51004E-01 + 2 -1.87224E-01 -2.62016E-02 + 3 -6.88780E-02 -4.57481E-02 + 4 2.01786E-02 -1.07393E-02 +4 0 *********** SCCS-ile-ser + 1 9.86260E-01 6.17463E-02 + 2 6.62327E-02 -2.73558E-01 + 3 1.10960E-01 -2.60774E-01 + 4 3.83570E-02 -4.73275E-02 +4 0 *********** SCCS-ile-gln + 1 6.33544E-01 -1.88461E-01 + 2 -1.11157E-01 -5.46044E-02 + 3 -6.63764E-02 -7.88378E-02 + 4 -2.90177E-04 -3.37399E-02 +4 0 *********** SCCS-ile-asn + 1 8.25454E-01 1.18023E-01 + 2 9.19552E-02 -1.26947E-01 + 3 1.45967E-01 -1.11375E-01 + 4 2.12906E-02 -9.23171E-03 +4 0 *********** SCCS-ile-glu + 1 6.72081E-01 -2.47902E-01 + 2 -1.35462E-01 -4.61728E-02 + 3 -1.02405E-01 -6.77087E-02 + 4 -6.17406E-03 -2.95507E-02 +4 0 *********** SCCS-ile-asp + 1 8.82886E-01 1.31154E-01 + 2 1.26880E-01 -1.35348E-01 + 3 1.68125E-01 -9.99270E-02 + 4 2.84089E-02 -1.18548E-02 +4 0 *********** SCCS-ile-his + 1 7.94558E-01 1.75521E-01 + 2 1.38135E-01 -1.15967E-01 + 3 1.67239E-01 -3.45828E-03 + 4 2.51629E-02 1.09876E-02 +4 0 *********** SCCS-ile-arg + 1 4.15725E-01 -3.00712E-01 + 2 -6.50785E-02 9.28036E-02 + 3 -3.20538E-02 2.66472E-02 + 4 -8.49279E-03 -1.49651E-02 +4 0 *********** SCCS-ile-lys + 1 3.86892E-01 -2.73636E-01 + 2 -1.12672E-01 1.29364E-01 + 3 -3.92998E-02 3.02353E-02 + 4 1.05440E-03 -2.13757E-02 +4 0 *********** SCCS-ile-pro + 1 1.10677E+00 1.63062E-01 + 2 1.50623E-01 -4.22318E-01 + 3 2.98202E-01 -2.99543E-01 + 4 1.21923E-01 -2.54283E-02 +4 0 *********** SCCS-leu-cys + 1 5.94172E-01 1.73408E-01 + 2 -4.73314E-02 -4.02620E-01 + 3 9.12043E-02 2.01775E-02 + 4 -1.81725E-02 4.15779E-02 +4 0 *********** SCCS-leu-met + 1 4.50214E-01 -4.84057E-02 + 2 -3.11550E-01 -6.43377E-02 + 3 -1.88595E-02 2.46353E-03 + 4 3.13201E-02 1.89536E-02 +4 0 *********** SCCS-leu-phe + 1 4.47533E-01 -7.27249E-02 + 2 -3.24192E-01 1.23022E-01 + 3 -1.38368E-02 -1.16926E-02 + 4 3.17776E-02 -2.62258E-02 +4 0 *********** SCCS-leu-ile + 1 5.38275E-01 -3.28620E-02 + 2 -3.61398E-01 -1.84453E-01 + 3 -1.26381E-03 -4.46188E-03 + 4 3.51930E-02 2.87682E-02 +4 0 *********** SCCS-leu-leu + 1 3.93440E-01 -1.90873E-01 + 2 -5.15508E-01 1.28112E-01 + 3 -3.48570E-02 -1.12793E-02 + 4 5.06812E-02 -1.16744E-02 +4 0 *********** SCCS-leu-val + 1 4.86868E-01 -7.00880E-02 + 2 -4.72459E-01 -1.31204E-01 + 3 -3.24814E-02 -2.39810E-02 + 4 5.04527E-02 3.87129E-02 +4 0 *********** SCCS-leu-trp + 1 4.99228E-01 -6.01644E-02 + 2 -2.56724E-01 -1.84632E-02 + 3 3.00625E-03 -6.97844E-03 + 4 3.48385E-02 4.33609E-04 +4 0 *********** SCCS-leu-tyr + 1 4.44213E-01 -7.33654E-02 + 2 -2.88693E-01 1.26663E-01 + 3 -1.36961E-02 -8.27957E-03 + 4 2.22349E-02 -1.54084E-02 +4 0 *********** SCCS-leu-ala + 1 3.52407E-01 9.90197E-03 + 2 -4.25254E-01 -2.87061E-01 + 3 -9.77948E-03 1.04495E-02 + 4 1.24345E-02 6.57671E-02 +4 0 *********** SCCS-leu-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-leu-thr + 1 5.30410E-01 -3.02183E-02 + 2 -3.40930E-01 -2.50663E-01 + 3 -1.72778E-02 -3.12795E-02 + 4 6.50734E-03 4.50499E-02 +4 0 *********** SCCS-leu-ser + 1 6.43329E-01 2.88516E-01 + 2 1.45392E-01 -5.44840E-01 + 3 1.89139E-01 4.54212E-02 + 4 5.20574E-03 6.18441E-03 +4 0 *********** SCCS-leu-gln + 1 5.38355E-01 -9.84240E-03 + 2 -2.31182E-01 -2.17751E-01 + 3 4.74929E-02 -4.53414E-02 + 4 2.17601E-03 3.35150E-02 +4 0 *********** SCCS-leu-asn + 1 5.90026E-01 2.87928E-01 + 2 1.94468E-01 -4.17227E-01 + 3 1.25681E-01 4.82303E-02 + 4 -6.52887E-05 2.85218E-02 +4 0 *********** SCCS-leu-glu + 1 5.67262E-01 -4.93095E-02 + 2 -3.05894E-01 -1.96980E-01 + 3 3.23051E-02 -6.29242E-02 + 4 1.22491E-02 2.40107E-02 +4 0 *********** SCCS-leu-asp + 1 6.22202E-01 3.02516E-01 + 2 2.07573E-01 -4.31691E-01 + 3 1.27351E-01 4.61920E-02 + 4 -8.60483E-04 2.43449E-02 +4 0 *********** SCCS-leu-his + 1 5.86765E-01 2.88627E-01 + 2 2.35091E-01 -3.01746E-01 + 3 3.08047E-02 9.85179E-02 + 4 1.02471E-02 7.74650E-03 +4 0 *********** SCCS-leu-arg + 1 4.15115E-01 -1.37915E-01 + 2 -3.18066E-01 8.40315E-02 + 3 -2.25748E-02 1.54698E-02 + 4 2.14297E-02 -9.37111E-03 +4 0 *********** SCCS-leu-lys + 1 3.77420E-01 -1.69429E-01 + 2 -3.94650E-01 8.02192E-02 + 3 -4.51308E-02 8.84393E-03 + 4 2.97845E-02 2.48893E-03 +4 0 *********** SCCS-leu-pro + 1 7.16084E-01 2.99786E-01 + 2 1.86283E-01 -6.03837E-01 + 3 2.55575E-01 7.04726E-02 + 4 1.91405E-02 -4.06397E-03 +4 0 *********** SCCS-val-cys + 1 7.86466E-01 -4.29816E-03 + 2 -4.32969E-03 -2.08880E-01 + 3 8.92767E-02 -7.77737E-02 + 4 1.70589E-02 2.40084E-03 +4 0 *********** SCCS-val-met + 1 4.82523E-01 -1.71997E-01 + 2 -1.79550E-01 4.18869E-03 + 3 -4.20704E-02 1.06050E-02 + 4 5.12664E-03 -9.63187E-03 +4 0 *********** SCCS-val-phe + 1 4.51288E-01 -2.28428E-01 + 2 -1.51994E-01 1.02467E-01 + 3 -5.40453E-02 -6.33436E-04 + 4 -1.17698E-02 -6.75950E-03 +4 0 *********** SCCS-val-ile + 1 5.99794E-01 -1.49710E-01 + 2 -2.21716E-01 -1.00818E-01 + 3 -7.56670E-02 -4.49988E-02 + 4 2.23437E-02 1.38860E-04 +4 0 *********** SCCS-val-leu + 1 4.14638E-01 -2.61707E-01 + 2 -2.82127E-01 1.46116E-01 + 3 -5.38285E-02 4.44781E-02 + 4 9.79193E-03 -6.08394E-02 +4 0 *********** SCCS-val-val + 1 5.31517E-01 -2.21076E-01 + 2 -2.82958E-01 -2.56610E-02 + 3 -7.96155E-02 2.15670E-03 + 4 1.47594E-02 -2.10170E-02 +4 0 *********** SCCS-val-trp + 1 5.21376E-01 -1.78759E-01 + 2 -1.31968E-01 1.73530E-04 + 3 -5.86612E-02 -8.79356E-03 + 4 -4.52690E-03 -1.10914E-02 +4 0 *********** SCCS-val-tyr + 1 4.36795E-01 -2.36531E-01 + 2 -1.37645E-01 1.01878E-01 + 3 -5.17500E-02 -1.33638E-03 + 4 -1.13990E-02 -8.80492E-03 +4 0 *********** SCCS-val-ala + 1 4.02626E-01 1.40449E-02 + 2 -2.57620E-01 -1.04836E-01 + 3 -1.72425E-02 -4.38215E-03 + 4 6.62607E-02 1.47455E-02 +4 0 *********** SCCS-val-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-val-thr + 1 5.86762E-01 -1.46511E-01 + 2 -2.13679E-01 -1.03577E-01 + 3 -7.94667E-02 -4.83725E-02 + 4 2.09928E-02 -4.62998E-03 +4 0 *********** SCCS-val-ser + 1 1.04735E+00 4.99137E-02 + 2 2.14269E-01 -3.39805E-01 + 3 2.44740E-01 -8.40160E-02 + 4 5.29428E-02 -4.33972E-02 +4 0 *********** SCCS-val-gln + 1 6.13296E-01 -1.73183E-01 + 2 -1.26476E-01 -1.28614E-01 + 3 -3.71179E-02 -7.86053E-02 + 4 1.04799E-02 -2.01331E-02 +4 0 *********** SCCS-val-asn + 1 8.04143E-01 1.57745E-01 + 2 1.82443E-01 -2.61981E-01 + 3 9.86430E-02 -3.13450E-02 + 4 4.11567E-02 1.32916E-02 +4 0 *********** SCCS-val-glu + 1 6.46327E-01 -2.34941E-01 + 2 -1.66375E-01 -1.21363E-01 + 3 -6.35693E-02 -8.08871E-02 + 4 9.52973E-03 -2.25330E-02 +4 0 *********** SCCS-val-asp + 1 8.60112E-01 1.77381E-01 + 2 2.19171E-01 -2.83089E-01 + 3 1.35769E-01 -5.49904E-02 + 4 3.53350E-02 1.97050E-03 +4 0 *********** SCCS-val-his + 1 7.50465E-01 2.17826E-01 + 2 2.31690E-01 -2.13623E-01 + 3 1.08163E-01 4.23888E-03 + 4 1.00893E-02 4.01857E-02 +4 0 *********** SCCS-val-arg + 1 4.10847E-01 -2.63199E-01 + 2 -1.51817E-01 6.81096E-02 + 3 -3.92104E-02 2.09606E-02 + 4 1.06147E-02 -1.12527E-02 +4 0 *********** SCCS-val-lys + 1 3.76811E-01 -2.56016E-01 + 2 -2.25150E-01 1.08778E-01 + 3 -4.37858E-02 5.46755E-02 + 4 8.88439E-03 -2.55896E-02 +4 0 *********** SCCS-val-pro + 1 1.03436E+00 1.00714E-01 + 2 1.86406E-01 -4.96539E-01 + 3 2.62543E-01 -3.07019E-01 + 4 8.02174E-02 -9.14531E-02 +4 0 *********** SCCS-trp-cys + 1 4.85138E-01 -1.82979E-01 + 2 1.96020E-01 6.48263E-02 + 3 -2.52414E-02 -8.54147E-02 + 4 7.93224E-03 1.31628E-02 +4 0 *********** SCCS-trp-met + 1 2.48041E-01 -2.84325E-01 + 2 1.30070E-01 -1.01583E-01 + 3 -3.33324E-02 -1.77276E-02 + 4 -3.97627E-03 -6.68479E-03 +4 0 *********** SCCS-trp-phe + 1 2.19398E-01 -3.43636E-01 + 2 7.09310E-02 -1.59341E-01 + 3 -3.49108E-02 1.35400E-02 + 4 -1.17105E-02 2.68615E-03 +4 0 *********** SCCS-trp-ile + 1 3.39621E-01 -3.07163E-01 + 2 1.91920E-01 -1.12493E-01 + 3 -3.90083E-02 -2.87568E-02 + 4 5.73771E-04 -1.45520E-02 +4 0 *********** SCCS-trp-leu + 1 1.92352E-01 -3.39104E-01 + 2 1.12441E-01 -1.87719E-01 + 3 -2.48803E-02 5.17637E-03 + 4 -2.43256E-02 -1.13261E-02 +4 0 *********** SCCS-trp-val + 1 3.04400E-01 -3.17984E-01 + 2 1.79017E-01 -1.32345E-01 + 3 -3.70638E-02 -1.81856E-02 + 4 3.47239E-03 -1.33026E-02 +4 0 *********** SCCS-trp-trp + 1 2.43296E-01 -3.18081E-01 + 2 1.06406E-01 -1.38401E-01 + 3 -3.34627E-02 -1.13739E-03 + 4 -4.60639E-03 2.78278E-03 +4 0 *********** SCCS-trp-tyr + 1 2.07853E-01 -3.39702E-01 + 2 6.52886E-02 -1.46562E-01 + 3 -2.61363E-02 1.94548E-02 + 4 -1.14587E-02 1.22331E-03 +4 0 *********** SCCS-trp-ala + 1 2.88980E-01 -1.77235E-01 + 2 2.16084E-01 -1.60516E-02 + 3 4.02341E-04 -4.80763E-02 + 4 1.04394E-02 -4.60249E-02 +4 0 *********** SCCS-trp-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-trp-thr + 1 3.33794E-01 -2.86700E-01 + 2 2.17694E-01 -9.80045E-02 + 3 -2.38907E-02 -2.66965E-02 + 4 8.30399E-03 -1.35058E-02 +4 0 *********** SCCS-trp-ser + 1 6.00894E-01 -1.14686E-01 + 2 2.16336E-01 1.32206E-01 + 3 -9.68653E-03 -9.15954E-02 + 4 9.12456E-03 1.96290E-02 +4 0 *********** SCCS-trp-gln + 1 3.15699E-01 -2.87964E-01 + 2 1.65908E-01 -6.56960E-02 + 3 -3.91986E-02 9.97324E-04 + 4 -1.62928E-03 -8.66838E-03 +4 0 *********** SCCS-trp-asn + 1 5.22114E-01 -6.16801E-02 + 2 1.43744E-01 1.28932E-01 + 3 3.34487E-02 -3.92939E-02 + 4 7.68923E-03 1.87095E-02 +4 0 *********** SCCS-trp-glu + 1 3.28314E-01 -3.32187E-01 + 2 1.84183E-01 -1.06422E-01 + 3 -4.84187E-02 2.23351E-03 + 4 -4.18345E-03 -1.77328E-02 +4 0 *********** SCCS-trp-asp + 1 5.60666E-01 -5.93245E-02 + 2 1.69393E-01 1.37331E-01 + 3 4.09960E-02 -3.79390E-02 + 4 1.43053E-02 1.99879E-02 +4 0 *********** SCCS-trp-his + 1 4.84972E-01 -5.97378E-02 + 2 1.22201E-01 1.14444E-01 + 3 3.44912E-02 -5.65853E-02 + 4 1.06022E-02 1.47781E-03 +4 0 *********** SCCS-trp-arg + 1 1.76449E-01 -3.23649E-01 + 2 7.61235E-02 -1.50410E-01 + 3 -3.06091E-02 2.92860E-03 + 4 -1.56412E-02 -3.18537E-03 +4 0 *********** SCCS-trp-lys + 1 1.56107E-01 -2.99490E-01 + 2 9.54620E-02 -1.43133E-01 + 3 -1.39722E-02 -2.58350E-03 + 4 -1.16648E-02 -9.91106E-03 +4 0 *********** SCCS-trp-pro + 1 5.68316E-01 -1.01008E-01 + 2 2.97583E-01 1.87430E-01 + 3 -1.19631E-02 -6.91847E-02 + 4 1.36279E-02 3.97384E-03 +4 0 *********** SCCS-tyr-cys + 1 5.55259E-01 2.14259E-02 + 2 1.98180E-01 -1.44708E-01 + 3 -1.37493E-01 -6.34694E-02 + 4 3.34960E-02 1.80364E-02 +4 0 *********** SCCS-tyr-met + 1 3.66448E-01 -1.23226E-01 + 2 -2.16214E-02 -1.63415E-01 + 3 -7.70080E-02 2.82162E-02 + 4 -2.89652E-02 -3.48982E-03 +4 0 *********** SCCS-tyr-phe + 1 3.32943E-01 -1.85915E-01 + 2 -9.74173E-02 -1.42315E-01 + 3 -4.09691E-02 1.02017E-01 + 4 -4.72429E-02 3.46750E-02 +4 0 *********** SCCS-tyr-ile + 1 4.47979E-01 -1.18184E-01 + 2 5.22640E-03 -2.12939E-01 + 3 -1.25254E-01 1.77613E-02 + 4 -1.89103E-02 -1.71523E-02 +4 0 *********** SCCS-tyr-leu + 1 3.19351E-01 -2.36058E-01 + 2 -1.48965E-01 -1.87933E-01 + 3 -4.73722E-02 9.45693E-02 + 4 -6.97518E-02 -3.99825E-03 +4 0 *********** SCCS-tyr-val + 1 4.20060E-01 -1.66880E-01 + 2 -3.05941E-02 -2.26764E-01 + 3 -1.12217E-01 4.12918E-02 + 4 -3.14988E-02 -3.87474E-02 +4 0 *********** SCCS-tyr-trp + 1 3.76306E-01 -1.38972E-01 + 2 -4.73139E-02 -1.34862E-01 + 3 -6.65524E-02 6.30932E-02 + 4 -2.29209E-02 1.68061E-02 +4 0 *********** SCCS-tyr-tyr + 1 3.23069E-01 -1.81659E-01 + 2 -9.14465E-02 -1.31407E-01 + 3 -2.79885E-02 1.00003E-01 + 4 -4.99827E-02 3.17112E-02 +4 0 *********** SCCS-tyr-ala + 1 3.31711E-01 -5.51802E-02 + 2 4.32172E-02 -2.29156E-01 + 3 -1.08502E-01 -7.32833E-02 + 4 1.58578E-02 -6.28907E-02 +4 0 *********** SCCS-tyr-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-tyr-thr + 1 4.43129E-01 -9.98765E-02 + 2 2.04282E-02 -2.00306E-01 + 3 -1.05974E-01 1.38295E-02 + 4 -3.15679E-02 -3.11278E-02 +4 0 *********** SCCS-tyr-ser + 1 6.66665E-01 9.58879E-02 + 2 3.34355E-01 -9.54379E-02 + 3 -6.17057E-02 -1.52488E-01 + 4 7.72154E-02 8.43553E-02 +4 0 *********** SCCS-tyr-gln + 1 4.37842E-01 -9.39496E-02 + 2 4.04782E-02 -1.67628E-01 + 3 -8.25634E-02 4.71052E-02 + 4 -3.65037E-02 -1.97291E-02 +4 0 *********** SCCS-tyr-asn + 1 5.40093E-01 1.60657E-01 + 2 2.63253E-01 -4.26824E-02 + 3 2.73246E-02 -1.10022E-01 + 4 -2.02731E-03 1.83667E-02 +4 0 *********** SCCS-tyr-glu + 1 4.65578E-01 -1.46079E-01 + 2 7.61706E-03 -1.97810E-01 + 3 -8.75500E-02 7.24762E-02 + 4 -3.60083E-02 -1.46126E-02 +4 0 *********** SCCS-tyr-asp + 1 5.67738E-01 1.62877E-01 + 2 2.87863E-01 -4.37540E-02 + 3 3.52221E-02 -1.23523E-01 + 4 2.01681E-02 2.44886E-02 +4 0 *********** SCCS-tyr-his + 1 4.92109E-01 1.70168E-01 + 2 2.45441E-01 -1.63849E-02 + 3 4.64559E-02 -1.29182E-01 + 4 3.45022E-03 3.48007E-02 +4 0 *********** SCCS-tyr-arg + 1 3.14126E-01 -1.95475E-01 + 2 -9.23748E-02 -1.38555E-01 + 3 -4.03817E-02 6.17459E-02 + 4 -3.32932E-02 9.17303E-03 +4 0 *********** SCCS-tyr-lys + 1 2.93079E-01 -1.90224E-01 + 2 -1.01976E-01 -1.53648E-01 + 3 -2.88171E-02 5.03449E-02 + 4 -3.86407E-02 -5.83875E-03 +4 0 *********** SCCS-tyr-pro + 1 4.64556E-01 1.05697E-01 + 2 3.36517E-01 -1.50630E-01 + 3 -1.30342E-01 -1.88491E-01 + 4 1.93320E-01 1.93493E-02 +4 0 *********** SCCS-ala-cys + 1 5.17504E-01 -1.15621E-01 + 2 -2.78017E-01 -2.46450E-01 + 3 1.43228E-01 -1.13635E-01 + 4 1.81971E-02 -2.19186E-02 +4 0 *********** SCCS-ala-met + 1 3.06790E-01 -2.72879E-01 + 2 -2.12822E-01 1.36660E-01 + 3 -1.64592E-02 -3.59792E-02 + 4 1.19042E-02 -4.00863E-02 +4 0 *********** SCCS-ala-phe + 1 2.93504E-01 -2.78677E-01 + 2 -1.14338E-01 2.49323E-01 + 3 -9.15688E-02 -4.35241E-02 + 4 -2.99342E-02 -2.97687E-02 +4 0 *********** SCCS-ala-ile + 1 3.81000E-01 -3.38357E-01 + 2 -2.69790E-01 1.13978E-01 + 3 2.20053E-02 -1.06324E-01 + 4 1.26719E-02 -2.72123E-02 +4 0 *********** SCCS-ala-leu + 1 1.87817E-01 -3.83373E-01 + 2 -2.22169E-01 3.72273E-01 + 3 -8.10128E-02 -3.27082E-02 + 4 -6.54640E-04 -6.42731E-02 +4 0 *********** SCCS-ala-val + 1 3.29822E-01 -3.04273E-01 + 2 -3.06624E-01 1.83651E-01 + 3 -4.32460E-02 -7.25547E-02 + 4 1.49068E-02 -4.24229E-02 +4 0 *********** SCCS-ala-trp + 1 3.24766E-01 -3.31163E-01 + 2 -1.12692E-01 1.42964E-01 + 3 -4.08045E-02 -7.47186E-02 + 4 -2.22856E-02 -3.33097E-02 +4 0 *********** SCCS-ala-tyr + 1 2.94138E-01 -2.67378E-01 + 2 -1.02416E-01 2.54456E-01 + 3 -7.49459E-02 -2.60298E-02 + 4 -2.32349E-02 -2.79041E-02 +4 0 *********** SCCS-ala-ala + 1 2.78430E-01 -2.18986E-01 + 2 -4.25143E-01 6.83946E-02 + 3 8.41961E-02 -3.15499E-02 + 4 9.37586E-02 5.84512E-03 +4 0 *********** SCCS-ala-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-ala-thr + 1 3.77641E-01 -3.13359E-01 + 2 -2.80922E-01 8.72298E-02 + 3 1.50802E-02 -9.86901E-02 + 4 2.88410E-02 -1.46565E-02 +4 0 *********** SCCS-ala-ser + 1 5.72896E-01 3.51691E-02 + 2 -2.61807E-01 -5.26417E-01 + 3 2.19606E-01 -1.44148E-01 + 4 1.22317E-02 -1.52747E-02 +4 0 *********** SCCS-ala-gln + 1 4.05550E-01 -2.85079E-01 + 2 -2.55923E-01 7.39632E-03 + 3 -2.48059E-02 -1.37493E-01 + 4 9.74316E-03 -2.67603E-02 +4 0 *********** SCCS-ala-asn + 1 6.23989E-01 -4.68698E-02 + 2 -6.72975E-02 -4.10474E-01 + 3 1.87023E-01 -2.95986E-02 + 4 1.45295E-02 -1.66240E-02 +4 0 *********** SCCS-ala-glu + 1 3.99331E-01 -3.34843E-01 + 2 -2.83988E-01 6.59348E-02 + 3 -4.72190E-02 -1.51632E-01 + 4 -3.86735E-03 -2.22313E-02 +4 0 *********** SCCS-ala-asp + 1 6.61667E-01 -5.40240E-02 + 2 -7.71390E-02 -4.21717E-01 + 3 1.95768E-01 -2.74466E-02 + 4 1.34416E-02 3.71095E-03 +4 0 *********** SCCS-ala-his + 1 6.48420E-01 -4.93751E-02 + 2 2.18602E-02 -3.27254E-01 + 3 2.02531E-01 9.70109E-02 + 4 4.05286E-03 2.16230E-02 +4 0 *********** SCCS-ala-arg + 1 2.38360E-01 -3.17928E-01 + 2 -1.17734E-01 2.35691E-01 + 3 -3.31488E-02 -2.26556E-02 + 4 -9.22722E-03 -1.22751E-02 +4 0 *********** SCCS-ala-lys + 1 1.90188E-01 -3.46793E-01 + 2 -1.72410E-01 2.76499E-01 + 3 -3.79097E-02 1.47776E-02 + 4 3.59765E-03 -3.93860E-02 +4 0 *********** SCCS-ala-pro + 1 7.05480E-01 -1.44827E-01 + 2 -1.13182E-01 -2.87785E-01 + 3 4.06266E-01 -2.54091E-01 + 4 4.58362E-02 -2.52399E-02 +4 0 *********** SCCS-gly-cys + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-met + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-phe + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-ile + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-leu + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-val + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-trp + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-tyr + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-ala + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-thr + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-ser + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-gln + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-asn + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-glu + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-asp + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-his + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-arg + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-lys + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gly-pro + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-thr-cys + 1 6.94146E-01 -1.10554E-01 + 2 -3.15401E-01 -2.43730E-01 + 3 8.32213E-02 -7.15149E-02 + 4 5.66906E-02 8.41925E-03 +4 0 *********** SCCS-thr-met + 1 4.32580E-01 -2.39169E-01 + 2 -2.56341E-01 1.56166E-01 + 3 -5.16709E-03 4.76564E-02 + 4 1.03130E-02 -4.42845E-02 +4 0 *********** SCCS-thr-phe + 1 4.15597E-01 -2.72196E-01 + 2 -1.51395E-01 2.99282E-01 + 3 -4.50011E-02 3.19434E-02 + 4 -3.07748E-02 -1.79729E-02 +4 0 *********** SCCS-thr-ile + 1 5.39174E-01 -2.24077E-01 + 2 -3.27413E-01 7.71185E-02 + 3 -4.86396E-02 2.77815E-02 + 4 4.52735E-02 -5.11917E-02 +4 0 *********** SCCS-thr-leu + 1 3.27056E-01 -3.30255E-01 + 2 -2.49986E-01 4.43994E-01 + 3 -6.32695E-03 5.11674E-02 + 4 -6.20378E-02 -8.73174E-02 +4 0 *********** SCCS-thr-val + 1 4.58099E-01 -3.02824E-01 + 2 -4.19837E-01 2.14224E-01 + 3 -3.97065E-02 2.92216E-02 + 4 -7.84974E-03 -8.54191E-02 +4 0 *********** SCCS-thr-trp + 1 4.78223E-01 -2.54797E-01 + 2 -1.58174E-01 1.26678E-01 + 3 -1.92522E-02 2.16408E-02 + 4 -8.29943E-03 -3.27046E-02 +4 0 *********** SCCS-thr-tyr + 1 4.16175E-01 -2.63677E-01 + 2 -1.04597E-01 2.78809E-01 + 3 -4.67057E-02 2.51712E-02 + 4 -2.98319E-02 -1.77672E-02 +4 0 *********** SCCS-thr-ala + 1 3.50298E-01 -1.15334E-01 + 2 -5.12625E-01 1.63761E-01 + 3 1.85377E-02 4.73053E-02 + 4 1.02115E-01 -8.55357E-02 +4 0 *********** SCCS-thr-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-thr-thr + 1 5.32639E-01 -2.51788E-01 + 2 -3.65678E-01 2.80268E-02 + 3 -8.20267E-02 3.41941E-02 + 4 3.20060E-02 -3.66002E-02 +4 0 *********** SCCS-thr-ser + 1 8.29226E-01 -4.47256E-02 + 2 -3.07794E-01 -5.43561E-01 + 3 1.52434E-01 -1.70668E-01 + 4 4.02455E-02 2.94916E-02 +4 0 *********** SCCS-thr-gln + 1 5.44618E-01 -2.61200E-01 + 2 -2.91685E-01 -8.52894E-04 + 3 -6.22562E-02 -3.13102E-02 + 4 7.05645E-03 -3.96955E-02 +4 0 *********** SCCS-thr-asn + 1 7.29074E-01 1.96296E-02 + 2 -1.83089E-01 -4.48830E-01 + 3 8.45099E-02 -7.55621E-02 + 4 1.42241E-02 2.85328E-02 +4 0 *********** SCCS-thr-glu + 1 5.55177E-01 -3.20515E-01 + 2 -3.35056E-01 6.64964E-02 + 3 -8.15214E-02 -1.60734E-02 + 4 -5.10384E-03 -6.58212E-02 +4 0 *********** SCCS-thr-asp + 1 7.77903E-01 1.48359E-02 + 2 -1.81561E-01 -4.55763E-01 + 3 8.06929E-02 -8.81991E-02 + 4 2.74675E-02 2.53221E-02 +4 0 *********** SCCS-thr-his + 1 7.18127E-01 5.33399E-02 + 2 -5.18661E-02 -3.85563E-01 + 3 1.00852E-01 -1.09336E-03 + 4 9.59055E-03 3.86896E-02 +4 0 *********** SCCS-thr-arg + 1 3.55433E-01 -3.15600E-01 + 2 -1.53066E-01 2.59433E-01 + 3 1.89246E-03 4.45031E-02 + 4 -2.07639E-02 -2.58293E-02 +4 0 *********** SCCS-thr-lys + 1 3.15369E-01 -3.08440E-01 + 2 -2.15935E-01 3.06506E-01 + 3 9.15967E-03 7.76526E-02 + 4 -2.41978E-02 -4.64169E-02 +4 0 *********** SCCS-thr-pro + 1 8.64041E-01 -3.46195E-02 + 2 -2.43266E-01 -5.75809E-01 + 3 9.44992E-02 -3.26994E-01 + 4 4.31977E-02 -2.28477E-02 +4 0 *********** SCCS-ser-cys + 1 1.12657E+00 -4.05912E-01 + 2 -2.04372E-01 2.21214E-01 + 3 1.94762E-01 -2.38945E-02 + 4 2.72424E-02 -1.36295E-01 +4 0 *********** SCCS-ser-met + 1 5.52897E-01 -5.23767E-01 + 2 1.93424E-01 3.78624E-01 + 3 1.58880E-01 -8.44168E-02 + 4 -2.30319E-02 -3.90520E-02 +4 0 *********** SCCS-ser-phe + 1 6.07247E-01 -6.37768E-01 + 2 4.84383E-01 1.21296E-01 + 3 -5.03608E-04 -1.46678E-01 + 4 -7.88804E-02 -4.13110E-03 +4 0 *********** SCCS-ser-ile + 1 8.28835E-01 -6.04995E-01 + 2 3.10932E-01 5.50024E-01 + 3 2.93309E-01 -1.09850E-01 + 4 1.53895E-02 -2.36185E-02 +4 0 *********** SCCS-ser-leu + 1 2.18535E-01 -6.37048E-01 + 2 6.23176E-01 5.76774E-01 + 3 1.30993E-01 -1.16495E-01 + 4 -1.08630E-02 6.41354E-02 +4 0 *********** SCCS-ser-val + 1 6.94161E-01 -5.64087E-01 + 2 3.62179E-01 6.66479E-01 + 3 2.67300E-01 -1.35004E-01 + 4 -1.23872E-03 2.69694E-02 +4 0 *********** SCCS-ser-trp + 1 6.83990E-01 -6.22528E-01 + 2 2.18412E-01 2.10656E-01 + 3 4.96465E-02 -1.90013E-01 + 4 -5.13491E-02 -1.09238E-02 +4 0 *********** SCCS-ser-tyr + 1 5.94121E-01 -6.45033E-01 + 2 4.43614E-01 6.71824E-02 + 3 -5.00495E-03 -1.30727E-01 + 4 -7.13470E-02 -2.88808E-03 +4 0 *********** SCCS-ser-ala + 1 2.91750E-01 -4.88415E-01 + 2 -9.19135E-02 8.74485E-01 + 3 2.11077E-01 3.74125E-02 + 4 -4.78129E-02 -3.48121E-02 +4 0 *********** SCCS-ser-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-ser-thr + 1 5.97190E-01 -6.25224E-01 + 2 -1.05158E-01 6.42155E-01 + 3 2.04056E-01 -1.68946E-02 + 4 3.56706E-02 -1.42799E-02 +4 0 *********** SCCS-ser-ser + 1 1.52873E+00 -3.54863E-01 + 2 -5.14291E-01 1.50261E-01 + 3 7.43751E-02 -8.86048E-04 + 4 1.34172E-01 -8.00352E-02 +4 0 *********** SCCS-ser-gln + 1 6.96482E-01 -6.02667E-01 + 2 -8.72616E-02 2.77530E-01 + 3 4.07313E-02 -1.34747E-01 + 4 -4.71931E-02 -9.46027E-02 +4 0 *********** SCCS-ser-asn + 1 1.11561E+00 -4.15743E-01 + 2 -4.64873E-01 3.47477E-02 + 3 3.25972E-02 -4.08680E-02 + 4 1.91945E-02 -9.03816E-02 +4 0 *********** SCCS-ser-glu + 1 7.64680E-01 -6.78554E-01 + 2 3.96633E-03 3.30346E-01 + 3 8.40013E-02 -1.30851E-01 + 4 -4.91193E-02 -7.39387E-02 +4 0 *********** SCCS-ser-asp + 1 1.28950E+00 -4.72641E-01 + 2 -4.47849E-01 8.30029E-02 + 3 2.25887E-02 3.44555E-02 + 4 1.69517E-02 -7.94096E-02 +4 0 *********** SCCS-ser-his + 1 1.13239E+00 -4.48872E-01 + 2 -2.52264E-01 2.14956E-02 + 3 2.19007E-01 4.35203E-02 + 4 7.47493E-02 -1.98832E-02 +4 0 *********** SCCS-ser-arg + 1 3.96490E-01 -5.99399E-01 + 2 3.73001E-01 3.41080E-01 + 3 1.05579E-01 -1.31530E-01 + 4 -1.00618E-02 -1.83315E-03 +4 0 *********** SCCS-ser-lys + 1 2.66381E-01 -5.72008E-01 + 2 3.93176E-01 4.27667E-01 + 3 1.60034E-01 -5.56215E-02 + 4 -9.38006E-03 2.60630E-02 +4 0 *********** SCCS-ser-pro + 1 1.75239E+00 7.86060E-02 + 2 -7.34679E-01 6.12669E-02 + 3 2.08017E-01 -5.04840E-02 + 4 2.47507E-01 -1.67663E-02 +4 0 *********** SCCS-gln-cys + 1 5.79299E-01 -3.92261E-01 + 2 4.78812E-02 1.59890E-01 + 3 -4.19228E-04 9.15860E-03 + 4 2.19637E-02 -9.74747E-03 +4 0 *********** SCCS-gln-met + 1 2.60284E-01 -4.42096E-01 + 2 1.67225E-01 3.36405E-02 + 3 3.09445E-03 -2.56183E-02 + 4 -1.06754E-02 -1.63804E-03 +4 0 *********** SCCS-gln-phe + 1 1.87631E-01 -4.95490E-01 + 2 1.83229E-01 -8.94963E-02 + 3 -1.27097E-02 -2.03116E-02 + 4 7.76995E-03 2.45116E-02 +4 0 *********** SCCS-gln-ile + 1 3.92171E-01 -4.79698E-01 + 2 1.78783E-01 6.83637E-02 + 3 6.47875E-03 -2.62212E-02 + 4 2.31055E-03 -1.54887E-02 +4 0 *********** SCCS-gln-leu + 1 1.14007E-01 -4.60150E-01 + 2 2.53930E-01 -4.84242E-02 + 3 2.46070E-02 -3.40276E-02 + 4 -3.00650E-02 1.14012E-02 +4 0 *********** SCCS-gln-val + 1 2.92983E-01 -4.80541E-01 + 2 2.40605E-01 8.05510E-02 + 3 2.49547E-02 -2.96703E-02 + 4 -3.41654E-02 -2.04849E-02 +4 0 *********** SCCS-gln-trp + 1 2.75555E-01 -4.97123E-01 + 2 1.26874E-01 -5.73869E-03 + 3 -1.05645E-02 -1.30748E-02 + 4 -2.01834E-03 1.13898E-03 +4 0 *********** SCCS-gln-tyr + 1 1.74347E-01 -4.97323E-01 + 2 1.50749E-01 -9.23285E-02 + 3 -1.36964E-02 -1.53743E-02 + 4 5.29976E-03 1.10334E-02 +4 0 *********** SCCS-gln-ala + 1 2.34424E-01 -3.04211E-01 + 2 2.31434E-01 1.61410E-01 + 3 2.96583E-02 1.55498E-02 + 4 -1.84200E-02 -4.01721E-02 +4 0 *********** SCCS-gln-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-gln-thr + 1 3.72524E-01 -4.51041E-01 + 2 1.52057E-01 1.40094E-01 + 3 3.02990E-02 -1.91968E-02 + 4 -3.59983E-03 -2.59568E-02 +4 0 *********** SCCS-gln-ser + 1 7.06676E-01 -3.49953E-01 + 2 2.15481E-02 2.18139E-01 + 3 -7.06996E-03 3.61775E-02 + 4 3.88715E-02 -1.19804E-02 +4 0 *********** SCCS-gln-gln + 1 3.45167E-01 -4.83364E-01 + 2 1.09744E-01 8.74874E-02 + 3 -1.41305E-02 1.23287E-02 + 4 -2.35528E-02 4.53373E-04 +4 0 *********** SCCS-gln-asn + 1 6.05408E-01 -3.11408E-01 + 2 -1.21350E-02 1.78216E-01 + 3 -3.39004E-02 2.93603E-02 + 4 1.65826E-02 2.08530E-02 +4 0 *********** SCCS-gln-glu + 1 3.57855E-01 -5.33509E-01 + 2 1.46387E-01 6.89503E-02 + 3 3.22538E-03 4.56514E-03 + 4 -2.05340E-02 -7.87216E-03 +4 0 *********** SCCS-gln-asp + 1 6.42044E-01 -3.21931E-01 + 2 1.24171E-02 1.71516E-01 + 3 -2.30269E-02 3.44125E-02 + 4 3.71335E-02 2.06943E-02 +4 0 *********** SCCS-gln-his + 1 5.81423E-01 -3.02122E-01 + 2 -1.66860E-02 1.20394E-01 + 3 -2.64290E-02 -1.31693E-02 + 4 4.12599E-02 3.48810E-02 +4 0 *********** SCCS-gln-arg + 1 1.32993E-01 -4.67945E-01 + 2 1.75658E-01 -4.29680E-02 + 3 -4.65605E-03 -3.18778E-02 + 4 -1.33197E-02 4.57256E-03 +4 0 *********** SCCS-gln-lys + 1 1.12536E-01 -4.26087E-01 + 2 2.09075E-01 -1.43530E-02 + 3 8.78889E-03 -2.92447E-02 + 4 -2.20890E-02 3.54246E-03 +4 0 *********** SCCS-gln-pro + 1 7.34775E-01 -2.94956E-01 + 2 -8.33276E-03 2.05041E-01 + 3 8.67681E-03 1.83067E-02 + 4 9.83198E-02 6.77699E-03 +4 0 *********** SCCS-asn-cys + 1 5.04335E-01 -7.39264E-01 + 2 1.65204E-01 3.02986E-01 + 3 -5.78337E-02 -3.47671E-02 + 4 -2.37965E-02 1.77826E-02 +4 0 *********** SCCS-asn-met + 1 1.77178E-01 -6.13369E-01 + 2 3.39709E-01 6.61443E-02 + 3 -2.62225E-02 -8.08027E-02 + 4 -1.42941E-02 2.09088E-02 +4 0 *********** SCCS-asn-phe + 1 2.14472E-01 -6.53363E-01 + 2 3.62519E-01 -1.10511E-01 + 3 -7.57402E-02 3.28164E-03 + 4 -1.23714E-02 5.52818E-02 +4 0 *********** SCCS-asn-ile + 1 3.25121E-01 -7.10652E-01 + 2 3.76442E-01 1.57116E-01 + 3 1.16290E-02 -9.84483E-02 + 4 -8.25687E-03 -3.35860E-04 +4 0 *********** SCCS-asn-leu + 1 1.29184E-01 -5.84371E-01 + 2 5.58686E-01 -7.39847E-02 + 3 -5.71794E-02 -1.53406E-02 + 4 9.76635E-03 6.80307E-03 +4 0 *********** SCCS-asn-val + 1 2.15116E-01 -6.63449E-01 + 2 4.94741E-01 1.82214E-01 + 3 2.16339E-02 -1.10162E-01 + 4 -1.48604E-02 6.05498E-03 +4 0 *********** SCCS-asn-trp + 1 2.23583E-01 -7.19405E-01 + 2 2.14051E-01 -5.47469E-02 + 3 -5.78897E-02 -9.80034E-03 + 4 5.28692E-03 3.83168E-02 +4 0 *********** SCCS-asn-tyr + 1 1.74799E-01 -6.51312E-01 + 2 3.33445E-01 -1.55248E-01 + 3 -4.96369E-02 -1.86586E-02 + 4 1.13473E-04 6.49258E-02 +4 0 *********** SCCS-asn-ala + 1 3.93563E-01 -3.61207E-01 + 2 4.16689E-01 3.56767E-01 + 3 -4.80322E-02 -1.47193E-01 + 4 -1.46148E-02 -8.93927E-03 +4 0 *********** SCCS-asn-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-asn-thr + 1 3.01041E-01 -6.87682E-01 + 2 3.44749E-01 1.81216E-01 + 3 4.16396E-02 -8.47487E-02 + 4 -4.45363E-02 -4.98194E-03 +4 0 *********** SCCS-asn-ser + 1 7.09361E-01 -7.69862E-01 + 2 8.21010E-04 4.13794E-01 + 3 -1.25945E-01 6.26593E-02 + 4 -1.76184E-02 -1.81647E-02 +4 0 *********** SCCS-asn-gln + 1 2.43864E-01 -7.20861E-01 + 2 1.91086E-01 1.52343E-01 + 3 -2.69797E-02 6.76108E-03 + 4 -4.41378E-02 4.58135E-02 +4 0 *********** SCCS-asn-asn + 1 7.30592E-01 -5.65273E-01 + 2 -2.75405E-01 2.93682E-01 + 3 -2.05638E-02 -9.66590E-03 + 4 9.89644E-03 8.66577E-02 +4 0 *********** SCCS-asn-glu + 1 2.14632E-01 -7.88719E-01 + 2 2.97187E-01 1.15949E-01 + 3 -2.46968E-02 -1.43120E-03 + 4 -1.08428E-02 2.79630E-02 +4 0 *********** SCCS-asn-asp + 1 8.22186E-01 -5.80883E-01 + 2 -2.44168E-01 3.22652E-01 + 3 -1.32451E-02 2.30903E-02 + 4 1.41592E-02 7.94026E-02 +4 0 *********** SCCS-asn-his + 1 7.19791E-01 -5.65635E-01 + 2 -2.64163E-01 1.25458E-01 + 3 1.91594E-02 -1.18050E-01 + 4 3.78487E-02 5.24126E-02 +4 0 *********** SCCS-asn-arg + 1 6.43093E-02 -6.13105E-01 + 2 3.08886E-01 -7.30893E-02 + 3 -6.80516E-02 -4.40328E-02 + 4 -5.48462E-03 1.77752E-02 +4 0 *********** SCCS-asn-lys + 1 3.21498E-02 -5.46633E-01 + 2 4.33619E-01 -3.83997E-02 + 3 -2.22108E-02 -8.69999E-02 + 4 -1.23561E-03 5.22853E-03 +4 0 *********** SCCS-asn-pro + 1 7.96828E-01 -6.84591E-01 + 2 -5.26010E-02 4.56772E-01 + 3 -1.28984E-01 -2.92455E-04 + 4 1.10783E-01 -1.48442E-02 +4 0 *********** SCCS-glu-cys + 1 6.53687E-01 -4.34079E-01 + 2 1.22866E-01 1.34640E-01 + 3 -2.24722E-02 -4.32294E-02 + 4 1.06070E-02 -7.61586E-03 +4 0 *********** SCCS-glu-met + 1 2.86066E-01 -4.82459E-01 + 2 2.06963E-01 -3.97914E-03 + 3 -2.44571E-02 -3.93101E-02 + 4 -1.04628E-02 -4.58590E-03 +4 0 *********** SCCS-glu-phe + 1 2.15763E-01 -5.46055E-01 + 2 1.95022E-01 -1.48417E-01 + 3 -3.36618E-02 -1.10796E-02 + 4 -4.21384E-04 2.54868E-02 +4 0 *********** SCCS-glu-ile + 1 4.41373E-01 -5.32014E-01 + 2 2.34752E-01 2.82503E-02 + 3 -2.51430E-02 -6.01055E-02 + 4 7.50058E-03 -1.34671E-02 +4 0 *********** SCCS-glu-leu + 1 1.37141E-01 -4.97969E-01 + 2 2.90161E-01 -1.08859E-01 + 3 5.04866E-04 -1.64053E-02 + 4 -2.79236E-02 -8.20153E-03 +4 0 *********** SCCS-glu-val + 1 3.34791E-01 -5.20620E-01 + 2 3.01756E-01 2.81141E-02 + 3 -8.05096E-03 -4.20069E-02 + 4 -1.80520E-02 -3.07707E-02 +4 0 *********** SCCS-glu-trp + 1 3.03533E-01 -5.52919E-01 + 2 1.40792E-01 -4.61200E-02 + 3 -4.27719E-02 -1.67625E-02 + 4 -2.07383E-03 9.02039E-03 +4 0 *********** SCCS-glu-tyr + 1 1.99606E-01 -5.47577E-01 + 2 1.61049E-01 -1.51422E-01 + 3 -3.22340E-02 -1.13962E-02 + 4 -1.61419E-03 1.55745E-02 +4 0 *********** SCCS-glu-ala + 1 2.60662E-01 -3.28473E-01 + 2 3.02258E-01 1.58958E-01 + 3 5.30925E-03 -2.35769E-02 + 4 1.05477E-02 -3.63619E-02 +4 0 *********** SCCS-glu-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-glu-thr + 1 4.14591E-01 -4.92306E-01 + 2 2.06813E-01 1.14666E-01 + 3 1.04520E-02 -4.84441E-02 + 4 1.55668E-03 -2.39491E-02 +4 0 *********** SCCS-glu-ser + 1 8.20411E-01 -3.74788E-01 + 2 1.41651E-01 2.12538E-01 + 3 -6.21859E-03 -1.79885E-02 + 4 3.80900E-02 -4.92337E-03 +4 0 *********** SCCS-glu-gln + 1 3.76192E-01 -5.30580E-01 + 2 1.42354E-01 5.64657E-02 + 3 -5.15342E-02 -1.01811E-04 + 4 -2.54485E-02 8.47337E-03 +4 0 *********** SCCS-glu-asn + 1 6.68741E-01 -3.25679E-01 + 2 5.95386E-02 2.08143E-01 + 3 -3.75853E-02 -3.46718E-02 + 4 8.52328E-03 3.37193E-02 +4 0 *********** SCCS-glu-glu + 1 3.97863E-01 -5.90618E-01 + 2 1.81295E-01 2.15547E-02 + 3 -3.83104E-02 -5.40193E-03 + 4 -1.75773E-02 -1.93044E-03 +4 0 *********** SCCS-glu-asp + 1 7.26648E-01 -3.38866E-01 + 2 9.14696E-02 2.01477E-01 + 3 -2.62763E-03 -2.50737E-02 + 4 1.37337E-02 3.33863E-02 +4 0 *********** SCCS-glu-his + 1 6.45652E-01 -3.22105E-01 + 2 2.88133E-02 1.41654E-01 + 3 1.41278E-02 -7.41916E-02 + 4 1.84667E-02 3.66436E-02 +4 0 *********** SCCS-glu-arg + 1 1.47048E-01 -5.09324E-01 + 2 1.93342E-01 -8.72346E-02 + 3 -2.65704E-02 -3.06199E-02 + 4 -1.38107E-02 1.72608E-03 +4 0 *********** SCCS-glu-lys + 1 1.27552E-01 -4.60023E-01 + 2 2.41286E-01 -5.68118E-02 + 3 -1.10430E-02 -2.82039E-02 + 4 -1.80561E-02 -1.09528E-02 +4 0 *********** SCCS-glu-pro + 1 8.38284E-01 -3.23945E-01 + 2 1.06881E-01 1.92895E-01 + 3 5.24047E-02 -7.01651E-02 + 4 1.19062E-01 1.62763E-02 +4 0 *********** SCCS-asp-cys + 1 4.83105E-01 -8.50263E-01 + 2 -4.11716E-02 3.00082E-01 + 3 3.82279E-02 -1.71003E-01 + 4 -8.20459E-02 -5.36035E-02 +4 0 *********** SCCS-asp-met + 1 1.40426E-01 -6.26797E-01 + 2 2.56246E-01 1.79435E-01 + 3 -2.10572E-02 -1.16520E-01 + 4 -4.84116E-02 3.00437E-02 +4 0 *********** SCCS-asp-phe + 1 1.56568E-01 -6.37251E-01 + 2 3.27439E-01 1.39893E-02 + 3 -1.14869E-01 -8.95667E-03 + 4 -2.77096E-02 6.44187E-02 +4 0 *********** SCCS-asp-ile + 1 2.15592E-01 -7.70118E-01 + 2 2.70457E-01 2.89710E-01 + 3 3.17738E-03 -1.85282E-01 + 4 -6.27790E-02 2.14411E-02 +4 0 *********** SCCS-asp-leu + 1 -2.93893E-02 -5.75986E-01 + 2 5.44014E-01 1.32738E-01 + 3 -1.10651E-01 -3.60087E-02 + 4 2.26130E-02 4.31327E-02 +4 0 *********** SCCS-asp-val + 1 1.07323E-01 -7.01274E-01 + 2 3.61795E-01 3.45811E-01 + 3 -1.24262E-02 -1.76175E-01 + 4 -7.10526E-02 3.98444E-02 +4 0 *********** SCCS-asp-trp + 1 1.86159E-01 -7.22919E-01 + 2 1.85783E-01 4.21482E-02 + 3 -9.32844E-02 -5.54396E-02 + 4 -2.55758E-02 6.06168E-02 +4 0 *********** SCCS-asp-tyr + 1 1.39018E-01 -6.33202E-01 + 2 3.11716E-01 -1.63136E-02 + 3 -9.24718E-02 -1.39666E-02 + 4 -3.23903E-02 7.58724E-02 +4 0 *********** SCCS-asp-ala + 1 2.56086E-01 -3.90897E-01 + 2 2.57773E-01 4.97315E-01 + 3 5.59778E-03 -1.74054E-01 + 4 -5.38422E-02 1.42699E-02 +4 0 *********** SCCS-asp-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-asp-thr + 1 2.03327E-01 -7.52847E-01 + 2 2.11769E-01 3.13518E-01 + 3 4.13921E-02 -1.45323E-01 + 4 -7.74979E-02 -1.39205E-02 +4 0 *********** SCCS-asp-ser + 1 7.12075E-01 -9.85017E-01 + 2 -3.08707E-01 2.23254E-01 + 3 1.47396E-02 -5.12763E-02 + 4 1.54081E-02 -1.22346E-01 +4 0 *********** SCCS-asp-gln + 1 2.21200E-01 -7.68690E-01 + 2 7.23771E-02 2.11751E-01 + 3 -5.61602E-02 -5.74124E-02 + 4 -8.91043E-02 3.00415E-02 +4 0 *********** SCCS-asp-asn + 1 6.98852E-01 -7.09029E-01 + 2 -4.32059E-01 1.42390E-01 + 3 -3.93393E-03 -5.02545E-02 + 4 -5.04558E-02 -6.01278E-04 +4 0 *********** SCCS-asp-glu + 1 1.65649E-01 -8.47903E-01 + 2 1.61248E-01 2.23107E-01 + 3 -6.72565E-02 -6.83504E-02 + 4 -7.00816E-02 4.97329E-02 +4 0 *********** SCCS-asp-asp + 1 7.63495E-01 -7.65348E-01 + 2 -4.52690E-01 1.51719E-01 + 3 1.68828E-02 -3.35116E-02 + 4 -2.09857E-02 -2.80251E-02 +4 0 *********** SCCS-asp-his + 1 7.10676E-01 -6.82044E-01 + 2 -3.51444E-01 1.93903E-02 + 3 8.86603E-02 -1.24592E-01 + 4 3.95921E-04 -1.62392E-02 +4 0 *********** SCCS-asp-arg + 1 2.65954E-02 -6.09657E-01 + 2 3.01188E-01 6.08210E-02 + 3 -7.38203E-02 -6.21253E-02 + 4 -1.07636E-02 3.65483E-02 +4 0 *********** SCCS-asp-lys + 1 -3.73791E-02 -5.56543E-01 + 2 4.02407E-01 1.23485E-01 + 3 -2.51472E-02 -9.55247E-02 + 4 -2.21670E-02 3.51783E-02 +4 0 *********** SCCS-asp-pro + 1 9.73967E-01 -1.11933E+00 + 2 -3.14059E-01 2.47529E-01 + 3 9.04799E-02 -1.17972E-01 + 4 1.73933E-01 -1.08927E-01 +4 0 *********** SCCS-his-cys + 1 7.27451E-01 -6.17263E-01 + 2 2.24001E-01 1.86860E-01 + 3 -1.29393E-01 -4.74275E-02 + 4 -4.47830E-03 2.39322E-02 +4 0 *********** SCCS-his-met + 1 2.94987E-01 -5.94858E-01 + 2 3.46150E-01 -1.93141E-02 + 3 -5.02700E-02 -5.86869E-02 + 4 -1.14174E-02 -3.22966E-03 +4 0 *********** SCCS-his-phe + 1 2.56331E-01 -6.65620E-01 + 2 3.20692E-01 -2.39858E-01 + 3 -2.38650E-02 -6.01628E-02 + 4 -2.90476E-03 4.87464E-02 +4 0 *********** SCCS-his-ile + 1 5.14914E-01 -6.54449E-01 + 2 3.89567E-01 6.45248E-02 + 3 -1.23832E-02 -9.75621E-02 + 4 1.81857E-02 -2.40620E-02 +4 0 *********** SCCS-his-leu + 1 2.11255E-01 -6.01120E-01 + 2 4.80494E-01 -1.65429E-01 + 3 -3.59946E-02 -3.36199E-02 + 4 -2.83814E-02 -2.57269E-02 +4 0 *********** SCCS-his-val + 1 3.45382E-01 -6.25744E-01 + 2 5.10689E-01 6.28737E-02 + 3 5.24011E-02 -5.08175E-02 + 4 5.49148E-04 -7.00880E-02 +4 0 *********** SCCS-his-trp + 1 3.30128E-01 -6.99195E-01 + 2 1.86006E-01 -9.33053E-02 + 3 -8.47779E-02 2.85921E-03 + 4 5.21840E-03 2.78977E-02 +4 0 *********** SCCS-his-tyr + 1 2.05324E-01 -6.55546E-01 + 2 2.52059E-01 -2.50816E-01 + 3 -4.66802E-02 -7.38547E-02 + 4 -1.96874E-02 4.25820E-02 +4 0 *********** SCCS-his-ala + 1 3.78082E-01 -3.77172E-01 + 2 4.30375E-01 2.55483E-01 + 3 -3.69011E-02 -1.48321E-01 + 4 3.08071E-03 -8.23733E-02 +4 0 *********** SCCS-his-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-his-thr + 1 4.59510E-01 -6.14091E-01 + 2 3.88660E-01 1.39503E-01 + 3 -1.34841E-03 -6.82452E-02 + 4 9.93568E-03 -3.76383E-02 +4 0 *********** SCCS-his-ser + 1 9.85580E-01 -5.45681E-01 + 2 2.59144E-01 3.51969E-01 + 3 -1.14864E-01 1.59596E-02 + 4 2.50892E-02 2.75788E-02 +4 0 *********** SCCS-his-gln + 1 3.80313E-01 -6.76119E-01 + 2 2.07198E-01 7.93258E-02 + 3 -9.89995E-02 4.14622E-02 + 4 -3.20785E-02 3.47803E-02 +4 0 *********** SCCS-his-asn + 1 7.73626E-01 -5.06495E-01 + 2 5.64873E-02 3.00441E-01 + 3 -1.26639E-01 -2.65754E-02 + 4 -2.40404E-02 3.74091E-02 +4 0 *********** SCCS-his-glu + 1 4.12108E-01 -7.48491E-01 + 2 2.82602E-01 2.33478E-02 + 3 -8.39211E-02 3.42983E-02 + 4 -4.87447E-03 1.51172E-02 +4 0 *********** SCCS-his-asp + 1 8.79814E-01 -5.19494E-01 + 2 9.46259E-02 2.93607E-01 + 3 -6.31803E-02 -1.92788E-02 + 4 6.62348E-03 4.73476E-02 +4 0 *********** SCCS-his-his + 1 7.89513E-01 -4.79056E-01 + 2 -5.00126E-02 1.48417E-01 + 3 5.22344E-03 -1.41744E-01 + 4 2.22199E-02 3.77415E-02 +4 0 *********** SCCS-his-arg + 1 1.23988E-01 -6.17788E-01 + 2 2.74559E-01 -1.55957E-01 + 3 -5.46513E-02 -4.57139E-02 + 4 -1.21850E-02 5.37295E-03 +4 0 *********** SCCS-his-lys + 1 1.36874E-01 -5.49372E-01 + 2 3.98429E-01 -9.82276E-02 + 3 -2.89139E-02 -6.02261E-02 + 4 -1.21036E-02 -2.68769E-02 +4 0 *********** SCCS-his-pro + 1 1.11445E+00 -2.83047E-01 + 2 9.70944E-02 5.11328E-01 + 3 -1.58876E-01 -9.94195E-02 + 4 5.62044E-02 1.22755E-02 +4 0 *********** SCCS-arg-cys + 1 4.83043E-01 8.05269E-02 + 2 6.62858E-02 -8.76990E-02 + 3 6.52651E-03 -6.39895E-02 + 4 4.58964E-02 -2.81111E-02 +4 0 *********** SCCS-arg-met + 1 3.53757E-01 -7.83721E-02 + 2 -5.05327E-02 -3.53860E-02 + 3 -2.23256E-02 -8.98578E-03 + 4 -7.23374E-03 -1.07788E-02 +4 0 *********** SCCS-arg-phe + 1 3.49698E-01 -1.42041E-01 + 2 -5.78637E-02 1.33073E-02 + 3 -3.96744E-02 1.13751E-02 + 4 -2.68967E-02 -6.88529E-03 +4 0 *********** SCCS-arg-ile + 1 4.26213E-01 -4.48649E-02 + 2 -4.21672E-02 -6.42310E-02 + 3 -2.25076E-02 -2.02787E-02 + 4 5.51533E-03 -2.68091E-02 +4 0 *********** SCCS-arg-leu + 1 3.31689E-01 -1.79217E-01 + 2 -1.02750E-01 1.43590E-02 + 3 -4.89729E-02 -1.11282E-02 + 4 -5.22584E-02 -6.73114E-03 +4 0 *********** SCCS-arg-val + 1 4.01014E-01 -9.47134E-02 + 2 -7.88450E-02 -5.46381E-02 + 3 -3.42643E-02 -1.56198E-02 + 4 -8.53573E-03 -3.14686E-02 +4 0 *********** SCCS-arg-trp + 1 3.77877E-01 -8.81707E-02 + 2 -3.52631E-02 -4.05910E-02 + 3 -2.28127E-02 3.00764E-03 + 4 -6.61293E-03 -4.39263E-03 +4 0 *********** SCCS-arg-tyr + 1 3.39202E-01 -1.48287E-01 + 2 -5.09901E-02 1.29384E-02 + 3 -3.12958E-02 1.89707E-02 + 4 -2.79499E-02 4.51563E-03 +4 0 *********** SCCS-arg-ala + 1 3.27350E-01 -4.65648E-04 + 2 -9.34329E-02 -7.20440E-02 + 3 1.54437E-02 -5.41022E-02 + 4 1.50233E-02 -4.27157E-02 +4 0 *********** SCCS-arg-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-arg-thr + 1 4.16188E-01 -3.96263E-02 + 2 -3.05151E-02 -8.98761E-02 + 3 -2.15470E-02 -1.76025E-02 + 4 1.75198E-03 -2.62010E-02 +4 0 *********** SCCS-arg-ser + 1 5.40146E-01 1.60164E-01 + 2 8.56227E-02 -9.98365E-02 + 3 7.71265E-02 -9.15047E-02 + 4 8.31182E-02 -6.66454E-03 +4 0 *********** SCCS-arg-gln + 1 4.17829E-01 -5.23332E-02 + 2 -2.02148E-02 -7.96567E-02 + 3 -1.86421E-02 -2.05454E-02 + 4 -1.04838E-02 -2.17097E-02 +4 0 *********** SCCS-arg-asn + 1 4.80883E-01 2.07288E-01 + 2 7.02761E-02 -8.66131E-02 + 3 9.76470E-02 1.62622E-02 + 4 1.65610E-02 4.60411E-02 +4 0 *********** SCCS-arg-glu + 1 4.40522E-01 -8.51300E-02 + 2 -2.89210E-02 -8.43066E-02 + 3 -3.20608E-02 -2.20732E-02 + 4 -1.69003E-02 -2.84614E-02 +4 0 *********** SCCS-arg-asp + 1 5.04984E-01 2.16997E-01 + 2 7.50359E-02 -7.60829E-02 + 3 8.80974E-02 1.85290E-02 + 4 2.88681E-02 5.98583E-02 +4 0 *********** SCCS-arg-his + 1 4.58552E-01 2.17691E-01 + 2 7.71597E-02 -6.47595E-02 + 3 7.36474E-02 3.91082E-02 + 4 2.24069E-02 6.55631E-02 +4 0 *********** SCCS-arg-arg + 1 3.17884E-01 -1.55971E-01 + 2 -6.93383E-02 -8.30403E-03 + 3 -2.72502E-02 7.38191E-03 + 4 -1.98515E-02 -8.58105E-03 +4 0 *********** SCCS-arg-lys + 1 2.94370E-01 -1.55508E-01 + 2 -8.09118E-02 4.41482E-03 + 3 -2.38380E-02 -4.36194E-04 + 4 -2.67591E-02 -3.07623E-03 +4 0 *********** SCCS-arg-pro + 1 4.93755E-01 1.94671E-01 + 2 1.71186E-01 -8.91925E-02 + 3 6.69637E-02 -5.68402E-02 + 4 9.32563E-02 2.49224E-02 +4 0 *********** SCCS-lys-cys + 1 5.93637E-01 1.04087E-01 + 2 8.60939E-03 -2.48690E-01 + 3 1.00929E-01 -3.66544E-02 + 4 8.48823E-03 1.28443E-02 +4 0 *********** SCCS-lys-met + 1 4.19430E-01 -9.45382E-02 + 2 -1.73812E-01 -5.18851E-02 + 3 -1.23521E-02 -1.82211E-02 + 4 1.71650E-02 7.00269E-03 +4 0 *********** SCCS-lys-phe + 1 4.05854E-01 -1.52236E-01 + 2 -1.83981E-01 5.43363E-02 + 3 -4.01237E-02 -2.99043E-02 + 4 1.69326E-02 -1.75676E-02 +4 0 *********** SCCS-lys-ile + 1 5.11302E-01 -6.84253E-02 + 2 -1.73310E-01 -1.33269E-01 + 3 -7.38912E-03 -3.75648E-02 + 4 1.06053E-02 1.21083E-02 +4 0 *********** SCCS-lys-leu + 1 3.68681E-01 -2.04273E-01 + 2 -2.82440E-01 6.06387E-02 + 3 -3.11424E-02 -2.11212E-02 + 4 2.68833E-02 -6.60880E-03 +4 0 *********** SCCS-lys-val + 1 4.66384E-01 -1.32438E-01 + 2 -2.51764E-01 -1.04951E-01 + 3 -2.44270E-02 -4.50107E-02 + 4 1.81820E-02 1.12568E-02 +4 0 *********** SCCS-lys-trp + 1 4.62284E-01 -1.11394E-01 + 2 -1.27965E-01 -4.37476E-02 + 3 -7.59629E-03 -2.61331E-02 + 4 1.23499E-02 -8.34634E-03 +4 0 *********** SCCS-lys-tyr + 1 3.95190E-01 -1.53017E-01 + 2 -1.61562E-01 6.64359E-02 + 3 -4.03208E-02 -1.81493E-02 + 4 1.39083E-02 -2.17163E-02 +4 0 *********** SCCS-lys-ala + 1 3.43197E-01 -5.33229E-03 + 2 -2.45017E-01 -1.66817E-01 + 3 1.80786E-02 1.62145E-02 + 4 4.71477E-03 2.23686E-02 +4 0 *********** SCCS-lys-gly + 1 0.00000E+00 0.00000E+00 + 2 0.00000E+00 0.00000E+00 + 3 0.00000E+00 0.00000E+00 + 4 0.00000E+00 0.00000E+00 +4 0 *********** SCCS-lys-thr + 1 5.08714E-01 -7.02501E-02 + 2 -1.65888E-01 -1.67768E-01 + 3 -8.46236E-03 -4.49925E-02 + 4 5.11848E-03 1.53504E-02 +4 0 *********** SCCS-lys-ser + 1 6.66779E-01 1.85446E-01 + 2 1.05165E-01 -3.11994E-01 + 3 1.85471E-01 -3.31472E-02 + 4 2.66693E-02 8.10383E-03 +4 0 *********** SCCS-lys-gln + 1 5.14197E-01 -7.03192E-02 + 2 -1.20402E-01 -1.49961E-01 + 3 1.55007E-02 -6.07030E-02 + 4 1.40581E-02 8.34558E-04 +4 0 *********** SCCS-lys-asn + 1 5.96174E-01 2.14942E-01 + 2 1.61615E-01 -2.48920E-01 + 3 9.87628E-02 5.68328E-02 + 4 4.13750E-02 -1.46832E-02 +4 0 *********** SCCS-lys-glu + 1 5.42539E-01 -1.13554E-01 + 2 -1.62501E-01 -1.45900E-01 + 3 -2.64756E-03 -7.16020E-02 + 4 1.43699E-02 -1.54648E-03 +4 0 *********** SCCS-lys-asp + 1 6.29323E-01 2.29069E-01 + 2 1.65640E-01 -2.47336E-01 + 3 1.15160E-01 4.80810E-02 + 4 3.50094E-02 -6.00468E-03 +4 0 *********** SCCS-lys-his + 1 5.64122E-01 2.42482E-01 + 2 1.81004E-01 -1.78154E-01 + 3 5.88946E-02 7.53375E-02 + 4 2.06019E-02 3.69907E-04 +4 0 *********** SCCS-lys-arg + 1 3.75256E-01 -1.84567E-01 + 2 -1.80690E-01 3.21784E-02 + 3 -2.70698E-02 -2.71976E-03 + 4 1.32207E-02 -1.26064E-02 +4 0 *********** SCCS-lys-lys + 1 3.42418E-01 -1.84838E-01 + 2 -2.23634E-01 3.89768E-02 + 3 -3.39660E-02 4.62144E-03 + 4 1.60552E-02 -8.28990E-04 +4 0 *********** SCCS-lys-pro + 1 7.37156E-01 2.16273E-01 + 2 2.48115E-01 -3.27222E-01 + 3 2.35046E-01 1.41540E-02 + 4 6.93851E-02 7.56463E-03 +4 0 *********** SCCS-pro-cys + 1 1.13780E-02 -1.23190E+00 + 2 4.30319E-01 -1.21847E-02 + 3 -1.90232E-01 -7.70950E-02 + 4 4.58235E-02 1.06327E-01 +4 0 *********** SCCS-pro-met + 1 -1.84507E-01 -7.35658E-01 + 2 2.87352E-01 -2.79193E-01 + 3 -1.81757E-01 8.84524E-03 + 4 3.74601E-02 3.79035E-03 +4 0 *********** SCCS-pro-phe + 1 -1.14972E-01 -8.53847E-01 + 2 5.74763E-02 -4.44151E-01 + 3 -9.15213E-02 1.21792E-01 + 4 2.42959E-02 2.01774E-03 +4 0 *********** SCCS-pro-ile + 1 -1.03687E-01 -9.86016E-01 + 2 3.98442E-01 -3.27663E-01 + 3 -2.79029E-01 -7.41475E-02 + 4 4.12773E-02 2.16419E-02 +4 0 *********** SCCS-pro-leu + 1 -2.05953E-01 -6.91923E-01 + 2 2.85752E-01 -6.85504E-01 + 3 -1.60724E-01 1.19944E-01 + 4 -6.45520E-02 -6.42387E-02 +4 0 *********** SCCS-pro-val + 1 -1.85155E-01 -8.48909E-01 + 2 5.64419E-01 -3.99767E-01 + 3 -3.07340E-01 -7.26555E-02 + 4 6.37718E-02 -5.04584E-02 +4 0 *********** SCCS-pro-trp + 1 -1.72140E-01 -9.14169E-01 + 2 1.95891E-02 -2.67473E-01 + 3 -1.08564E-01 1.07980E-01 + 4 7.27866E-02 1.27050E-02 +4 0 *********** SCCS-pro-tyr + 1 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*********** SCCS-pro-glu + 1 -2.83068E-01 -1.01776E+00 + 2 2.88416E-01 -2.00060E-01 + 3 -1.28540E-01 4.60875E-03 + 4 1.04337E-01 1.33568E-02 +4 0 *********** SCCS-pro-asp + 1 5.38418E-01 -1.43528E+00 + 2 1.54838E-02 4.69489E-01 + 3 1.64083E-01 -7.46719E-02 + 4 -4.17517E-03 1.51138E-02 +4 0 *********** SCCS-pro-his + 1 4.45082E-01 -1.23950E+00 + 2 -1.94661E-01 2.57807E-01 + 3 -1.00110E-01 -6.75693E-02 + 4 -7.17474E-02 5.71482E-02 +4 0 *********** SCCS-pro-arg + 1 -2.70182E-01 -6.77603E-01 + 2 1.11620E-01 -3.38473E-01 + 3 -1.12996E-01 9.27559E-02 + 4 1.13361E-02 -5.10264E-03 +4 0 *********** SCCS-pro-lys + 1 -3.12404E-01 -5.56698E-01 + 2 2.96887E-01 -4.31599E-01 + 3 -1.84841E-01 2.85067E-02 + 4 1.47292E-02 -1.92123E-02 +4 0 *********** SCCS-pro-pro + 1 4.75981E-01 -3.04401E+00 + 2 1.03330E-01 2.29809E-01 + 3 -2.61299E-01 -3.79309E-01 + 4 -2.52541E-01 6.54833E-01 diff --git a/PARAM/scinter_GBV_extGB.parm b/PARAM/scinter_GBV_extGB.parm new file mode 100644 index 0000000..fe17f1c --- 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3684.414 + -1208.961 + 271.1348 + -31.18933 + 0.1031111 + -8.3826534E-02 + -0.2264047 + 3.0878017E-02 + -4.6132430E-02 + -2.1875936E-03 + -5.7091814E-02 + 1.9107254E-02 + -8.4344953E-02 + 1.1010687E-02 + -5.7180941E-02 + -8.7391480E-04 + 158.9052 + 61.37233 + -152.1055 + -23.93852 + 35.85938 + 23.00046 + 26.71706 + 17.94985 + 107.3253 + -74.33009 + -74.55779 + 35.15229 + -0.1334715 + 0.1238911 + 0.2442138 + -4.2680003E-02 + 6.2944643E-02 + 8.6120404E-03 + 7.0832230E-02 + -2.8430238E-02 + 0.1021790 + -2.0286459E-02 + 9.7865738E-02 + -2.6429403E-03 + -220.4456 + -104.3678 + 193.8495 + 25.78807 + -45.12622 + -26.35630 + 1.202131 + -5.950501 + -147.2404 + 87.83215 + 94.66054 + -46.49147 + 8.1365675E-02 + -8.5221626E-02 + -0.1257297 + 2.8256383E-02 + -4.1342024E-02 + -8.9257713E-03 + -4.2589854E-02 + 2.0942392E-02 + -6.1351366E-02 + 1.6222589E-02 + -7.5461783E-02 + 3.7403714E-03 + 154.0847 + 78.66828 + -122.9109 + -14.26537 + 27.99301 + 15.48400 + -26.11908 + -3.871378 + 101.4292 + -53.30573 + -60.18475 + 30.35409 + -2.9541567E-02 + 3.7588563E-02 + 2.4946695E-02 + -1.1188255E-02 + 1.6433999E-02 + 4.9129976E-03 + 1.1623231E-02 + -7.6237740E-03 + 1.7831307E-02 + -7.5918161E-03 + 3.4355741E-02 + -2.7162447E-03 + -54.80663 + -42.84286 + 40.22229 + 1.240421 + -9.032122 + -2.943168 + 24.95329 + 13.86498 + -39.30464 + 11.76576 + 20.48846 + -11.12387 + -7.1608022E-02 + 3.5584066E-02 + -2.0582635E-02 + 8.7066449E-02 + 2.6612367E-02 + -4.5444228E-02 + 0.1303590 + -0.1111614 + 0.1000274 + 1.6263640E-02 + 8.7144710E-02 + -0.1378552 + -4.0331300E-02 + -9.5658693E-03 + -5.6459874E-02 + 1.5467360E-02 + -2.6439713E-02 + -5.2557173E-03 + -6.2349420E-02 + 9.9208161E-02 + 0.1361632 + 1.2831694E-02 + -0.2574936 + 0.2638141 + 0.1090910 + -6.5480500E-02 + 3.8706210E-02 + -0.1252768 + -3.7999891E-02 + 6.4177416E-02 + -0.1677951 + 0.1481414 + -0.1347214 + -1.5331365E-02 + -0.1309696 + 0.1939584 + 4.7717128E-02 + 1.8072767E-02 + 6.4959258E-02 + -1.5106858E-02 + 2.7461417E-02 + -5.0757551E-03 + 9.8153248E-02 + -0.1361066 + -0.1414885 + 1.0891913E-02 + 0.3703385 + -0.3747290 + -7.7770539E-02 + 5.1273897E-02 + -3.2598436E-02 + 8.8780545E-02 + 3.1091060E-02 + -4.3314029E-02 + 0.1070941 + -9.7703770E-02 + 8.6617872E-02 + 8.7651433E-03 + 9.3133159E-02 + -0.1323690 + -2.6638107E-02 + -1.1997647E-02 + -3.6536358E-02 + 6.9236760E-03 + -1.6913574E-02 + 9.7359857E-03 + -7.6541364E-02 + 9.2509352E-02 + 6.5237902E-02 + -3.0115316E-02 + -0.2502348 + 0.2534153 + 3.7055217E-02 + -2.8782053E-02 + 1.5815204E-02 + -3.5441872E-02 + -1.1400733E-02 + 1.8921519E-02 + -3.5925221E-02 + 3.7552673E-02 + -3.4603976E-02 + 1.0591260E-03 + -4.1209765E-02 + 5.2901961E-02 + 5.6348932E-03 + 6.7563592E-03 + 9.3315598E-03 + 1.0719898E-03 + 2.5631790E-03 + -1.0233232E-02 + 3.4986563E-02 + -3.8358167E-02 + -5.0319121E-03 + 2.1804750E-02 + 0.1086298 + -0.1057254 diff --git a/PARAM/tor_opt_iter0_7prot-eps.parm b/PARAM/tor_opt_iter0_7prot-eps.parm new file mode 100644 index 0000000..cd0a229 --- /dev/null +++ b/PARAM/tor_opt_iter0_7prot-eps.parm @@ -0,0 +1,252 @@ +3 *** Optimized torsional parameters 7p_wham_last *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 +6 0 ** Gly-D-Pro-reg + 1 -1.02141E+00 -1.21787E+00 + 2 2.66194E-03 1.01052E-02 + 3 1.41880E-02 -1.29145E-02 + 4 -5.54912E-02 -1.54449E-02 + 5 2.72669E-02 4.68748E-02 + 6 7.92569E-03 -3.12502E-02 +6 0 ** Gly-D-Ala-reg + 1 9.97046E-02 2.66476E-01 + 2 -1.69687E-02 -4.91316E-02 + 3 2.50219E-01 -6.24989E-02 + 4 -1.52445E-01 -1.24202E-01 + 5 -9.21242E-03 -9.52846E-04 + 6 6.34622E-03 -4.58307E-03 + 6 0 ************ G-G + 1 2.91221E-01 0.00000E+00 + 2 1.97221E-01 0.00000E+00 + 3 3.47215E-02 0.00000E+00 + 4 -1.25868E-01 0.00000E+00 + 5 -8.07275E-02 0.00000E+00 + 6 -3.07820E-03 0.00000E+00 + 6 0 ************ G-A + 1 1.37258E-01 -1.87823E-01 + 2 -3.24314E-03 -1.14115E-01 + 3 1.00886E-01 6.20938E-02 + 4 -1.24448E-01 1.61747E-01 + 5 -1.22389E-02 1.29629E-01 + 6 1.18244E-02 -7.32819E-02 +10 0 ************ G-P + 1 -2.35280E-01 4.47825E-01 + 2 2.25332E-01 4.39143E-01 + 3 8.54137E-02 -3.13391E-02 + 4 9.34821E-04 -5.34886E-03 + 5 1.29469E-01 2.38018E-01 + 6 -1.67401E-01 1.36767E-01 + 7 -9.09952E-03 -1.50380E-01 + 8 1.59178E-01 1.58505E-02 + 9 -5.07021E-02 9.02235E-02 + 10 -2.74002E-02 3.70860E-02 +6 0 ** L-Ala-D-Pro-reg + 1 -3.67336E+00 1.98471E+00 + 2 -6.26727E-01 -8.14864E-02 + 3 2.43704E-02 -1.02431E+00 + 4 3.16312E-01 1.87132E-01 + 5 2.66420E-01 1.43927E-01 + 6 -2.65977E-01 5.94169E-02 +6 0 ** L-Ala-D-Ala-reg + 1 -7.75462E-01 4.16758E-01 + 2 2.23510E-02 6.78839E-02 + 3 2.54868E-01 -8.31567E-02 + 4 -7.10523E-02 -1.74577E-01 + 5 3.33282E-02 3.98392E-02 + 6 1.56054E-04 -1.41661E-02 + 6 0 ************ A-G + 1 -2.29844E-01 8.10157E-02 + 2 -7.16965E-02 8.72173E-02 + 3 3.14208E-01 -5.35383E-02 + 4 -2.02452E-01 -6.71549E-02 + 5 6.37359E-02 -3.21902E-02 + 6 1.20409E-02 -4.77091E-02 + 6 0 ************ A-A + 1 4.84934E-01 1.01827E-01 + 2 2.02908E-01 -1.57752E-01 + 3 1.83892E-01 -9.11332E-03 + 4 -5.50573E-02 3.62865E-02 + 5 2.01397E-02 1.58844E-02 + 6 6.37922E-03 2.45381E-03 +10 0 ************ A-P + 1 1.05440E+00 1.99420E+00 + 2 4.15367E-01 2.58231E-01 + 3 4.38811E-01 1.78360E-01 + 4 -6.03233E-02 1.44596E-01 + 5 -1.32748E-01 -8.30658E-02 + 6 7.92515E-02 -1.23210E-01 + 7 1.46959E-01 9.69035E-02 + 8 -8.27696E-02 2.19985E-01 + 9 -2.20971E-01 9.42558E-04 + 10 -2.11828E-02 -3.91532E-02 +6 0 ** L-Pro-D-Pro-reg + 1 -3.40143E+00 -3.68917E+00 + 2 -1.79356E+00 1.27378E+00 + 3 1.52538E+00 1.51128E-01 + 4 -1.16399E-01 -9.80625E-01 + 5 -5.43709E-01 4.32254E-01 + 6 3.39955E-01 1.28204E-01 +6 0 ** L-Pro-D-Ala-reg + 1 -7.91570E-01 1.00745E+00 + 2 2.89816E-03 -1.42421E-01 + 3 2.00092E-01 -1.46860E-01 + 4 4.75906E-02 1.23842E-01 + 5 -2.88990E-02 -2.23460E-02 + 6 8.92327E-03 -2.80002E-02 +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -5.30371E-01 -3.79838E-03 + 2 6.32663E-02 -1.09521E-01 + 3 1.21519E-01 8.43223E-03 + 4 -7.80575E-03 3.76829E-02 + 5 -4.82717E-02 -4.37033E-02 + 6 -1.47599E-02 9.06497E-02 + 7 4.59200E-02 2.27528E-02 + 8 -7.44594E-02 4.24939E-02 + 9 -4.90352E-02 -2.08349E-02 + 10 -8.46346E-02 -1.07298E-02 +10 0 ************ P-P + 1 4.23486E+00 7.87119E-01 + 2 2.59217E+00 -3.33044E-01 + 3 1.24864E+00 -4.98088E-01 + 4 1.16294E-01 -1.79001E-01 + 5 -9.55402E-01 1.83034E-01 + 6 -1.87536E+00 2.47282E-01 + 7 -2.44663E+00 5.47506E-01 + 8 -2.27142E+00 8.14203E-01 + 9 -1.33942E+00 7.88906E-01 + 10 -4.40969E-01 2.69137E-01 +6 0 ** Gly-D-Pro-reg + 1 -1.02141E+00 -1.21787E+00 + 2 2.66194E-03 1.01052E-02 + 3 1.41880E-02 -1.29145E-02 + 4 -5.54912E-02 -1.54449E-02 + 5 2.72669E-02 4.68748E-02 + 6 7.92569E-03 -3.12502E-02 +6 0 ** Gly-D-Ala-reg + 1 9.97046E-02 2.66476E-01 + 2 -1.69687E-02 -4.91316E-02 + 3 2.50219E-01 -6.24989E-02 + 4 -1.52445E-01 -1.24202E-01 + 5 -9.21242E-03 -9.52846E-04 + 6 6.34622E-03 -4.58307E-03 + 6 0 ************ G-G + 1 2.91221E-01 0.00000E+00 + 2 1.97221E-01 0.00000E+00 + 3 3.47215E-02 0.00000E+00 + 4 -1.25868E-01 0.00000E+00 + 5 -8.07275E-02 0.00000E+00 + 6 -3.07820E-03 0.00000E+00 + 6 0 ************ G-A + 1 1.37258E-01 -1.87823E-01 + 2 -3.24314E-03 -1.14115E-01 + 3 1.00886E-01 6.20938E-02 + 4 -1.24448E-01 1.61747E-01 + 5 -1.22389E-02 1.29629E-01 + 6 1.18244E-02 -7.32819E-02 +10 0 ************ G-P + 1 -2.35280E-01 4.47825E-01 + 2 2.25332E-01 4.39143E-01 + 3 8.54137E-02 -3.13391E-02 + 4 9.34821E-04 -5.34886E-03 + 5 1.29469E-01 2.38018E-01 + 6 -1.67401E-01 1.36767E-01 + 7 -9.09952E-03 -1.50380E-01 + 8 1.59178E-01 1.58505E-02 + 9 -5.07021E-02 9.02235E-02 + 10 -2.74002E-02 3.70860E-02 +6 0 ** L-Ala-D-Pro-reg + 1 -3.67336E+00 1.98471E+00 + 2 -6.26727E-01 -8.14864E-02 + 3 2.43704E-02 -1.02431E+00 + 4 3.16312E-01 1.87132E-01 + 5 2.66420E-01 1.43927E-01 + 6 -2.65977E-01 5.94169E-02 +6 0 ** L-Ala-D-Ala-reg + 1 -7.75462E-01 4.16758E-01 + 2 2.23510E-02 6.78839E-02 + 3 2.54868E-01 -8.31567E-02 + 4 -7.10523E-02 -1.74577E-01 + 5 3.33282E-02 3.98392E-02 + 6 1.56054E-04 -1.41661E-02 + 6 0 ************ A-G + 1 -2.29844E-01 8.10157E-02 + 2 -7.16965E-02 8.72173E-02 + 3 3.14208E-01 -5.35383E-02 + 4 -2.02452E-01 -6.71549E-02 + 5 6.37359E-02 -3.21902E-02 + 6 1.20409E-02 -4.77091E-02 + 6 0 ************ A-A + 1 4.84934E-01 1.01827E-01 + 2 2.02908E-01 -1.57752E-01 + 3 1.83892E-01 -9.11332E-03 + 4 -5.50573E-02 3.62865E-02 + 5 2.01397E-02 1.58844E-02 + 6 6.37922E-03 2.45381E-03 +10 0 ************ A-P + 1 1.05440E+00 1.99420E+00 + 2 4.15367E-01 2.58231E-01 + 3 4.38811E-01 1.78360E-01 + 4 -6.03233E-02 1.44596E-01 + 5 -1.32748E-01 -8.30658E-02 + 6 7.92515E-02 -1.23210E-01 + 7 1.46959E-01 9.69035E-02 + 8 -8.27696E-02 2.19985E-01 + 9 -2.20971E-01 9.42558E-04 + 10 -2.11828E-02 -3.91532E-02 +6 0 ** L-Pro-D-Pro-reg + 1 -3.40143E+00 -3.68917E+00 + 2 -1.79356E+00 1.27378E+00 + 3 1.52538E+00 1.51128E-01 + 4 -1.16399E-01 -9.80625E-01 + 5 -5.43709E-01 4.32254E-01 + 6 3.39955E-01 1.28204E-01 +6 0 ** L-Pro-D-Ala-reg + 1 -7.91570E-01 1.00745E+00 + 2 2.89816E-03 -1.42421E-01 + 3 2.00092E-01 -1.46860E-01 + 4 4.75906E-02 1.23842E-01 + 5 -2.88990E-02 -2.23460E-02 + 6 8.92327E-03 -2.80002E-02 +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -5.30371E-01 -3.79838E-03 + 2 6.32663E-02 -1.09521E-01 + 3 1.21519E-01 8.43223E-03 + 4 -7.80575E-03 3.76829E-02 + 5 -4.82717E-02 -4.37033E-02 + 6 -1.47599E-02 9.06497E-02 + 7 4.59200E-02 2.27528E-02 + 8 -7.44594E-02 4.24939E-02 + 9 -4.90352E-02 -2.08349E-02 + 10 -8.46346E-02 -1.07298E-02 +10 0 ************ P-P + 1 4.23486E+00 7.87119E-01 + 2 2.59217E+00 -3.33044E-01 + 3 1.24864E+00 -4.98088E-01 + 4 1.16294E-01 -1.79001E-01 + 5 -9.55402E-01 1.83034E-01 + 6 -1.87536E+00 2.47282E-01 + 7 -2.44663E+00 5.47506E-01 + 8 -2.27142E+00 8.14203E-01 + 9 -1.33942E+00 7.88906E-01 + 10 -4.40969E-01 2.69137E-01 diff --git a/PARAM/tor_opt_iter0_7prot-eps_ext.parm b/PARAM/tor_opt_iter0_7prot-eps_ext.parm new file mode 100644 index 0000000..cd0a229 --- /dev/null +++ b/PARAM/tor_opt_iter0_7prot-eps_ext.parm @@ -0,0 +1,252 @@ +3 *** Optimized torsional parameters 7p_wham_last *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 +6 0 ** Gly-D-Pro-reg + 1 -1.02141E+00 -1.21787E+00 + 2 2.66194E-03 1.01052E-02 + 3 1.41880E-02 -1.29145E-02 + 4 -5.54912E-02 -1.54449E-02 + 5 2.72669E-02 4.68748E-02 + 6 7.92569E-03 -3.12502E-02 +6 0 ** Gly-D-Ala-reg + 1 9.97046E-02 2.66476E-01 + 2 -1.69687E-02 -4.91316E-02 + 3 2.50219E-01 -6.24989E-02 + 4 -1.52445E-01 -1.24202E-01 + 5 -9.21242E-03 -9.52846E-04 + 6 6.34622E-03 -4.58307E-03 + 6 0 ************ G-G + 1 2.91221E-01 0.00000E+00 + 2 1.97221E-01 0.00000E+00 + 3 3.47215E-02 0.00000E+00 + 4 -1.25868E-01 0.00000E+00 + 5 -8.07275E-02 0.00000E+00 + 6 -3.07820E-03 0.00000E+00 + 6 0 ************ G-A + 1 1.37258E-01 -1.87823E-01 + 2 -3.24314E-03 -1.14115E-01 + 3 1.00886E-01 6.20938E-02 + 4 -1.24448E-01 1.61747E-01 + 5 -1.22389E-02 1.29629E-01 + 6 1.18244E-02 -7.32819E-02 +10 0 ************ G-P + 1 -2.35280E-01 4.47825E-01 + 2 2.25332E-01 4.39143E-01 + 3 8.54137E-02 -3.13391E-02 + 4 9.34821E-04 -5.34886E-03 + 5 1.29469E-01 2.38018E-01 + 6 -1.67401E-01 1.36767E-01 + 7 -9.09952E-03 -1.50380E-01 + 8 1.59178E-01 1.58505E-02 + 9 -5.07021E-02 9.02235E-02 + 10 -2.74002E-02 3.70860E-02 +6 0 ** L-Ala-D-Pro-reg + 1 -3.67336E+00 1.98471E+00 + 2 -6.26727E-01 -8.14864E-02 + 3 2.43704E-02 -1.02431E+00 + 4 3.16312E-01 1.87132E-01 + 5 2.66420E-01 1.43927E-01 + 6 -2.65977E-01 5.94169E-02 +6 0 ** L-Ala-D-Ala-reg + 1 -7.75462E-01 4.16758E-01 + 2 2.23510E-02 6.78839E-02 + 3 2.54868E-01 -8.31567E-02 + 4 -7.10523E-02 -1.74577E-01 + 5 3.33282E-02 3.98392E-02 + 6 1.56054E-04 -1.41661E-02 + 6 0 ************ A-G + 1 -2.29844E-01 8.10157E-02 + 2 -7.16965E-02 8.72173E-02 + 3 3.14208E-01 -5.35383E-02 + 4 -2.02452E-01 -6.71549E-02 + 5 6.37359E-02 -3.21902E-02 + 6 1.20409E-02 -4.77091E-02 + 6 0 ************ A-A + 1 4.84934E-01 1.01827E-01 + 2 2.02908E-01 -1.57752E-01 + 3 1.83892E-01 -9.11332E-03 + 4 -5.50573E-02 3.62865E-02 + 5 2.01397E-02 1.58844E-02 + 6 6.37922E-03 2.45381E-03 +10 0 ************ A-P + 1 1.05440E+00 1.99420E+00 + 2 4.15367E-01 2.58231E-01 + 3 4.38811E-01 1.78360E-01 + 4 -6.03233E-02 1.44596E-01 + 5 -1.32748E-01 -8.30658E-02 + 6 7.92515E-02 -1.23210E-01 + 7 1.46959E-01 9.69035E-02 + 8 -8.27696E-02 2.19985E-01 + 9 -2.20971E-01 9.42558E-04 + 10 -2.11828E-02 -3.91532E-02 +6 0 ** L-Pro-D-Pro-reg + 1 -3.40143E+00 -3.68917E+00 + 2 -1.79356E+00 1.27378E+00 + 3 1.52538E+00 1.51128E-01 + 4 -1.16399E-01 -9.80625E-01 + 5 -5.43709E-01 4.32254E-01 + 6 3.39955E-01 1.28204E-01 +6 0 ** L-Pro-D-Ala-reg + 1 -7.91570E-01 1.00745E+00 + 2 2.89816E-03 -1.42421E-01 + 3 2.00092E-01 -1.46860E-01 + 4 4.75906E-02 1.23842E-01 + 5 -2.88990E-02 -2.23460E-02 + 6 8.92327E-03 -2.80002E-02 +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -5.30371E-01 -3.79838E-03 + 2 6.32663E-02 -1.09521E-01 + 3 1.21519E-01 8.43223E-03 + 4 -7.80575E-03 3.76829E-02 + 5 -4.82717E-02 -4.37033E-02 + 6 -1.47599E-02 9.06497E-02 + 7 4.59200E-02 2.27528E-02 + 8 -7.44594E-02 4.24939E-02 + 9 -4.90352E-02 -2.08349E-02 + 10 -8.46346E-02 -1.07298E-02 +10 0 ************ P-P + 1 4.23486E+00 7.87119E-01 + 2 2.59217E+00 -3.33044E-01 + 3 1.24864E+00 -4.98088E-01 + 4 1.16294E-01 -1.79001E-01 + 5 -9.55402E-01 1.83034E-01 + 6 -1.87536E+00 2.47282E-01 + 7 -2.44663E+00 5.47506E-01 + 8 -2.27142E+00 8.14203E-01 + 9 -1.33942E+00 7.88906E-01 + 10 -4.40969E-01 2.69137E-01 +6 0 ** Gly-D-Pro-reg + 1 -1.02141E+00 -1.21787E+00 + 2 2.66194E-03 1.01052E-02 + 3 1.41880E-02 -1.29145E-02 + 4 -5.54912E-02 -1.54449E-02 + 5 2.72669E-02 4.68748E-02 + 6 7.92569E-03 -3.12502E-02 +6 0 ** Gly-D-Ala-reg + 1 9.97046E-02 2.66476E-01 + 2 -1.69687E-02 -4.91316E-02 + 3 2.50219E-01 -6.24989E-02 + 4 -1.52445E-01 -1.24202E-01 + 5 -9.21242E-03 -9.52846E-04 + 6 6.34622E-03 -4.58307E-03 + 6 0 ************ G-G + 1 2.91221E-01 0.00000E+00 + 2 1.97221E-01 0.00000E+00 + 3 3.47215E-02 0.00000E+00 + 4 -1.25868E-01 0.00000E+00 + 5 -8.07275E-02 0.00000E+00 + 6 -3.07820E-03 0.00000E+00 + 6 0 ************ G-A + 1 1.37258E-01 -1.87823E-01 + 2 -3.24314E-03 -1.14115E-01 + 3 1.00886E-01 6.20938E-02 + 4 -1.24448E-01 1.61747E-01 + 5 -1.22389E-02 1.29629E-01 + 6 1.18244E-02 -7.32819E-02 +10 0 ************ G-P + 1 -2.35280E-01 4.47825E-01 + 2 2.25332E-01 4.39143E-01 + 3 8.54137E-02 -3.13391E-02 + 4 9.34821E-04 -5.34886E-03 + 5 1.29469E-01 2.38018E-01 + 6 -1.67401E-01 1.36767E-01 + 7 -9.09952E-03 -1.50380E-01 + 8 1.59178E-01 1.58505E-02 + 9 -5.07021E-02 9.02235E-02 + 10 -2.74002E-02 3.70860E-02 +6 0 ** L-Ala-D-Pro-reg + 1 -3.67336E+00 1.98471E+00 + 2 -6.26727E-01 -8.14864E-02 + 3 2.43704E-02 -1.02431E+00 + 4 3.16312E-01 1.87132E-01 + 5 2.66420E-01 1.43927E-01 + 6 -2.65977E-01 5.94169E-02 +6 0 ** L-Ala-D-Ala-reg + 1 -7.75462E-01 4.16758E-01 + 2 2.23510E-02 6.78839E-02 + 3 2.54868E-01 -8.31567E-02 + 4 -7.10523E-02 -1.74577E-01 + 5 3.33282E-02 3.98392E-02 + 6 1.56054E-04 -1.41661E-02 + 6 0 ************ A-G + 1 -2.29844E-01 8.10157E-02 + 2 -7.16965E-02 8.72173E-02 + 3 3.14208E-01 -5.35383E-02 + 4 -2.02452E-01 -6.71549E-02 + 5 6.37359E-02 -3.21902E-02 + 6 1.20409E-02 -4.77091E-02 + 6 0 ************ A-A + 1 4.84934E-01 1.01827E-01 + 2 2.02908E-01 -1.57752E-01 + 3 1.83892E-01 -9.11332E-03 + 4 -5.50573E-02 3.62865E-02 + 5 2.01397E-02 1.58844E-02 + 6 6.37922E-03 2.45381E-03 +10 0 ************ A-P + 1 1.05440E+00 1.99420E+00 + 2 4.15367E-01 2.58231E-01 + 3 4.38811E-01 1.78360E-01 + 4 -6.03233E-02 1.44596E-01 + 5 -1.32748E-01 -8.30658E-02 + 6 7.92515E-02 -1.23210E-01 + 7 1.46959E-01 9.69035E-02 + 8 -8.27696E-02 2.19985E-01 + 9 -2.20971E-01 9.42558E-04 + 10 -2.11828E-02 -3.91532E-02 +6 0 ** L-Pro-D-Pro-reg + 1 -3.40143E+00 -3.68917E+00 + 2 -1.79356E+00 1.27378E+00 + 3 1.52538E+00 1.51128E-01 + 4 -1.16399E-01 -9.80625E-01 + 5 -5.43709E-01 4.32254E-01 + 6 3.39955E-01 1.28204E-01 +6 0 ** L-Pro-D-Ala-reg + 1 -7.91570E-01 1.00745E+00 + 2 2.89816E-03 -1.42421E-01 + 3 2.00092E-01 -1.46860E-01 + 4 4.75906E-02 1.23842E-01 + 5 -2.88990E-02 -2.23460E-02 + 6 8.92327E-03 -2.80002E-02 +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -5.30371E-01 -3.79838E-03 + 2 6.32663E-02 -1.09521E-01 + 3 1.21519E-01 8.43223E-03 + 4 -7.80575E-03 3.76829E-02 + 5 -4.82717E-02 -4.37033E-02 + 6 -1.47599E-02 9.06497E-02 + 7 4.59200E-02 2.27528E-02 + 8 -7.44594E-02 4.24939E-02 + 9 -4.90352E-02 -2.08349E-02 + 10 -8.46346E-02 -1.07298E-02 +10 0 ************ P-P + 1 4.23486E+00 7.87119E-01 + 2 2.59217E+00 -3.33044E-01 + 3 1.24864E+00 -4.98088E-01 + 4 1.16294E-01 -1.79001E-01 + 5 -9.55402E-01 1.83034E-01 + 6 -1.87536E+00 2.47282E-01 + 7 -2.44663E+00 5.47506E-01 + 8 -2.27142E+00 8.14203E-01 + 9 -1.33942E+00 7.88906E-01 + 10 -4.40969E-01 2.69137E-01 diff --git a/PARAM/tor_opt_iter1_7p_old-ext.parm b/PARAM/tor_opt_iter1_7p_old-ext.parm new file mode 100644 index 0000000..a108e2e --- /dev/null +++ b/PARAM/tor_opt_iter1_7p_old-ext.parm @@ -0,0 +1,180 @@ +3 *** Optimized torsional parameters 7p_wham_last *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 3.89266E-01 0.00000E+00 + 2 4.18662E-01 0.00000E+00 + 3 -4.85875E-03 0.00000E+00 + 4 -2.28912E-01 0.00000E+00 + 5 -1.32435E-01 0.00000E+00 + 6 -3.25567E-02 0.00000E+00 + 6 0 ************ G-A + 1 4.48732E-01 -6.17446E-01 + 2 -7.19420E-02 -2.81509E-01 + 3 8.55553E-02 9.54595E-02 + 4 -1.78171E-01 2.81875E-01 + 5 -3.35660E-02 2.20930E-01 + 6 7.48948E-02 -1.48385E-01 +10 0 ************ G-P + 1 -1.02764E+00 7.71574E-01 + 2 6.60187E-01 4.73949E-01 + 3 3.06766E-01 6.26077E-02 + 4 1.12028E-01 -2.20307E-03 + 5 1.41205E-01 4.63242E-01 + 6 -2.32839E-01 2.16374E-01 + 7 4.45175E-02 -2.13921E-01 + 8 2.13415E-01 1.05584E-01 + 9 -1.06794E-01 1.83807E-01 + 10 -1.58917E-01 -4.77027E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 -5.35331E-01 3.07619E-01 + 2 -4.40634E-03 2.42563E-01 + 3 4.08626E-01 -1.26381E-01 + 4 -3.75632E-01 -1.24731E-01 + 5 1.54159E-01 -4.34413E-02 + 6 -5.10726E-03 -8.98940E-02 + 6 0 ************ A-A + 1 7.57412E-01 2.41619E-01 + 2 3.16517E-01 -4.83719E-01 + 3 2.94869E-01 -3.00853E-02 + 4 -1.18430E-01 6.30789E-02 + 5 1.39669E-02 6.86930E-02 + 6 5.15960E-03 2.89140E-02 +10 0 ************ A-P + 1 1.24599E+00 3.28913E+00 + 2 3.71946E-01 6.21240E-01 + 3 1.72894E-01 5.10551E-01 + 4 -4.30010E-01 1.34074E-01 + 5 -1.04165E-01 -1.24492E-01 + 6 1.84767E-01 1.76351E-01 + 7 9.14037E-02 1.45966E-01 + 8 2.88613E-01 2.65632E-01 + 9 -5.37851E-02 5.01514E-01 + 10 -2.33602E-01 1.43541E-01 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -1.44568E+00 4.48810E-01 + 2 2.44809E-01 -9.84525E-02 + 3 7.10743E-02 -7.82747E-02 + 4 6.10521E-02 1.26535E-01 + 5 -1.06073E-01 -5.66209E-02 + 6 -2.54567E-02 1.39995E-01 + 7 8.12043E-02 4.96622E-02 + 8 -1.02693E-01 2.65604E-02 + 9 -4.64168E-02 -6.09468E-02 + 10 -1.28754E-01 -4.35563E-02 +10 0 ************ P-P + 1 4.99994E+00 1.02894E+00 + 2 3.01919E+00 -1.08282E+00 + 3 1.44640E+00 -1.36232E+00 + 4 1.53375E-01 -8.06450E-01 + 5 -1.13926E+00 -2.92452E-01 + 6 -2.18888E+00 -1.79960E-01 + 7 -2.71687E+00 2.89616E-01 + 8 -2.52591E+00 9.09040E-01 + 9 -1.45928E+00 1.12958E+00 + 10 -4.89916E-01 3.69826E-01 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 3.89266E-01 0.00000E+00 + 2 4.18662E-01 0.00000E+00 + 3 -4.85875E-03 0.00000E+00 + 4 -2.28912E-01 0.00000E+00 + 5 -1.32435E-01 0.00000E+00 + 6 -3.25567E-02 0.00000E+00 + 6 0 ************ G-A + 1 4.48732E-01 -6.17446E-01 + 2 -7.19420E-02 -2.81509E-01 + 3 8.55553E-02 9.54595E-02 + 4 -1.78171E-01 2.81875E-01 + 5 -3.35660E-02 2.20930E-01 + 6 7.48948E-02 -1.48385E-01 +10 0 ************ G-P + 1 -1.02764E+00 7.71574E-01 + 2 6.60187E-01 4.73949E-01 + 3 3.06766E-01 6.26077E-02 + 4 1.12028E-01 -2.20307E-03 + 5 1.41205E-01 4.63242E-01 + 6 -2.32839E-01 2.16374E-01 + 7 4.45175E-02 -2.13921E-01 + 8 2.13415E-01 1.05584E-01 + 9 -1.06794E-01 1.83807E-01 + 10 -1.58917E-01 -4.77027E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 -5.35331E-01 3.07619E-01 + 2 -4.40634E-03 2.42563E-01 + 3 4.08626E-01 -1.26381E-01 + 4 -3.75632E-01 -1.24731E-01 + 5 1.54159E-01 -4.34413E-02 + 6 -5.10726E-03 -8.98940E-02 + 6 0 ************ A-A + 1 7.57412E-01 2.41619E-01 + 2 3.16517E-01 -4.83719E-01 + 3 2.94869E-01 -3.00853E-02 + 4 -1.18430E-01 6.30789E-02 + 5 1.39669E-02 6.86930E-02 + 6 5.15960E-03 2.89140E-02 +10 0 ************ A-P + 1 1.24599E+00 3.28913E+00 + 2 3.71946E-01 6.21240E-01 + 3 1.72894E-01 5.10551E-01 + 4 -4.30010E-01 1.34074E-01 + 5 -1.04165E-01 -1.24492E-01 + 6 1.84767E-01 1.76351E-01 + 7 9.14037E-02 1.45966E-01 + 8 2.88613E-01 2.65632E-01 + 9 -5.37851E-02 5.01514E-01 + 10 -2.33602E-01 1.43541E-01 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -1.44568E+00 4.48810E-01 + 2 2.44809E-01 -9.84525E-02 + 3 7.10743E-02 -7.82747E-02 + 4 6.10521E-02 1.26535E-01 + 5 -1.06073E-01 -5.66209E-02 + 6 -2.54567E-02 1.39995E-01 + 7 8.12043E-02 4.96622E-02 + 8 -1.02693E-01 2.65604E-02 + 9 -4.64168E-02 -6.09468E-02 + 10 -1.28754E-01 -4.35563E-02 +10 0 ************ P-P + 1 4.99994E+00 1.02894E+00 + 2 3.01919E+00 -1.08282E+00 + 3 1.44640E+00 -1.36232E+00 + 4 1.53375E-01 -8.06450E-01 + 5 -1.13926E+00 -2.92452E-01 + 6 -2.18888E+00 -1.79960E-01 + 7 -2.71687E+00 2.89616E-01 + 8 -2.52591E+00 9.09040E-01 + 9 -1.45928E+00 1.12958E+00 + 10 -4.89916E-01 3.69826E-01 diff --git a/PARAM/tor_opt_iter1_7p_old.parm b/PARAM/tor_opt_iter1_7p_old.parm new file mode 100644 index 0000000..a6d781e --- /dev/null +++ b/PARAM/tor_opt_iter1_7p_old.parm @@ -0,0 +1,85 @@ +3 *** Optimized torsional parameters 7p_wham_last *** + 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 + 6 0 ************ G-G + 1 3.89266E-01 0.00000E+00 + 2 4.18662E-01 0.00000E+00 + 3 -4.85875E-03 0.00000E+00 + 4 -2.28912E-01 0.00000E+00 + 5 -1.32435E-01 0.00000E+00 + 6 -3.25567E-02 0.00000E+00 + 6 0 ************ G-A + 1 4.48732E-01 -6.17446E-01 + 2 -7.19420E-02 -2.81509E-01 + 3 8.55553E-02 9.54595E-02 + 4 -1.78171E-01 2.81875E-01 + 5 -3.35660E-02 2.20930E-01 + 6 7.48948E-02 -1.48385E-01 +10 0 ************ G-P + 1 -1.02764E+00 7.71574E-01 + 2 6.60187E-01 4.73949E-01 + 3 3.06766E-01 6.26077E-02 + 4 1.12028E-01 -2.20307E-03 + 5 1.41205E-01 4.63242E-01 + 6 -2.32839E-01 2.16374E-01 + 7 4.45175E-02 -2.13921E-01 + 8 2.13415E-01 1.05584E-01 + 9 -1.06794E-01 1.83807E-01 + 10 -1.58917E-01 -4.77027E-02 + 6 0 ************ A-G + 1 -5.35331E-01 3.07619E-01 + 2 -4.40634E-03 2.42563E-01 + 3 4.08626E-01 -1.26381E-01 + 4 -3.75632E-01 -1.24731E-01 + 5 1.54159E-01 -4.34413E-02 + 6 -5.10726E-03 -8.98940E-02 + 6 0 ************ A-A + 1 7.57412E-01 2.41619E-01 + 2 3.16517E-01 -4.83719E-01 + 3 2.94869E-01 -3.00853E-02 + 4 -1.18430E-01 6.30789E-02 + 5 1.39669E-02 6.86930E-02 + 6 5.15960E-03 2.89140E-02 +10 0 ************ A-P + 1 1.24599E+00 3.28913E+00 + 2 3.71946E-01 6.21240E-01 + 3 1.72894E-01 5.10551E-01 + 4 -4.30010E-01 1.34074E-01 + 5 -1.04165E-01 -1.24492E-01 + 6 1.84767E-01 1.76351E-01 + 7 9.14037E-02 1.45966E-01 + 8 2.88613E-01 2.65632E-01 + 9 -5.37851E-02 5.01514E-01 + 10 -2.33602E-01 1.43541E-01 +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 10 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 -1.44568E+00 4.48810E-01 + 2 2.44809E-01 -9.84525E-02 + 3 7.10743E-02 -7.82747E-02 + 4 6.10521E-02 1.26535E-01 + 5 -1.06073E-01 -5.66209E-02 + 6 -2.54567E-02 1.39995E-01 + 7 8.12043E-02 4.96622E-02 + 8 -1.02693E-01 2.65604E-02 + 9 -4.64168E-02 -6.09468E-02 + 10 -1.28754E-01 -4.35563E-02 +10 0 ************ P-P + 1 4.99994E+00 1.02894E+00 + 2 3.01919E+00 -1.08282E+00 + 3 1.44640E+00 -1.36232E+00 + 4 1.53375E-01 -8.06450E-01 + 5 -1.13926E+00 -2.92452E-01 + 6 -2.18888E+00 -1.79960E-01 + 7 -2.71687E+00 2.89616E-01 + 8 -2.52591E+00 9.09040E-01 + 9 -1.45928E+00 1.12958E+00 + 10 -4.89916E-01 3.69826E-01 diff --git a/PARAM/torsion_631Gdp_old.parm b/PARAM/torsion_631Gdp_old.parm new file mode 100644 index 0000000..faa8083 --- /dev/null +++ b/PARAM/torsion_631Gdp_old.parm @@ -0,0 +1,180 @@ +3 *** Parameters derived by integrating MP2/6-31G** local energy surfaces *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 4.03053E-03 0.0 + 2 -4.90330E-03 0.0 + 3 2.70952E-01 0.0 + 4 -7.20927E-02 0.0 + 5 -3.66258E-03 0.0 + 6 -6.34294E-03 0.0 + 6 0 ************ G-A + 1 1.27465E-02 -1.01763E-01 + 2 -8.41985E-03 1.18716E-02 + 3 2.50582E-01 3.30235E-02 + 4 -1.02631E-01 1.46337E-01 + 5 6.63161E-03 8.86275E-03 + 6 -6.81049E-03 8.71641E-03 +10 0 ************ G-P + 1 -1.14953E+00 1.29720E+00 + 2 -1.08859E-03 -1.20321E-02 + 3 4.04229E-01 2.92750E-01 + 4 -2.41994E-01 5.38295E-02 + 5 4.31804E-02 -6.56306E-02 + 6 4.29080E-02 1.38685E-01 + 7 -6.31286E-02 -2.65338E-02 + 8 1.46743E-02 -3.26658E-03 + 9 -1.33460E-02 3.01470E-02 + 0 -1.11258E-02 -3.15723E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 5.14830E-03 9.48478E-02 + 2 -8.85552E-02 1.20661E-01 + 3 2.65903E-01 -8.99192E-02 + 4 -6.16552E-02 -6.07952E-02 + 5 2.19209E-02 -3.09487E-02 + 6 -1.58136E-02 -1.74252E-02 + 6 0 ************ A-A + 1 1.05084E+00 -1.83406E-03 + 2 2.56198E-01 3.75825E-02 + 3 2.97224E-01 -6.65886E-03 + 4 -9.30144E-02 2.78499E-02 + 5 2.69127E-02 -2.79813E-03 + 6 -5.69348E-03 -5.76679E-03 +10 0 ************ A-P + 1 1.97348E+00 3.61809E+00 + 2 3.25172E-01 6.93324E-01 + 3 7.44811E-01 2.28853E-01 + 4 -1.11515E-02 4.21766E-01 + 5 -1.09160E-01 4.09945E-02 + 6 1.08618E-01 6.71048E-03 + 7 1.21785E-02 9.37813E-02 + 8 -2.77282E-02 2.84981E-02 + 9 2.15879E-02 1.85528E-02 + 0 -8.56980E-03 3.92482E-02 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 0 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 1.40539E+00 -7.42879E-01 + 2 9.21075E-02 -1.17205E-01 + 3 4.49479E-01 3.82888E-02 + 4 8.11975E-02 -3.35594E-02 + 5 -9.88964E-03 -4.63759E-02 + 6 8.58396E-02 4.22362E-02 + 7 2.73049E-02 -5.43392E-02 + 8 -4.18620E-03 -1.04889E-02 + 9 1.06804E-02 -7.89066E-03 + 0 -5.01879E-03 -1.20569E-02 +10 0 ************ P-P + 1 4.23219E+00 1.42318E+00 + 2 1.24967E+00 -2.32575E-01 + 3 5.38690E-01 -4.25507E-01 + 4 4.01096E-01 -6.42186E-01 + 5 2.52852E-01 -2.32257E-01 + 6 -3.06406E-02 -2.48617E-01 + 7 -1.68086E-02 -1.55069E-01 + 8 -9.68421E-02 -1.80718E-01 + 9 -2.73541E-02 -1.36915E-01 + 0 -6.08829E-02 -6.71426E-02 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 4.03053E-03 0.0 + 2 -4.90330E-03 0.0 + 3 2.70952E-01 0.0 + 4 -7.20927E-02 0.0 + 5 -3.66258E-03 0.0 + 6 -6.34294E-03 0.0 + 6 0 ************ G-A + 1 1.27465E-02 -1.01763E-01 + 2 -8.41985E-03 1.18716E-02 + 3 2.50582E-01 3.30235E-02 + 4 -1.02631E-01 1.46337E-01 + 5 6.63161E-03 8.86275E-03 + 6 -6.81049E-03 8.71641E-03 +10 0 ************ G-P + 1 -1.14953E+00 1.29720E+00 + 2 -1.08859E-03 -1.20321E-02 + 3 4.04229E-01 2.92750E-01 + 4 -2.41994E-01 5.38295E-02 + 5 4.31804E-02 -6.56306E-02 + 6 4.29080E-02 1.38685E-01 + 7 -6.31286E-02 -2.65338E-02 + 8 1.46743E-02 -3.26658E-03 + 9 -1.33460E-02 3.01470E-02 + 0 -1.11258E-02 -3.15723E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 5.14830E-03 9.48478E-02 + 2 -8.85552E-02 1.20661E-01 + 3 2.65903E-01 -8.99192E-02 + 4 -6.16552E-02 -6.07952E-02 + 5 2.19209E-02 -3.09487E-02 + 6 -1.58136E-02 -1.74252E-02 + 6 0 ************ A-A + 1 1.05084E+00 -1.83406E-03 + 2 2.56198E-01 3.75825E-02 + 3 2.97224E-01 -6.65886E-03 + 4 -9.30144E-02 2.78499E-02 + 5 2.69127E-02 -2.79813E-03 + 6 -5.69348E-03 -5.76679E-03 +10 0 ************ A-P + 1 1.97348E+00 3.61809E+00 + 2 3.25172E-01 6.93324E-01 + 3 7.44811E-01 2.28853E-01 + 4 -1.11515E-02 4.21766E-01 + 5 -1.09160E-01 4.09945E-02 + 6 1.08618E-01 6.71048E-03 + 7 1.21785E-02 9.37813E-02 + 8 -2.77282E-02 2.84981E-02 + 9 2.15879E-02 1.85528E-02 + 0 -8.56980E-03 3.92482E-02 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 0 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 1.40539E+00 -7.42879E-01 + 2 9.21075E-02 -1.17205E-01 + 3 4.49479E-01 3.82888E-02 + 4 8.11975E-02 -3.35594E-02 + 5 -9.88964E-03 -4.63759E-02 + 6 8.58396E-02 4.22362E-02 + 7 2.73049E-02 -5.43392E-02 + 8 -4.18620E-03 -1.04889E-02 + 9 1.06804E-02 -7.89066E-03 + 0 -5.01879E-03 -1.20569E-02 +10 0 ************ P-P + 1 4.23219E+00 1.42318E+00 + 2 1.24967E+00 -2.32575E-01 + 3 5.38690E-01 -4.25507E-01 + 4 4.01096E-01 -6.42186E-01 + 5 2.52852E-01 -2.32257E-01 + 6 -3.06406E-02 -2.48617E-01 + 7 -1.68086E-02 -1.55069E-01 + 8 -9.68421E-02 -1.80718E-01 + 9 -2.73541E-02 -1.36915E-01 + 0 -6.08829E-02 -6.71426E-02 diff --git a/PARAM/torsion_631Gdp_old_ext.parm b/PARAM/torsion_631Gdp_old_ext.parm new file mode 100644 index 0000000..09d5df7 --- /dev/null +++ b/PARAM/torsion_631Gdp_old_ext.parm @@ -0,0 +1,180 @@ +3 *** Parameters derived by integrating MP2/6-31G** local energy surfaces *** +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 4.03053E-03 0.0 + 2 -4.90330E-03 0.0 + 3 2.70952E-01 0.0 + 4 -7.20927E-02 0.0 + 5 -3.66258E-03 0.0 + 6 -6.34294E-03 0.0 + 6 0 ************ G-A + 1 1.27465E-02 -1.01763E-01 + 2 -8.41985E-03 1.18716E-02 + 3 2.50582E-01 3.30235E-02 + 4 -1.02631E-01 1.46337E-01 + 5 6.63161E-03 8.86275E-03 + 6 -6.81049E-03 8.71641E-03 +10 0 ************ G-P + 1 -1.14953E+00 1.29720E+00 + 2 -1.08859E-03 -1.20321E-02 + 3 4.04229E-01 2.92750E-01 + 4 -2.41994E-01 5.38295E-02 + 5 4.31804E-02 -6.56306E-02 + 6 4.29080E-02 1.38685E-01 + 7 -6.31286E-02 -2.65338E-02 + 8 1.46743E-02 -3.26658E-03 + 9 -1.33460E-02 3.01470E-02 + 0 -1.11258E-02 -3.15723E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 5.14830E-03 9.48478E-02 + 2 -8.85552E-02 1.20661E-01 + 3 2.65903E-01 -8.99192E-02 + 4 -6.16552E-02 -6.07952E-02 + 5 2.19209E-02 -3.09487E-02 + 6 -1.58136E-02 -1.74252E-02 + 6 0 ************ A-A + 1 1.05084E+00 -1.83406E-03 + 2 2.56198E-01 3.75825E-02 + 3 2.97224E-01 -6.65886E-03 + 4 -9.30144E-02 2.78499E-02 + 5 2.69127E-02 -2.79813E-03 + 6 -5.69348E-03 -5.76679E-03 +10 0 ************ A-P + 1 1.97348E+00 3.61809E+00 + 2 3.25172E-01 6.93324E-01 + 3 7.44811E-01 2.28853E-01 + 4 -1.11515E-02 4.21766E-01 + 5 -1.09160E-01 4.09945E-02 + 6 1.08618E-01 6.71048E-03 + 7 1.21785E-02 9.37813E-02 + 8 -2.77282E-02 2.84981E-02 + 9 2.15879E-02 1.85528E-02 + 0 -8.56980E-03 3.92482E-02 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 0 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 1.40539E+00 -7.42879E-01 + 2 9.21075E-02 -1.17205E-01 + 3 4.49479E-01 3.82888E-02 + 4 8.11975E-02 -3.35594E-02 + 5 -9.88964E-03 -4.63759E-02 + 6 8.58396E-02 4.22362E-02 + 7 2.73049E-02 -5.43392E-02 + 8 -4.18620E-03 -1.04889E-02 + 9 1.06804E-02 -7.89066E-03 + 0 -5.01879E-03 -1.20569E-02 +10 0 ************ P-P + 1 4.23219E+00 1.42318E+00 + 2 1.24967E+00 -2.32575E-01 + 3 5.38690E-01 -4.25507E-01 + 4 4.01096E-01 -6.42186E-01 + 5 2.52852E-01 -2.32257E-01 + 6 -3.06406E-02 -2.48617E-01 + 7 -1.68086E-02 -1.55069E-01 + 8 -9.68421E-02 -1.80718E-01 + 9 -2.73541E-02 -1.36915E-01 + 0 -6.08829E-02 -6.71426E-02 + 0 0 ** Gly-D-Pro-reg + 0 0 ** Gly-D-Ala-reg + 6 0 ************ G-G + 1 4.03053E-03 0.0 + 2 -4.90330E-03 0.0 + 3 2.70952E-01 0.0 + 4 -7.20927E-02 0.0 + 5 -3.66258E-03 0.0 + 6 -6.34294E-03 0.0 + 6 0 ************ G-A + 1 1.27465E-02 -1.01763E-01 + 2 -8.41985E-03 1.18716E-02 + 3 2.50582E-01 3.30235E-02 + 4 -1.02631E-01 1.46337E-01 + 5 6.63161E-03 8.86275E-03 + 6 -6.81049E-03 8.71641E-03 +10 0 ************ G-P + 1 -1.14953E+00 1.29720E+00 + 2 -1.08859E-03 -1.20321E-02 + 3 4.04229E-01 2.92750E-01 + 4 -2.41994E-01 5.38295E-02 + 5 4.31804E-02 -6.56306E-02 + 6 4.29080E-02 1.38685E-01 + 7 -6.31286E-02 -2.65338E-02 + 8 1.46743E-02 -3.26658E-03 + 9 -1.33460E-02 3.01470E-02 + 0 -1.11258E-02 -3.15723E-02 + 0 0 ****** Ala-D-Pro + 0 0 ****** Ala-D-Ala + 6 0 ************ A-G + 1 5.14830E-03 9.48478E-02 + 2 -8.85552E-02 1.20661E-01 + 3 2.65903E-01 -8.99192E-02 + 4 -6.16552E-02 -6.07952E-02 + 5 2.19209E-02 -3.09487E-02 + 6 -1.58136E-02 -1.74252E-02 + 6 0 ************ A-A + 1 1.05084E+00 -1.83406E-03 + 2 2.56198E-01 3.75825E-02 + 3 2.97224E-01 -6.65886E-03 + 4 -9.30144E-02 2.78499E-02 + 5 2.69127E-02 -2.79813E-03 + 6 -5.69348E-03 -5.76679E-03 +10 0 ************ A-P + 1 1.97348E+00 3.61809E+00 + 2 3.25172E-01 6.93324E-01 + 3 7.44811E-01 2.28853E-01 + 4 -1.11515E-02 4.21766E-01 + 5 -1.09160E-01 4.09945E-02 + 6 1.08618E-01 6.71048E-03 + 7 1.21785E-02 9.37813E-02 + 8 -2.77282E-02 2.84981E-02 + 9 2.15879E-02 1.85528E-02 + 0 -8.56980E-03 3.92482E-02 + 0 0 ** Pro-D-Por + 0 0 ** Pro-D-Ala +10 0 ************ P-G + 1 2.12359E-02 4.05506E-02 + 2 -1.19424E-01 2.91087E-01 + 3 3.81770E-01 -1.11839E-01 + 4 -9.75339E-02 -7.60089E-02 + 5 -5.00214E-02 3.42037E-02 + 6 8.12296E-02 3.98713E-02 + 7 -1.21613E-02 -4.57682E-02 + 8 6.95870E-03 2.28245E-02 + 9 2.02598E-02 -2.00100E-02 + 0 -1.48685E-02 -1.09627E-02 +10 0 ************ P-A + 1 1.40539E+00 -7.42879E-01 + 2 9.21075E-02 -1.17205E-01 + 3 4.49479E-01 3.82888E-02 + 4 8.11975E-02 -3.35594E-02 + 5 -9.88964E-03 -4.63759E-02 + 6 8.58396E-02 4.22362E-02 + 7 2.73049E-02 -5.43392E-02 + 8 -4.18620E-03 -1.04889E-02 + 9 1.06804E-02 -7.89066E-03 + 0 -5.01879E-03 -1.20569E-02 +10 0 ************ P-P + 1 4.23219E+00 1.42318E+00 + 2 1.24967E+00 -2.32575E-01 + 3 5.38690E-01 -4.25507E-01 + 4 4.01096E-01 -6.42186E-01 + 5 2.52852E-01 -2.32257E-01 + 6 -3.06406E-02 -2.48617E-01 + 7 -1.68086E-02 -1.55069E-01 + 8 -9.68421E-02 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WELEC=0.84476 WBOND=1.00000 WANG=0.62954 & +WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 & +WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.250 CUTOFF=7.00000 WCORR4=0.00000 diff --git a/PARAM/weights_opt_iter0_7p_old-ext.parm b/PARAM/weights_opt_iter0_7p_old-ext.parm new file mode 100644 index 0000000..f2f2e07 --- /dev/null +++ b/PARAM/weights_opt_iter0_7p_old-ext.parm @@ -0,0 +1,5 @@ +WSC=0.83811 WSCP=1.03892 WELEC=0.82649 WBOND=1.00000 WANG=0.49356 & +WSCLOC=0.08617 WTOR=1.45070 WTORD=0.73040 WCORRH=0.00000 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.41110 WTURN3=1.71795 WTURN4=0.51961 WTURN6=0.00000 & +WSCCOR=0.17069 WVDWPP=0.18517 WSTRAIN=0.00100 WSCP14=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 diff --git a/PARAM/weights_opt_iter1_7p_old-ext.parm b/PARAM/weights_opt_iter1_7p_old-ext.parm new file mode 100644 index 0000000..cbbcd17 --- /dev/null +++ b/PARAM/weights_opt_iter1_7p_old-ext.parm @@ -0,0 +1,5 @@ +WSC=0.82686 WSCP=0.96947 WELEC=0.79373 WBOND=1.00000 WANG=0.46542 & +WSCLOC=0.07969 WTOR=0.81684 WTORD=0.67806 WCORRH=0.00000 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.71100 WTURN3=2.30298 WTURN4=0.86517 WTURN6=0.00000 & +WSCCOR=0.14577 WVDWPP=0.17781 WHPB=1.00000 WSCP14=0.00000 & +CUTOFF=7.00000 WCORR4=0.00000 -- 1.7.9.5