1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6726 .5022 .5797 .0211 2 ALA 2 -1.8133 999.9900 999.9900 999.9900 .7458 -.5337 .6669 .3209 .4651 -.0199 3 ASP 3 -3.3417 -1.7105 999.9900 999.9900 .8104 -1.4139 .6775 .3777 .5026 -.6373 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6552 -.2590 .1219 -.8487 5 GLY 5 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5792 .4617 .5139 -.1572 6 GLU 6 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6770 .5212 .5861 -.7149 7 VAL 7 .0764 999.9900 -.5532 999.9900 .7810 .1014 .6544 .1337 .3506 .2185 8 GLN 8 -1.1984 -1.9601 999.9900 2.7911 .5113 .0360 .6708 .5196 .5826 .2224 9 PHE 9 .1414 -.4306 999.9900 999.9900 .7573 .1560 .6711 .1056 .3412 .2490 10 MET 10 -.1559 -2.0676 999.9900 .9587 .5203 -.1861 .6738 .5117 .5793 .0735 11 LYS 11 -.5771 -1.6955 999.9900 -.4035 .7460 -.4667 .4947 .1556 .2969 -.2405 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5544 -.3656 .0177 .2532 13 PHE 13 -.0803 -3.6820 999.9900 999.9900 .7573 -1.0017 .6724 .0947 .3354 -.4476 14 ILE 14 .0187 -.8802 999.9900 999.9900 .6034 -.0860 .6520 .0416 .2959 .0871 15 SER 15 .8760 999.9900 1.0592 999.9900 .6705 .8686 .6693 .5338 .5903 .7618 16 GLU 16 .4426 -1.9198 999.9900 -1.0323 .6899 -.4549 .6803 .5157 .5843 -.1039 17 LYS 17 -2.0221 -1.3520 999.9900 -.4035 .7460 -.6870 .6736 .1416 .3632 -.3743 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6816 .5215 .5882 .2055 19 SER 19 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6796 .5407 .5986 .3823 20 LYS 20 -3.5196 -.7918 999.9900 -.4035 .7460 -.8745 .6728 .1635 .3757 -.5051 21 SER 21 .0280 999.9900 1.3441 999.9900 .6705 .6809 .6801 .5309 .5931 .6507 22 LEU 22 -.3571 -2.2115 999.9900 999.9900 .9565 -.5374 .6791 .1548 .3733 -.1556 23 GLU 23 -.5863 -1.9198 999.9900 -1.0323 .6899 -.7121 .6770 .5164 .5833 -.2759 24 ILE 24 .0813 .8778 999.9900 999.9900 .6034 .5209 .4774 .0400 .2222 .4160 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5522 -.3692 .0147 .2631 26 LEU 26 .6509 -2.4128 999.9900 999.9900 .9565 -.2685 .6764 .1460 .3670 .0034 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5954 .4693 .5253 .6492 28 PHE 28 -.5116 -3.6820 999.9900 999.9900 .7573 -1.1454 .6774 .0843 .3314 -.5349 29 ASN 29 1.3908 -2.7010 999.9900 999.9900 .7518 -.1861 .6736 .3786 .5015 .0988 30 GLU 30 -.3012 -1.7714 999.9900 .3501 .6899 -.2581 .6737 .5242 .5865 .0276 31 TYR 31 -.3674 -4.1972 999.9900 999.9900 .5630 -1.3339 .6780 -.1640 .1868 -.6975 32 PHE 32 -3.0756 -4.3038 999.9900 999.9900 .7573 -2.2074 .4788 .1102 .2637 -1.2066 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5422 -.3431 .0258 .0880 34 ALA 34 .0470 999.9900 999.9900 999.9900 .7458 .3964 .4993 .3231 .3965 .4038 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5527 -.3724 .0130 .2624 36 PHE 36 -.5560 -1.0405 999.9900 999.9900 .7573 -.2797 .4906 .1118 .2697 -.0474 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5522 -.3728 .0126 .2042 38 ILE 38 -1.9699 -1.3043 999.9900 999.9900 .6034 -.8903 .6504 .0355 .2917 -.3970 39 THR 39 -.0676 999.9900 -.2947 999.9900 .4476 .0284 .6549 -.2553 .1240 .0970 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6599 .1213 .3457 .0185 41 ASP 41 -.9091 .4423 999.9900 999.9900 .8104 .1145 .6671 .3818 .5007 .2785 42 LEU 42 -.4930 -2.9612 999.9900 999.9900 .9565 -.8326 .6794 .1456 .3680 -.3345 43 LEU 43 -1.1256 -2.2115 999.9900 999.9900 .9565 -.7935 .6713 .1603 .3732 -.3098 44 ASP 44 -.8323 -1.5978 999.9900 999.9900 .8104 -.5399 .6810 .3787 .5047 -.1120 45 TYR 45 .0017 -4.1972 999.9900 999.9900 .5630 -1.2108 .6743 -.1847 .1732 -.6286 46 SER 46 -2.4175 999.9900 -.7153 999.9900 .6705 -.8208 .6773 .5309 .5919 -.2508 47 GLY 47 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5781 .4784 .5227 .2826 48 ARG 48 -.3796 -.7463 999.9900 .1593 .8581 .0102 .6786 .5236 .5882 .1790 49 SER 49 -.2734 999.9900 -.7153 999.9900 .6705 -.1061 .6817 .5388 .5983 .1804 50 TRP 50 -.0034 -3.3859 999.9900 999.9900 .9378 -.8172 .6799 .1885 .3933 -.3166 51 THR 51 -.2319 999.9900 .7650 999.9900 .4476 .3269 .6558 -.2518 .1264 .2769 52 VAL 52 .3116 999.9900 -.5532 999.9900 .7810 .1798 .6588 .1298 .3502 .2656 53 ARG 53 -.4063 -2.8571 999.9900 .1593 .8581 -.4173 .6782 .5192 .5854 -.1270 54 MET 54 -.3206 -2.0676 999.9900 .9587 .5203 -.2273 .6725 .5177 .5822 .0468 55 LYS 55 -.3038 -1.5020 999.9900 -.4035 .7460 -.3734 .6795 .1417 .3658 -.1494 56 LYS 56 -.6747 -2.9005 999.9900 -.4035 .7460 -.7272 .6786 .1571 .3744 -.4001 57 ARG 57 -2.0927 -.9796 999.9900 .1593 .8581 -.3791 .6748 .5194 .5842 -.1002 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5714 .4720 .5162 -.1566 59 GLU 59 -1.0162 -2.8418 999.9900 -1.0323 .6899 -1.0501 .6795 .5261 .5900 -.4991 60 LYS 60 -.2345 -1.8181 999.9900 -.4035 .7460 -.4227 .6770 .1659 .3789 -.1815 61 VAL 61 -.3909 999.9900 .8055 999.9900 .7810 .3985 .6564 .1352 .3524 .3974 62 PHE 62 -.3916 .8190 999.9900 999.9900 .7573 .3949 .6774 .0928 .3364 .3910 63 LEU 63 -.1836 -2.5464 999.9900 999.9900 .9565 -.5912 .6800 .1683 .3815 -.1850 64 THR 64 -4.2065 999.9900 .6346 999.9900 .4476 -1.0415 .6548 -.2556 .1237 -.5450 65 VAL 65 -1.2071 999.9900 .5873 999.9900 .7810 .0537 .6600 .1252 .3481 .1893 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .5926 .4748 .5272 -.0469 67 TRP 67 -.0620 -1.9067 999.9900 999.9900 .9378 -.3436 .6705 .1851 .3874 -.0350 68 GLU 68 1.0761 -.0067 999.9900 -1.0323 .6899 .1817 .6833 .5215 .5889 .3220 69 ASN 69 .1294 .8320 999.9900 999.9900 .7518 .5711 .6718 .3721 .4969 .5514 70 PHE 70 .8041 -3.6820 999.9900 999.9900 .7573 -.7069 .6816 .1039 .3446 -.2670 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6508 .1276 .3456 .2928 72 LYS 72 .3654 -.7357 999.9900 .4996 .7460 .2750 .6740 .1457 .3658 .3135 73 ASP 73 1.3227 -3.1847 999.9900 999.9900 .8104 -.3505 .6759 .3836 .5054 .0016 74 ASN 74 .3429 -2.3357 999.9900 999.9900 .7518 -.4137 .6736 .3804 .5026 -.0374 75 ASN 75 -2.1824 .0199 999.9900 999.9900 .7518 -.4702 .6705 .3775 .4996 -.0725 76 LEU 76 -2.2364 -.7764 999.9900 999.9900 .9565 -.6855 .6754 .1511 .3695 -.2460 77 GLU 77 -1.2742 -1.1891 999.9900 -1.0323 .6899 -.7014 .6714 .5181 .5820 -.2694 78 ASP 78 -.9954 -2.0928 999.9900 999.9900 .8104 -.7593 .6763 .3911 .5099 -.2421 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5819 .4687 .5190 -.0263 80 LYS 80 -.5681 -.2562 999.9900 -.4035 .7460 -.1771 .6776 .1573 .3741 -.0072 81 TYR 81 .0868 -1.6488 999.9900 999.9900 .5630 -.3330 .6778 -.1636 .1870 -.0970 82 LEU 82 -.3075 -2.5464 999.9900 999.9900 .9565 -.6325 .6814 .1542 .3739 -.2124 83 GLN 83 -.6030 -1.4944 999.9900 1.3059 .5113 -.0701 .6787 .5229 .5878 .1536 84 PHE 84 -.0803 -.1035 999.9900 999.9900 .7573 .1912 .6736 .0919 .3343 .2678 85 ILE 85 -.0918 -.5821 999.9900 999.9900 .6034 -.0235 .6532 .0469 .2995 .1259 86 TYR 86 .6005 .2884 999.9900 999.9900 .5630 .4839 .6800 -.1726 .1826 .3918 87 ASP 87 -2.8635 -2.8653 999.9900 999.9900 .8104 -1.6395 .6688 .3707 .4950 -.7758 88 ARG 88 -2.9267 -2.3766 999.9900 .7862 .8581 -.5746 .6782 .5197 .5857 -.2393 89 ASP 89 -2.5838 -1.1348 999.9900 999.9900 .8104 -.9694 .6806 .3831 .5070 -.3689 90 ARG 90 -1.7561 -2.8571 999.9900 .5548 .8581 -.5291 .6741 .5101 .5785 -.2088 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6544 -.2635 .1190 .0604 92 PHE 92 .1161 -3.6820 999.9900 999.9900 .7573 -.9362 .6795 .0988 .3408 -.4061 93 TYR 93 .3730 .3463 999.9900 999.9900 .5630 .4274 .6806 -.1682 .1855 .3589 94 VAL 94 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6597 .1360 .3542 -.0335 95 ILE 95 -.6113 -3.0500 999.9900 999.9900 .6034 -1.0193 .6543 .0479 .3006 -.4712 96 ILE 96 .2593 -.0414 999.9900 999.9900 .6034 .2738 .6562 .0287 .2902 .3012 97 TYR 97 -.7539 .8492 999.9900 999.9900 .5630 .2194 .6776 -.1761 .1796 .2319 98 GLY 98 -1.1938 999.9900 999.9900 999.9900 .7883 -.2028 .5766 .4644 .5143 .1589 99 HIS 99 -.1228 -3.1083 999.9900 999.9900 .6686 -.8542 .6764 .3319 .4754 -.3108 100 ASN 100 -.1210 -1.5725 999.9900 999.9900 .7518 -.3139 .6750 .3809 .5035 .0229 101 MET 101 .2242 -1.3058 999.9900 .9587 .5203 .0993 .6753 .5236 .5868 .2660 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6797 .2411 .4291 .3502 Means: -.6449 -1.7272 -.2071 .0276 .7095 -.3502 .6518 .2119 .3960 -.0494 2.00 analyzed_5