1 GLU 1 999.9900 -2.1111 999.9900 -1.0323 .6899 -.8179 .6750 .5077 .5838 -.2542 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6636 .3152 .4603 -.4350 3 GLU 3 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6823 .5230 .5894 -.8674 4 VAL 4 -1.1433 999.9900 .2799 999.9900 .7810 -.0275 .6496 .1168 .3388 .1368 5 HIS 5 -3.0884 1.2903 999.9900 999.9900 .6686 -.3765 .6766 .3266 .4724 -.0252 6 ASN 6 -2.0408 -.2615 999.9900 999.9900 .7518 -.5168 .6766 .3795 .5033 -.0989 7 GLN 7 -2.2003 -1.2219 999.9900 1.3059 .5113 -.4013 .6719 .5226 .5848 -.0684 8 LEU 8 -.0766 -2.7185 999.9900 999.9900 .9565 -.6129 .6821 .1595 .3772 -.1994 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6716 .5113 .5781 -.4085 10 ILE 10 .1962 .2838 999.9900 999.9900 .6034 .3611 .6565 .0408 .2973 .3561 11 LYS 11 -.1715 -2.9005 999.9900 -.4035 .7460 -.6266 .6812 .1678 .3817 -.3263 12 PHE 12 .0900 .5863 999.9900 999.9900 .7573 .4779 .6776 .1039 .3429 .4430 13 ARG 13 -.5160 -1.3337 999.9900 .1593 .8581 -.1346 .6814 .5219 .5884 .0758 14 LEU 14 -1.2495 -2.4128 999.9900 999.9900 .9565 -.9020 .6731 .1590 .3732 -.3747 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6566 -.2506 .1274 .0906 16 ASP 16 .0771 -2.3194 999.9900 999.9900 .8104 -.4773 .6752 .3771 .5013 -.0759 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5868 .4664 .5199 .7182 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6767 .5336 .5932 .2830 19 ASP 19 -.9509 -2.4630 999.9900 999.9900 .8104 -.8678 .6808 .3962 .5148 -.3053 20 ILE 20 .0813 .8778 999.9900 999.9900 .6034 .5209 .6549 .0329 .2921 .4501 21 GLY 21 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .3496 .4861 .4254 -.1048 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5367 -.3653 .0105 .2489 23 LYS 23 -.2799 -1.9682 999.9900 -.4035 .7460 -.4618 .6719 .1507 .3679 -.2124 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6718 .3336 .4745 .2308 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4818 .1037 .2612 .1844 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5554 -.3745 .0130 .2626 27 ASP 27 .2994 -.1036 999.9900 999.9900 .8104 .3354 .6797 .3930 .5125 .4158 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6672 .3285 .4696 .2932 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6556 -.2641 .1191 -.0531 30 THR 30 -.6474 999.9900 .2916 999.9900 .4476 .0306 .6658 -.2581 .1269 .0999 31 VAL 31 -1.6906 999.9900 .8662 999.9900 .7810 -.0145 .6566 .1359 .3529 .1498 32 SER 32 1.0911 999.9900 -.0289 999.9900 .6705 .5776 .6696 .5268 .5863 .5858 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6747 .3255 .4710 .5274 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6797 .1737 .3846 -.1375 35 LYS 35 .6780 -.8530 999.9900 -.4035 .7460 -.0472 .6831 .1633 .3799 .0872 36 GLU 36 1.0761 -1.5476 999.9900 -1.0323 .6899 -.2035 .6781 .5273 .5901 .0652 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6532 -.2376 .1336 .1654 38 VAL 38 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6647 .1234 .3490 .2113 39 ILE 39 1.0115 -1.1393 999.9900 999.9900 .6034 .1585 .6548 .0379 .2949 .2336 40 SER 40 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6744 .5237 .5865 .4679 41 GLU 41 -.9196 -1.2470 999.9900 .3501 .6899 -.2816 .6714 .5132 .5791 .0097 42 TRP 42 -.3273 .0906 999.9900 999.9900 .9378 .2337 .4845 .1912 .3134 .2754 43 PRO 43 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5466 -.3460 .0259 .1656 44 ARG 44 .2784 -.5468 999.9900 .1593 .8581 .1817 .6739 .5157 .5816 .2997 45 GLU 45 -.1289 -2.1111 999.9900 1.7325 .6899 .0456 .6753 .5226 .5862 .2301 46 LYS 46 -3.5196 -1.8181 999.9900 -.0770 .7460 -.9491 .6778 .1504 .3702 -.5596 47 GLU 47 -2.2616 -.7009 999.9900 1.1588 .6899 -.2785 .6804 .5223 .5882 .0148 48 ASN 48 -1.1452 -.8278 999.9900 999.9900 .7518 -.4071 .6773 .3837 .5060 -.0320 49 GLY 49 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .3590 .4731 .4224 .3186 50 PRO 50 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5399 -.3655 .0117 .2609 51 LYS 51 -2.7709 .3782 999.9900 .3546 .7460 -.1875 .6741 .1589 .3736 -.0149 52 THR 52 -.1684 999.9900 .0483 999.9900 .4476 .1091 .6630 -.2567 .1265 .1468 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6583 .1152 .3415 .1334 54 LYS 54 -.4018 -.1469 999.9900 -.4035 .7460 -.1220 .6798 .1481 .3696 .0312 55 GLU 55 -2.5676 1.2230 999.9900 .3501 .6899 -.0761 .6710 .5164 .5808 .1471 56 VAL 56 -.0346 999.9900 .8662 999.9900 .7810 .5375 .6620 .1151 .3430 .4779 57 LYS 57 -.2512 -1.9682 999.9900 -.4035 .7460 -.4561 .6733 .1513 .3688 -.2080 58 LEU 58 .1006 -2.5464 999.9900 999.9900 .9565 -.4964 .6792 .1662 .3799 -.1288 59 ILE 59 -.6113 .5468 999.9900 999.9900 .6034 .1796 .6607 .0418 .2997 .2483 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6711 .5261 .5865 -.0022 61 ALA 61 -2.2766 999.9900 999.9900 999.9900 .7458 -.7654 .6668 .3155 .4618 -.1371 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5807 .4736 .5212 .4930 63 LYS 63 -.3099 -1.4228 999.9900 -.4035 .7460 -.3588 .6799 .1502 .3709 -.1377 64 VAL 64 -.4192 999.9900 .4980 999.9900 .7810 .2866 .6496 .1193 .3403 .3258 65 LEU 65 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .6768 .1614 .3762 -.3542 66 GLU 66 -.3103 -1.5476 999.9900 -1.0323 .6899 -.5501 .6766 .5198 .5851 -.1673 67 ASN 67 .6639 -1.7113 999.9900 999.9900 .7518 -.0985 .6758 .3823 .5046 .1525 68 SER 68 -.3100 999.9900 -.7153 999.9900 .6705 -.1183 .6729 .5353 .5927 .1707 69 LYS 69 -.8956 -.2831 999.9900 .4778 .7460 .1046 .6784 .1589 .3753 .1943 70 THR 70 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6597 -.2619 .1221 -.0901 71 VAL 71 .3707 999.9900 .4980 999.9900 .7810 .5499 .6547 .1317 .3496 .4872 72 LYS 72 .8536 -1.5020 999.9900 -.4035 .7460 -.1419 .6762 .1427 .3650 .0156 73 ASP 73 .8349 -1.3328 999.9900 999.9900 .8104 .1042 .6787 .3828 .5061 .2748 74 TYR 74 -.7788 -3.2286 999.9900 999.9900 .5630 -1.1481 .6803 -.1834 .1765 -.5895 75 ARG 75 -.6502 -2.8571 999.9900 .6901 .8581 -.2538 .6819 .5218 .5885 -.0094 76 SER 76 .2494 999.9900 -.7153 999.9900 .6705 .0682 .4874 .5243 .5089 .2433 77 PRO 77 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5508 -.3873 .0036 .0791 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6605 .1249 .3480 -.7707 79 SER 79 -.5879 999.9900 -.0289 999.9900 .6705 .0179 .6825 .5344 .5961 .2541 80 ASN 80 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6775 .3853 .5070 -.7390 81 LEU 81 -3.0384 -3.3760 999.9900 999.9900 .9565 -1.8193 .6814 .1547 .3742 -.9243 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6639 .3089 .4568 -.4365 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5795 .4646 .5157 -.4135 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6696 .3180 .4645 .3780 85 VAL 85 -.7345 999.9900 -.5532 999.9900 .7810 -.1689 .6551 .1316 .3497 .0560 86 THR 86 .4171 999.9900 -.2947 999.9900 .4476 .1900 .6542 -.2508 .1263 .1947 87 THR 87 .0164 999.9900 .4804 999.9900 .4476 .3148 .6521 -.2615 .1192 .2670 88 MET 88 -.1902 -1.7864 999.9900 .9587 .5203 -.1244 .6785 .5167 .5841 .1163 89 HIS 89 -.4783 -1.1713 999.9900 999.9900 .6686 -.3270 .6776 .3263 .4726 .0046 90 VAL 90 -.0951 999.9900 .5873 999.9900 .7810 .4244 .6610 .1296 .3510 .4128 91 ILE 91 -.2113 -3.0500 999.9900 999.9900 .6034 -.8860 .6546 .0342 .2927 -.3938 92 ILE 92 -.0022 -2.2551 999.9900 999.9900 .6034 -.5513 .6553 .0399 .2963 -.1917 93 GLN 93 -.7947 -1.0287 999.9900 2.7911 .5113 .3698 .6753 .5215 .5856 .4460 94 ALA 94 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .4726 .3249 .3865 .1285 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5561 -.3490 .0281 .0900 96 VAL 96 -.3682 999.9900 -1.0788 999.9900 .7810 -.2220 .6520 .1239 .3440 .0220 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6562 -.2610 .1211 -.8490 98 GLU 98 -3.2255 -1.6501 999.9900 .3501 .6899 -.9589 .6757 .5305 .5910 -.4382 99 LYS 99 -3.5196 -1.9682 999.9900 -.4035 .7460 -1.1098 .6787 .1620 .3773 -.6726 100 GLU 100 -2.3953 -.0968 999.9900 1.1588 .6899 -.1609 .6819 .5239 .5897 .0937 101 LYS 101 999.9900 -2.4344 999.9900 -.4035 999.9900 -1.0805 .6740 -.0456 .2628 -.5226 Means: -.7011 -1.4023 -.3254 .0286 .6979 -.2593 .6480 .2064 .3911 .0042 2.00 analyzed_8