1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6750 .5032 .5813 .0218 2 ALA 2 -.9332 999.9900 999.9900 999.9900 .7458 -.0937 .6673 .3210 .4653 .2002 3 ASP 3 -1.1787 -3.1847 999.9900 999.9900 .8104 -1.1843 .6820 .3822 .5071 -.4977 4 THR 4 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6580 -.2641 .1201 -.1401 5 GLY 5 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5848 .4769 .5249 -.2806 6 GLU 6 -1.6894 -.8493 999.9900 -1.0323 .6899 -.7203 .6770 .5102 .5797 -.2823 7 VAL 7 -.0145 999.9900 -.0276 999.9900 .7810 .2463 .6557 .1148 .3402 .3019 8 GLN 8 -.6340 -1.6169 999.9900 1.3059 .5113 -.1084 .6723 .5181 .5824 .1261 9 PHE 9 -.4296 .1483 999.9900 999.9900 .7573 .1587 .6810 .1070 .3462 .2528 10 MET 10 -.9371 -1.3058 999.9900 .9587 .5203 -.1910 .6765 .5237 .5874 .0727 11 LYS 11 -.3223 -.4196 999.9900 -.4035 .7460 -.1606 .4858 .1632 .2976 -.0220 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5495 -.3577 .0203 .2540 13 PHE 13 -.2255 -.1636 999.9900 999.9900 .7573 .1227 .6748 .1004 .3397 .2287 14 ILE 14 -.1796 .8237 999.9900 999.9900 .6034 .4158 .6565 .0524 .3041 .3913 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6773 .5275 .5899 .2597 16 GLU 16 -.6642 -1.1891 999.9900 -1.0323 .6899 -.5489 .6770 .5254 .5886 -.1656 17 LYS 17 -1.7715 -2.9005 999.9900 -.4035 .7460 -.9466 .6727 .1584 .3727 -.5574 18 SER 18 -.1309 999.9900 .8786 999.9900 .6705 .4727 .6783 .5394 .5972 .5272 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6711 .5288 .5881 .3584 20 LYS 20 -2.7709 -.9566 999.9900 -.0397 .7460 -.6122 .6751 .1636 .3767 -.3175 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6816 .5379 .5978 .1572 22 LEU 22 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6732 .1645 .3765 -.3568 23 GLU 23 -.5578 -1.9198 999.9900 .3501 .6899 -.3594 .6724 .5222 .5848 -.0405 24 ILE 24 .2593 -.7120 999.9900 999.9900 .6034 .0502 .4680 .0485 .2233 .1334 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5438 -.3636 .0145 .2624 26 LEU 26 .8475 -2.7185 999.9900 999.9900 .9565 -.3048 .6717 .1562 .3710 -.0173 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .5854 .4757 .5245 .5813 28 PHE 28 -.5116 -.4798 999.9900 999.9900 .7573 -.0780 .6783 .1008 .3414 .1090 29 ASN 29 .6990 -3.3254 999.9900 999.9900 .7518 -.6249 .6792 .3862 .5083 -.1618 30 GLU 30 .0468 -1.7714 999.9900 .3501 .6899 -.1711 .6722 .5182 .5824 .0843 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6783 -.1717 .1825 -.5588 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4796 .1087 .2633 -.5523 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5338 -.3846 -.0019 .2433 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4826 .3145 .3846 .2749 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5435 -.3561 .0187 .2642 36 PHE 36 -1.3242 .0697 999.9900 999.9900 .7573 -.1657 .4938 .1136 .2720 .0221 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5465 -.3825 .0046 .2004 38 ILE 38 -.2490 -1.3043 999.9900 999.9900 .6034 -.3166 .6577 .0301 .2916 -.0524 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6563 -.2497 .1278 -.1195 40 VAL 40 -.0582 999.9900 .5873 999.9900 .7810 .4367 .6578 .1364 .3537 .4209 41 ASP 41 -1.0681 -.5463 999.9900 999.9900 .8104 -.2680 .6762 .3848 .5062 .0514 42 LEU 42 -.1897 .6236 999.9900 999.9900 .9565 .4635 .6783 .1550 .3730 .4447 43 LEU 43 -.3075 -2.4128 999.9900 999.9900 .9565 -.5879 .6767 .1467 .3675 -.1881 44 ASP 44 -1.3478 -1.7105 999.9900 999.9900 .8104 -.7493 .6822 .3785 .5051 -.2374 45 TYR 45 -.3077 -.3337 999.9900 999.9900 .5630 -.0261 .6801 -.1881 .1737 .0827 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6793 .5275 .5908 -.5196 47 GLY 47 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5785 .4720 .5193 .2811 48 ARG 48 -.4155 -1.2607 999.9900 .6901 .8581 .1124 .6818 .5133 .5835 .2510 49 SER 49 -.0741 999.9900 .6576 999.9900 .6705 .4180 .6769 .5253 .5885 .4912 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6792 .1858 .3914 .1917 51 THR 51 .0164 999.9900 -.8810 999.9900 .4476 -.1390 .6647 -.2748 .1166 -.0054 52 VAL 52 -.0145 999.9900 -.0276 999.9900 .7810 .2463 .6507 .1220 .3423 .3024 53 ARG 53 -.5160 -2.0954 999.9900 .1593 .8581 -.2869 .6799 .5243 .5891 -.0329 54 MET 54 -.3503 .0095 999.9900 .9587 .5203 .2845 .6788 .5166 .5842 .3889 55 LYS 55 -.2023 -2.1617 999.9900 .2495 .7460 -.2238 .6739 .1403 .3627 -.0435 56 LYS 56 -.3161 -1.5918 999.9900 -.4035 .7460 -.3938 .6748 .1560 .3722 -.1626 57 ARG 57 -1.7561 -2.3766 999.9900 .1593 .8581 -.5912 .6808 .5175 .5855 -.2511 58 GLY 58 -.5278 999.9900 999.9900 999.9900 .7883 .1302 .5793 .4687 .5179 .3271 59 GLU 59 -1.0162 -1.9198 999.9900 -1.0323 .6899 -.8196 .6702 .5175 .5811 -.3485 60 LYS 60 -.2075 -.0529 999.9900 -.4035 .7460 -.0643 .6791 .1447 .3674 .0718 61 VAL 61 .3116 999.9900 .4980 999.9900 .7810 .5302 .6543 .1129 .3385 .4716 62 PHE 62 -.3916 .3397 999.9900 999.9900 .7573 .2351 .6768 .0986 .3395 .2961 63 LEU 63 -.3855 -2.3037 999.9900 999.9900 .9565 -.5776 .6793 .1575 .3749 -.1792 64 THR 64 -4.2065 999.9900 1.0667 999.9900 .4476 -.8974 .6620 -.2665 .1204 -.4593 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6528 .1170 .3402 -.1470 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5780 .4644 .5149 -.1569 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6785 .1845 .3903 -.4555 68 GLU 68 .8604 -1.1358 999.9900 -1.0323 .6899 -.1545 .6829 .5281 .5926 .0988 69 ASN 69 1.1117 -.4625 999.9900 999.9900 .7518 .4670 .6774 .3854 .5071 .4928 70 PHE 70 .6259 -4.3038 999.9900 999.9900 .7573 -.9735 .6799 .0980 .3404 -.4286 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6588 .1207 .3449 .2930 72 LYS 72 .3654 -2.4344 999.9900 -.4035 .7460 -.4260 .6774 .1487 .3690 -.1863 73 ASP 73 .3915 -2.0928 999.9900 999.9900 .8104 -.2970 .6752 .3839 .5053 .0336 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6734 .3702 .4966 -.0826 75 ASN 75 -3.4329 -.5828 999.9900 999.9900 .7518 -1.0880 .6775 .3885 .5089 -.4396 76 LEU 76 -3.3085 -2.5464 999.9900 999.9900 .9565 -1.6328 .6787 .1514 .3711 -.8137 77 GLU 77 -1.3743 -1.3804 999.9900 .3501 .6899 -.4287 .6746 .5281 .5892 -.0853 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6771 .3721 .4992 -.6784 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5892 .4757 .5261 -.4083 80 LYS 80 -.7762 .8571 999.9900 -.0770 .7460 .1346 .6741 .1564 .3721 .2148 81 TYR 81 .4043 -1.3952 999.9900 999.9900 .5630 -.1427 .6759 -.1688 .1831 .0158 82 LEU 82 -.1655 .5047 999.9900 999.9900 .9565 .4319 .6761 .1575 .3736 .4259 83 GLN 83 -.1966 -1.0871 999.9900 4.2763 .5113 .8760 .6801 .5238 .5889 .7846 84 PHE 84 -.2457 -3.3183 999.9900 999.9900 .7573 -.9355 .6700 .1086 .3425 -.4056 85 ILE 85 .3543 -1.6252 999.9900 999.9900 .6034 -.2225 .6576 .0323 .2928 .0045 86 TYR 86 .0406 -1.2283 999.9900 999.9900 .5630 -.2083 .6763 -.1863 .1731 -.0270 87 ASP 87 -2.2314 .1210 999.9900 999.9900 .8104 -.4333 .6788 .3823 .5058 -.0478 88 ARG 88 -1.7561 -2.3766 999.9900 .6901 .8581 -.3789 .6737 .5146 .5809 -.1009 89 ASP 89 -2.1057 -.8657 999.9900 999.9900 .8104 -.7203 .6699 .3764 .4987 -.2229 90 ARG 90 -1.6758 -1.1946 999.9900 .1593 .8581 -.3387 .6710 .5142 .5795 -.0726 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6638 -.2453 .1335 .0659 92 PHE 92 .1032 .5589 999.9900 999.9900 .7573 .4731 .6812 .0950 .3393 .4391 93 TYR 93 -.0287 .8463 999.9900 999.9900 .5630 .4602 .6772 -.1748 .1802 .3766 94 VAL 94 -.5494 999.9900 -1.0788 999.9900 .7810 -.2824 .6637 .1200 .3465 -.0127 95 ILE 95 -.7007 -.5163 999.9900 999.9900 .6034 -.2045 .6542 .0450 .2988 .0171 96 ILE 96 -.2252 -2.2551 999.9900 999.9900 .6034 -.6256 .6617 .0464 .3028 -.2338 97 TYR 97 -.3989 .5339 999.9900 999.9900 .5630 .2326 .6784 -.1764 .1797 .2400 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5846 .4715 .5217 -.4105 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6729 .3222 .4683 -.9066 100 ASN 100 -3.4329 -.2615 999.9900 999.9900 .7518 -.9809 .6736 .3792 .5019 -.3780 101 MET 101 -2.6662 -2.0676 999.9900 .9587 .5203 -.8137 .6700 .5236 .5846 -.3435 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6830 .2475 .4342 .3534 Means: -.7192 -1.3745 -.3084 .1611 .7095 -.2886 .6518 .2112 .3956 -.0116 2.00 analyzed_19