1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6777 .5021 .5819 .0221 2 THR 2 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6532 -.2680 .1158 .0661 3 GLU 3 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .6810 .5182 .5861 -.7916 4 VAL 4 -.0346 999.9900 -.2457 999.9900 .7810 .1669 .6579 .1149 .3412 .2547 5 TYR 5 .3730 -.9900 999.9900 999.9900 .5630 -.0180 .6815 -.1747 .1821 .0905 6 ASP 6 -.1788 -2.4630 999.9900 999.9900 .8104 -.6105 .6826 .3901 .5120 -.1517 7 LEU 7 -.4738 -2.9612 999.9900 999.9900 .9565 -.8262 .6753 .1514 .3697 -.3304 8 GLU 8 -.4382 -1.3804 999.9900 -1.0323 .6899 -.5403 .6802 .5201 .5868 -.1601 9 ILE 9 -.1408 -1.4255 999.9900 999.9900 .6034 -.3210 .6557 .0431 .2983 -.0528 10 THR 10 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6559 -.2597 .1218 -.0210 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6557 -.2455 .1300 -.1664 12 ASN 12 -.3337 .2165 999.9900 999.9900 .7518 .2115 .6779 .3803 .5043 .3386 13 ALA 13 -.8167 999.9900 999.9900 999.9900 .7458 -.0354 .6640 .3119 .4586 .2263 14 THR 14 .1260 999.9900 -.8810 999.9900 .4476 -.1025 .6582 -.2676 .1182 .0166 15 ASP 15 -1.1212 -1.8420 999.9900 999.9900 .8104 -.7176 .6838 .3833 .5085 -.2172 16 PHE 16 -1.3242 -.7766 999.9900 999.9900 .7573 -.4478 .4948 .1097 .2702 -.1478 17 PRO 17 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5474 -.3806 .0060 .2477 18 MET 18 -.7980 -1.4323 999.9900 .9587 .5203 -.1878 .6727 .5189 .5830 .0734 19 GLU 19 -.3103 -2.8418 999.9900 -1.0323 .6899 -.8736 .6757 .5291 .5902 -.3816 20 LYS 20 -.6340 -1.2293 999.9900 -.4035 .7460 -.3849 .6740 .1440 .3648 -.1580 21 LYS 21 -.2858 -.7918 999.9900 -.0397 .7460 -.0822 .6812 .1583 .3762 .0612 22 TYR 22 .4403 -1.3952 999.9900 999.9900 .5630 -.1306 .4982 -.1948 .0940 -.0177 23 PRO 23 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5500 -.3815 .0066 .2481 24 ALA 24 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6633 .3168 .4612 -.3357 25 GLY 25 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5783 .4631 .5143 -.4142 26 MET 26 -2.2339 -1.5870 999.9900 .9587 .5203 -.5855 .6789 .5146 .5830 -.1914 27 SER 27 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6764 .5255 .5884 .1617 28 LEU 28 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6730 .1618 .3748 -.2170 29 ASN 29 1.1117 -2.7010 999.9900 999.9900 .7518 -.2792 .6808 .3829 .5070 .0453 30 ASP 30 .6354 -1.1954 999.9900 999.9900 .8104 .0834 .6820 .3802 .5059 .2625 31 LEU 31 .8182 -2.5464 999.9900 999.9900 .9565 -.2572 .6752 .1637 .3768 .0135 32 LYS 32 .9451 -.5490 999.9900 -.0397 .7460 .2125 .6801 .1512 .3716 .2706 33 LYS 33 .9451 -1.9682 999.9900 -.4035 .7460 -.2168 .6735 .1533 .3701 -.0368 34 LYS 34 1.2214 -2.1617 999.9900 -.4035 .7460 -.2002 .6780 .1513 .3708 -.0246 35 LEU 35 .6509 -1.2483 999.9900 999.9900 .9565 .1197 .6752 .1636 .3768 .2396 36 GLU 36 .6833 -1.6501 999.9900 -1.0323 .6899 -.3273 .6770 .5192 .5849 -.0189 37 LEU 37 .6509 -1.0230 999.9900 999.9900 .9565 .1948 .6799 .1527 .3724 .2834 38 VAL 38 -.1540 999.9900 .8055 999.9900 .7810 .4775 .6600 .1133 .3411 .4412 39 VAL 39 -1.0844 999.9900 .2799 999.9900 .7810 -.0078 .6606 .1238 .3475 .1522 40 GLY 40 -.1327 999.9900 999.9900 999.9900 .7883 .3278 .5799 .4746 .5214 .4275 41 THR 41 -.7465 999.9900 -.2947 999.9900 .4476 -.1979 .6570 -.2527 .1263 -.0379 42 THR 42 -1.3548 999.9900 -.8810 999.9900 .4476 -.5961 .6491 -.2533 .1227 -.2785 43 VAL 43 -1.0844 999.9900 -.5532 999.9900 .7810 -.2855 .6475 .1261 .3433 -.0166 44 ASP 44 .9921 -3.1847 999.9900 999.9900 .8104 -.4607 .6788 .3753 .5018 -.0656 45 SER 45 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .6771 .5321 .5925 .1278 46 MET 46 -.2520 -2.5481 999.9900 .9587 .5203 -.3303 .6785 .5362 .5955 -.0177 47 ARG 47 -.1624 -1.8960 999.9900 .1593 .8581 -.1763 .6803 .5233 .5887 .0460 48 ILE 48 .2593 .6227 999.9900 999.9900 .6034 .4951 .6596 .0362 .2959 .4362 49 GLN 49 -.1803 -1.6169 999.9900 1.3059 .5113 .0050 .6751 .5198 .5845 .2025 50 LEU 50 -.4786 -2.4128 999.9900 999.9900 .9565 -.6450 .6732 .1640 .3762 -.2195 51 PHE 51 .1161 .6915 999.9900 999.9900 .7573 .5217 .6765 .1024 .3416 .4688 52 ASP 52 -.7471 -1.3328 999.9900 999.9900 .8104 -.4231 .6751 .3856 .5062 -.0418 53 GLY 53 1.0801 999.9900 999.9900 999.9900 .7883 .9342 .5972 .4732 .5283 .7347 54 ASP 54 -3.3417 -1.5978 999.9900 999.9900 .8104 -1.3764 .6795 .3839 .5070 -.6131 55 ASP 55 -3.3417 .0784 999.9900 999.9900 .8104 -.8176 .6790 .3848 .5073 -.2778 56 GLN 56 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .6770 .5214 .5862 -.4677 57 LEU 57 -.2181 -2.9612 999.9900 999.9900 .9565 -.7409 .6848 .1656 .3819 -.2745 58 LYS 58 -.6960 -1.5918 999.9900 -.4035 .7460 -.4698 .6773 .1560 .3732 -.2165 59 GLY 59 .0644 999.9900 999.9900 999.9900 .7883 .4263 .5869 .4667 .5201 .4766 60 GLU 60 -.6163 -.7564 999.9900 -1.0323 .6899 -.4288 .6819 .5200 .5874 -.0855 61 LEU 61 -3.7702 .5280 999.9900 999.9900 .9565 -.7619 .6784 .1507 .3706 -.2913 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6651 -.2537 .1291 -.8457 63 ASP 63 -2.3854 -1.6521 999.9900 999.9900 .8104 -1.0757 .6831 .3813 .5070 -.4325 64 GLY 64 .0827 999.9900 999.9900 999.9900 .7883 .4355 .5807 .4768 .5230 .4821 65 ALA 65 -.5171 999.9900 999.9900 999.9900 .7458 .1144 .6605 .3125 .4575 .3004 66 LYS 66 -1.2991 -1.2879 999.9900 -.4035 .7460 -.5296 .6745 .1483 .3675 -.2607 67 SER 67 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6820 .5225 .5889 .1542 68 LEU 68 -.1625 -.8871 999.9900 999.9900 .9565 -.0311 .6755 .1597 .3746 .1484 69 LYS 69 .6751 -2.1617 999.9900 -.4035 .7460 -.3095 .6805 .1674 .3812 -.1000 70 ASP 70 .6201 -3.1847 999.9900 999.9900 .8104 -.5847 .6735 .3835 .5043 -.1394 71 LEU 71 -.5757 -1.2150 999.9900 999.9900 .9565 -.2781 .6728 .1482 .3668 -.0026 72 GLY 72 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5781 .4675 .5167 .4908 73 VAL 73 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6570 .1281 .3485 -.7707 74 ARG 74 -2.0927 .6306 999.9900 .1593 .8581 -.0571 .6814 .5172 .5856 .1305 75 ASP 75 -.1445 -1.7105 999.9900 999.9900 .8104 -.3482 .6789 .3796 .5043 .0028 76 GLY 76 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5834 .4653 .5178 .6284 77 TYR 77 -.2520 -2.7782 999.9900 999.9900 .5630 -.8224 .6744 -.1862 .1724 -.3958 78 ARG 78 -.1685 -1.3337 999.9900 .1593 .8581 -.0651 .6835 .5266 .5919 .1264 79 ILE 79 -.0918 -.9493 999.9900 999.9900 .6034 -.1459 .6544 .0544 .3044 .0542 80 HIS 80 -.3517 .6357 999.9900 999.9900 .6686 .3175 .6760 .3135 .4646 .3884 81 ALA 81 -.9903 999.9900 999.9900 999.9900 .7458 -.1223 .6640 .3147 .4602 .1835 82 VAL 82 -.4049 999.9900 -.5532 999.9900 .7810 -.0590 .6566 .1199 .3435 .1199 83 ASP 83 -.2452 .3593 999.9900 999.9900 .8104 .3082 .6805 .3823 .5065 .3975 84 VAL 84 -1.2342 999.9900 .3968 999.9900 .7810 -.0188 .6557 .1258 .3466 .1450 85 THR 85 .1579 999.9900 -.8810 999.9900 .4476 -.0918 .6586 -.2493 .1290 .0268 86 GLY 86 -.0783 999.9900 999.9900 999.9900 .7883 .3550 .5754 .4656 .5144 .4378 87 GLY 87 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5781 .4644 .5149 -.0283 88 ASN 88 -.4092 -1.8756 999.9900 999.9900 .7518 -.5110 .6785 .3779 .5031 -.0953 89 GLU 89 -2.8104 -.4402 999.9900 -1.0323 .6899 -.8982 .6784 .5182 .5849 -.3994 90 ASP 90 999.9900 -.4801 999.9900 999.9900 999.9900 -.4801 .6753 .3579 .4939 .1844 Means: -.5993 -1.4606 -.4984 -.1116 .7218 -.2955 .6580 .2313 .4102 -.0084 2.00 analyzed_1