1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6740 .5040 .5813 .0218 2 THR 2 -.1023 999.9900 -.8810 999.9900 .4476 -.1786 .6572 -.2441 .1315 -.0245 3 GLU 3 -.6559 -2.3808 999.9900 -1.0323 .6899 -.8448 .6732 .5287 .5889 -.3629 4 VAL 4 -1.2342 999.9900 -.5532 999.9900 .7810 -.3354 .6540 .1203 .3427 -.0464 5 TYR 5 .2641 -1.4719 999.9900 999.9900 .5630 -.2149 .6772 -.1691 .1835 -.0273 6 ASP 6 -.0277 -.7152 999.9900 999.9900 .8104 .0225 .6778 .3751 .5012 .2241 7 LEU 7 -.7230 -.1732 999.9900 999.9900 .9565 .0201 .6766 .1567 .3733 .1787 8 GLU 8 -.5239 -1.9198 999.9900 .3501 .6899 -.3509 .6793 .5270 .5904 -.0329 9 ILE 9 -.1408 -1.9342 999.9900 999.9900 .6034 -.4905 .6557 .0401 .2966 -.1552 10 THR 10 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6542 -.2528 .1251 -.1205 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6578 -.2559 .1248 -.1681 12 ASN 12 -.8722 -1.2512 999.9900 999.9900 .7518 -.4572 .6756 .3745 .4999 -.0643 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6609 .3105 .4565 .3897 14 THR 14 .1260 999.9900 -.8810 999.9900 .4476 -.1025 .6528 -.2556 .1229 .0180 15 ASP 15 -.6569 -3.7306 999.9900 999.9900 .8104 -1.1924 .6727 .3772 .5003 -.5055 16 PHE 16 -.9433 -3.0602 999.9900 999.9900 .7573 -1.0821 .5133 .0869 .2646 -.5292 17 PRO 17 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5583 -.3593 .0230 .2558 18 MET 18 -.2142 -1.5870 999.9900 .9587 .5203 -.0805 .6771 .5200 .5854 .1458 19 GLU 19 -.6163 -1.6501 999.9900 1.7325 .6899 .0390 .6797 .5288 .5917 .2274 20 LYS 20 -.4160 -.9566 999.9900 -.4035 .7460 -.2867 .6726 .1589 .3729 -.0860 21 LYS 21 -.4232 -.6595 999.9900 -.4035 .7460 -.2287 .6831 .1641 .3803 -.0424 22 TYR 22 .0777 -4.1972 999.9900 999.9900 .5630 -1.1855 .4885 -.1527 .1145 -.6441 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5519 -.3790 .0089 .1586 24 ALA 24 -.9755 999.9900 999.9900 999.9900 .7458 -.1149 .6673 .3271 .4688 .1912 25 GLY 25 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5691 .4640 .5107 .0859 26 MET 26 -1.8017 -1.7864 999.9900 .9587 .5203 -.5273 .6789 .5122 .5817 -.1530 27 SER 27 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6752 .5388 .5956 .1561 28 LEU 28 .4996 -1.3019 999.9900 999.9900 .9565 .0514 .6783 .1599 .3759 .1985 29 ASN 29 1.1117 -.7217 999.9900 999.9900 .7518 .3806 .6723 .3809 .5023 .4390 30 ASP 30 .2633 -2.6388 999.9900 999.9900 .8104 -.5217 .6846 .3859 .5104 -.0989 31 LEU 31 .6296 -3.3760 999.9900 999.9900 .9565 -.5966 .6753 .1657 .3781 -.1898 32 LYS 32 1.2214 -.0529 999.9900 -.0397 .7460 .3670 .6718 .1503 .3676 .3796 33 LYS 33 .9451 -1.8181 999.9900 -.4035 .7460 -.1868 .6713 .1574 .3716 -.0150 34 LYS 34 1.2214 -1.6955 999.9900 -.4035 .7460 -.1070 .6801 .1517 .3719 .0424 35 LEU 35 .6509 -1.2483 999.9900 999.9900 .9565 .1197 .6776 .1514 .3706 .2376 36 GLU 36 .6833 -1.6501 999.9900 -1.0323 .6899 -.3273 .6796 .5209 .5870 -.0181 37 LEU 37 .6509 -1.0000 999.9900 999.9900 .9565 .2025 .6744 .1494 .3682 .2862 38 VAL 38 -.2954 999.9900 1.1539 999.9900 .7810 .5465 .6536 .1242 .3448 .4835 39 VAL 39 -.6856 999.9900 .1416 999.9900 .7810 .0790 .6575 .1177 .3426 .2024 40 GLY 40 .8169 999.9900 999.9900 999.9900 .7883 .8026 .5789 .4693 .5180 .6634 41 THR 41 -.6608 999.9900 1.0667 999.9900 .4476 .2845 .6578 -.2469 .1300 .2529 42 THR 42 -2.0114 999.9900 -.8810 999.9900 .4476 -.8150 .6539 -.2487 .1273 -.4080 43 VAL 43 -1.4030 999.9900 .5873 999.9900 .7810 -.0115 .6518 .1230 .3433 .1480 44 ASP 44 .1806 -2.4630 999.9900 999.9900 .8104 -.4907 .6761 .3826 .5049 -.0827 45 SER 45 -.8292 999.9900 -.7153 999.9900 .6705 -.2913 .6763 .5340 .5933 .0673 46 MET 46 -.2651 .1642 999.9900 .9587 .5203 .3445 .6767 .5222 .5866 .4295 47 ARG 47 -.1624 -2.8571 999.9900 .1593 .8581 -.3686 .6793 .5228 .5880 -.0915 48 ILE 48 -.1535 -3.0500 999.9900 999.9900 .6034 -.8667 .6580 .0459 .3009 -.3793 49 GLN 49 -.4424 .9613 999.9900 1.3059 .5113 .5840 .6815 .5251 .5903 .5904 50 LEU 50 -.4786 -2.3037 999.9900 999.9900 .9565 -.6086 .6688 .1402 .3604 -.2034 51 PHE 51 .0900 -1.5308 999.9900 999.9900 .7573 -.2279 .6741 .1005 .3395 .0182 52 ASP 52 -3.3417 -1.5978 999.9900 999.9900 .8104 -1.3764 .6730 .3765 .5001 -.6159 53 GLY 53 .4395 999.9900 999.9900 999.9900 .7883 .6139 .5805 .4744 .5216 .5707 54 ASP 54 -3.3417 -1.0785 999.9900 999.9900 .8104 -1.2033 .6749 .3811 .5035 -.5108 55 ASP 55 -3.3417 -.6654 999.9900 999.9900 .8104 -1.0656 .6689 .3690 .4939 -.4318 56 GLN 56 -3.1236 -.4358 999.9900 1.3059 .5113 -.4356 .6760 .5143 .5817 -.0920 57 LEU 57 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6795 .1518 .3716 -.3472 58 LYS 58 -.6960 -1.9682 999.9900 -.0397 .7460 -.3995 .6731 .1549 .3708 -.1671 59 GLY 59 -.0934 999.9900 999.9900 999.9900 .7883 .3474 .5758 .4721 .5182 .4357 60 GLU 60 -.7347 .6653 999.9900 .3501 .6899 .2426 .6759 .5207 .5854 .3612 61 LEU 61 -3.7702 -.3774 999.9900 999.9900 .9565 -1.0637 .6800 .1485 .3700 -.4725 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6595 -.2812 .1108 -.8523 63 ASP 63 -3.3417 -3.7306 999.9900 999.9900 .8104 -2.0873 .6793 .3798 .5046 -1.0406 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5925 .4752 .5274 -.4076 65 ALA 65 -.1097 999.9900 999.9900 999.9900 .7458 .3180 .6621 .3171 .4608 .4038 66 LYS 66 -2.1934 -2.1617 999.9900 -.4035 .7460 -.8832 .6778 .1609 .3762 -.5111 67 SER 67 -.6802 999.9900 -.7153 999.9900 .6705 -.2417 .6802 .5415 .5993 .0993 68 LEU 68 -1.3832 -1.9980 999.9900 999.9900 .9565 -.8082 .6764 .1470 .3676 -.3203 69 LYS 69 .8536 -1.8181 999.9900 .1140 .7460 .0019 .6723 .1573 .3719 .1199 70 ASP 70 .2633 -2.0001 999.9900 999.9900 .8104 -.3088 .6723 .3777 .5005 .0247 71 LEU 71 -.2213 -1.3818 999.9900 999.9900 .9565 -.2156 .6722 .1680 .3781 .0387 72 GLY 72 .8124 999.9900 999.9900 999.9900 .7883 .8003 .5894 .4738 .5252 .6660 73 VAL 73 -4.3409 999.9900 .8055 999.9900 .7810 -.9181 .6499 .1322 .3479 -.3944 74 ARG 74 -2.9267 -1.6149 999.9900 .7862 .8581 -.4222 .6773 .5205 .5858 -.1305 75 ASP 75 -.2689 -1.8420 999.9900 999.9900 .8104 -.4335 .6840 .3904 .5127 -.0452 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5641 .4624 .5076 .7116 77 TYR 77 -.3989 -2.7782 999.9900 999.9900 .5630 -.8714 .6778 -.1703 .1830 -.4213 78 ARG 78 -.5614 -2.8571 999.9900 .7862 .8581 -.1976 .6777 .5245 .5883 .0306 79 ILE 79 .5210 -1.1393 999.9900 999.9900 .6034 -.0050 .6568 .0390 .2964 .1362 80 HIS 80 -.4447 .4861 999.9900 999.9900 .6686 .2366 .6810 .3283 .4752 .3438 81 ALA 81 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6712 .3167 .4644 .2084 82 VAL 82 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6579 .1215 .3450 -.1205 83 ASP 83 -.1859 .3593 999.9900 999.9900 .8104 .3280 .6735 .3875 .5067 .4090 84 VAL 84 -1.3532 999.9900 .4980 999.9900 .7810 -.0247 .6602 .1378 .3555 .1448 85 THR 85 .1579 999.9900 -.8810 999.9900 .4476 -.0918 .6573 -.2515 .1272 .0261 86 GLY 86 -.8495 999.9900 999.9900 999.9900 .7883 -.0306 .5825 .4695 .5197 .2477 87 GLY 87 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5920 .4777 .5285 -.0215 88 ASN 88 -.2263 -3.3254 999.9900 999.9900 .7518 -.9333 .6758 .3889 .5084 -.3470 89 GLU 89 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .6770 .5211 .5861 -.7918 90 ASP 90 999.9900 -1.3712 999.9900 999.9900 999.9900 -1.3712 .6783 .3660 .4999 -.1089 Means: -.6835 -1.6665 -.3162 .1553 .7218 -.3193 .6571 .2330 .4108 -.0228 2.00 analyzed_16