1 MET 1 999.9900 .5321 999.9900 .9587 -.8385 .2174 .4441 .5696 .5126 .3332 2 THR 2 -1.0713 999.9900 -.8810 999.9900 -2.0584 -1.3369 -.7848 .2756 -.1663 -.9040 3 GLU 3 -2.8104 .9247 999.9900 .3501 1.0761 -.1149 -2.8654 .4339 -.9408 -.4818 4 VAL 4 -.0145 999.9900 -.0276 999.9900 -.3121 -.1180 -.4386 .5526 .1396 -.0480 5 TYR 5 .6244 -3.2286 999.9900 999.9900 -.5629 -1.0557 -.3780 .4749 .1195 -.6140 6 ASP 6 .1056 -1.1062 999.9900 999.9900 .3772 -.2078 -4.9084 .3750 -1.8264 -1.0313 7 LEU 7 -.7230 -2.9612 999.9900 999.9900 .3648 -1.1064 -1.6086 -.1617 -.7646 -1.0179 8 GLU 8 -1.1136 .7809 999.9900 -1.0323 .0814 -.3209 -1.5933 .2580 -.5133 -.4365 9 ILE 9 .0718 -.0177 999.9900 999.9900 -.7199 -.2220 -1.8188 .5901 -.4136 -.3789 10 THR 10 .3531 999.9900 -.8810 999.9900 -1.3910 -.6397 -2.0173 .3026 -.6640 -.7267 11 THR 11 .1631 999.9900 -.8810 999.9900 .5490 -.0563 -3.6942 .0597 -1.5044 -.7607 12 ASN 12 .7786 -.5828 999.9900 999.9900 -.5831 -.1291 -.3824 -.7755 -.6117 -.3091 13 ALA 13 -1.7252 999.9900 999.9900 999.9900 .9520 -.3866 -.3202 .3014 .0424 -.1980 14 THR 14 .4548 999.9900 .6346 999.9900 .7766 .6220 .4513 .5752 .5236 .5785 15 ASP 15 -.2149 -.7325 999.9900 999.9900 .6310 -.1055 .3123 .5717 .4636 .1135 16 PHE 16 .0490 .5589 999.9900 999.9900 -.7419 -.0447 .4996 .5136 .5078 .1758 17 PRO 17 .3744 999.9900 999.9900 999.9900 .5793 .4769 .0483 .5716 .3536 .3934 18 MET 18 -.1671 .8373 999.9900 .9587 .6113 .5600 -.1090 .6414 .3287 .4621 19 GLU 19 -.5440 1.0525 999.9900 -1.0323 -.6780 -.3005 -1.2051 .6239 -.1382 -.2972 20 LYS 20 -.2023 -.2562 999.9900 .2495 .2547 .0590 -.4278 .5791 .1596 .0638 21 LYS 21 -.3286 .8340 999.9900 .1731 .7460 .3195 -.1324 .6326 .3138 .2997 22 TYR 22 .1961 .8463 999.9900 999.9900 .6984 .5803 .5582 .3946 .4628 .5387 23 PRO 23 .6201 999.9900 999.9900 999.9900 .6188 .6195 .5527 .3411 .4292 .5332 24 ALA 24 .5799 999.9900 999.9900 999.9900 .8416 .7108 .1356 .5146 .3567 .5180 25 GLY 25 -.0783 999.9900 999.9900 999.9900 .4883 .2050 .6160 .5582 .5839 .3961 26 MET 26 -.4490 -.1452 999.9900 .9587 .0476 .1030 .3346 .6019 .4905 .2248 27 SER 27 -.1428 999.9900 .6576 999.9900 -.4586 .0187 .2056 .3890 .3126 .1302 28 LEU 28 .8786 -1.4036 999.9900 999.9900 -.3982 -.3077 .3201 .4038 .3689 -.0399 29 ASN 29 1.1272 1.2520 999.9900 999.9900 .1006 .8266 .4136 .1796 .2771 .6146 30 ASP 30 .9921 -.7325 999.9900 999.9900 .1337 .1311 .0891 .5235 .3425 .2012 31 LEU 31 .9913 -1.2835 999.9900 999.9900 .7139 .1406 -.3074 .3925 .1009 .1014 32 LYS 32 .8536 1.1776 999.9900 -.4035 .7460 .3940 -8.5970 -.2606 -3.7341 -.9839 33 LYS 33 .1686 -.7632 999.9900 -.0770 -.3378 -.2173 .4391 .4987 .4739 -.0212 34 LYS 34 .8536 -.7632 999.9900 -.0770 -.2082 -.0544 .4257 .2358 .3149 .0557 35 LEU 35 .0401 .8847 999.9900 999.9900 .4504 .4584 .3691 .4753 .4310 .4439 36 GLU 36 .6116 .2661 999.9900 -1.0323 -.9305 -.2713 -.0023 .2658 .1541 -.1369 37 LEU 37 .8786 .5315 999.9900 999.9900 .7949 .7350 .4403 .5546 .5070 .6400 38 VAL 38 -1.0844 999.9900 .3968 999.9900 -.0367 -.2414 .5272 .6174 .5798 .0841 39 VAL 39 -.6856 999.9900 .7395 999.9900 .4426 .1655 .0495 .6339 .3904 .2360 40 GLY 40 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .1588 .6928 .4555 .6962 41 THR 41 -.7465 999.9900 -.8810 999.9900 .1092 -.5061 -.3024 -.0294 -.1431 -.3700 42 THR 42 .4132 999.9900 -.8810 999.9900 -1.6680 -.7119 .1718 .4293 .3220 -.3069 43 VAL 43 -.2252 999.9900 .8055 999.9900 .5258 .3687 .4605 .5936 .5382 .4320 44 ASP 44 1.1285 -.5059 999.9900 999.9900 .8104 .4777 .2769 .6556 .4978 .4731 45 SER 45 -.0963 999.9900 .6576 999.9900 -2.5979 -.6789 -1.5199 .1721 -.5329 -.6769 46 MET 46 -.3503 -.1672 999.9900 .9587 -1.9874 -.3866 .0072 .5009 .2952 -.1730 47 ARG 47 -.4155 -2.8571 999.9900 .7862 -1.3564 -.6113 -.3131 .0436 -.1050 -.4752 48 ILE 48 .0187 -3.0500 999.9900 999.9900 .2717 -.9199 -.0221 .5624 .3188 -.4439 49 GLN 49 -.4424 -.5355 999.9900 1.3059 .5636 .2229 .1194 .5363 .3626 .2579 50 LEU 50 -.0792 -1.4036 999.9900 999.9900 -1.0998 -.8609 -.8597 .5630 -.0298 -.5759 51 PHE 51 .0900 .5510 999.9900 999.9900 -.4285 .0708 -.6731 .3968 -.0490 -.0128 52 ASP 52 -1.1787 -1.0010 999.9900 999.9900 .4469 -.5776 -.9856 .4935 -.1228 -.4450 53 GLY 53 -.2363 999.9900 999.9900 999.9900 .0036 -.1164 .3611 .5083 .4429 .1592 54 ASP 54 -3.3417 -2.0928 999.9900 999.9900 .7118 -1.5742 -.3874 .3200 .0252 -.9580 55 ASP 55 -3.3417 -.2599 999.9900 999.9900 -1.5875 -1.7297 .5242 .5394 .5331 -.8251 56 GLN 56 -.1723 -.5630 999.9900 1.3059 .6605 .3078 .2906 -.0353 .1005 .2477 57 LEU 57 -.5868 -1.0719 999.9900 999.9900 .4774 -.3938 -.5365 -.2726 -.3826 -.3981 58 LYS 58 .0419 .1761 999.9900 -.0770 .8827 .1893 -.0687 .6310 .3395 .2156 59 GLY 59 -.0934 999.9900 999.9900 999.9900 -.2551 -.1743 -.2554 .2064 .0012 -.0994 60 GLU 60 -.7347 -.3719 999.9900 -1.0323 -.1261 -.5663 -.5930 -.1280 -.3217 -.4977 61 LEU 61 -3.7702 -2.1315 999.9900 999.9900 .1315 -1.9234 -.2942 .3355 .0732 -1.1458 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .7766 -1.4370 -.4021 -1.8071 -1.2217 -1.3040 63 ASP 63 -.3819 -.7868 999.9900 999.9900 .6026 -.1887 -.8634 .2380 -.2209 -.2383 64 GLY 64 -2.1575 999.9900 999.9900 999.9900 -2.0052 -2.0813 -.9547 .6629 -.0561 -1.1136 65 ALA 65 -.5304 999.9900 999.9900 999.9900 .3801 -.0751 .5615 .2044 .3532 .1539 66 LYS 66 -1.4779 .1550 999.9900 .4411 -.4103 -.1702 .2145 .4353 .3433 -.0287 67 SER 67 -.1368 999.9900 -.7153 999.9900 -.8619 -.5713 -.8769 .1571 -.2738 -.4868 68 LEU 68 .2140 .5236 999.9900 999.9900 .7139 .4838 .2252 .1256 .1671 .3605 69 LYS 69 1.2214 .8596 999.9900 1.5164 .8457 1.1919 .6777 .5167 .5838 1.0220 70 ASP 70 1.1285 -.4551 999.9900 999.9900 -.3226 .1169 .5099 .5286 .5208 .2779 71 LEU 71 -.5757 .8847 999.9900 999.9900 .7348 .3479 .3557 .5921 .4936 .3983 72 GLY 72 .1996 999.9900 999.9900 999.9900 .4101 .3048 .1718 .6986 .4645 .3700 73 VAL 73 -.0288 999.9900 .5873 999.9900 -.0858 .1576 -.2558 .6566 .2764 .1747 74 ARG 74 -2.2658 .6306 999.9900 .1593 .4407 -.1752 .3401 .3339 .3365 -.0288 75 ASP 75 -.0277 -1.3328 999.9900 999.9900 -.6624 -.6743 -1.0796 .2322 -.3143 -.5740 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .5069 .7691 .5513 .4749 .5088 .6411 77 TYR 77 -.5773 .3463 999.9900 999.9900 .7784 .1825 -.2274 .3122 .0874 .1264 78 ARG 78 -.5160 .8024 999.9900 .6901 .7064 .4746 -2.8626 .0067 -1.1889 -.0690 79 ILE 79 .3543 -.0177 999.9900 999.9900 .9338 .4235 -1.7771 .5608 -.4133 .0108 80 HIS 80 -.4447 .6357 999.9900 999.9900 .5185 .2365 -1.1533 .6275 -.1145 .0367 81 ALA 81 -.7791 999.9900 999.9900 999.9900 .8152 .0181 -.9357 .5957 -.0424 -.0760 82 VAL 82 -.0346 999.9900 -1.0788 999.9900 .7394 -.1246 -1.1625 .5399 -.1694 -.1993 83 ASP 83 -.6293 -1.0518 999.9900 999.9900 .9215 -.2532 -2.9163 .6236 -.8514 -.6105 84 VAL 84 -1.9210 999.9900 .6672 999.9900 -.3121 -.5220 .3622 .5911 .4957 -.1225 85 THR 85 -.4891 999.9900 -.8810 999.9900 .9813 -.1296 .1142 .5607 .3747 .0572 86 GLY 86 -.3460 999.9900 999.9900 999.9900 .0951 -.1255 .1702 .6694 .4475 .1472 87 GLY 87 -.5417 999.9900 999.9900 999.9900 .7039 .0811 -.6595 .6598 .0735 .0406 88 ASN 88 -.3482 -.8859 999.9900 999.9900 -.0996 -.4446 .0647 .5546 .3504 -.1429 89 GLU 89 -3.2255 1.1195 999.9900 -1.0323 -2.5035 -1.4105 -.5122 .1663 -.1164 -.9980 90 ASP 90 999.9900 -.3302 999.9900 999.9900 999.9900 -.3302 .1516 .2423 .2034 .0212 Means: -.3415 -.3103 -.1579 .2470 .0386 -.1355 -.4677 .3697 .0186 -.0986 2.00 refined_17