1 MET 1 999.9900 .8879 999.9900 .9587 .6113 .8193 .2909 .5892 .4536 .6676 2 ALA 2 -1.4845 999.9900 999.9900 999.9900 .1657 -.6594 .1484 .4547 .3270 -.1790 3 ASP 3 -1.1787 -1.5469 999.9900 999.9900 -.3974 -1.0410 -.5262 .4447 .0402 -.6409 4 THR 4 -.3846 999.9900 -.2947 999.9900 .7246 .0151 .2589 .2953 .2801 .1199 5 GLY 5 -2.4582 999.9900 999.9900 999.9900 .4101 -1.0241 -1.7807 .5772 -.4708 -.8129 6 GLU 6 -.9070 -1.2470 999.9900 -1.0323 .0814 -.7762 -.4865 .1163 -.1349 -.5792 7 VAL 7 -.5494 999.9900 -.5532 999.9900 .8778 -.0749 -.5664 .5682 .0955 -.0446 8 GLN 8 -.4791 -.4358 999.9900 1.3059 -1.6155 -.3061 -1.0757 .6475 -.0705 -.2755 9 PHE 9 .1414 .1164 999.9900 999.9900 -.9498 -.2307 -.3568 .1734 -.0476 -.1751 10 MET 10 -.0824 -2.5481 999.9900 .9587 -1.2625 -.7336 .1552 .6370 .4363 -.3570 11 LYS 11 -.8267 .8340 999.9900 .2495 -2.6618 -.4311 .4634 .4288 .4432 -.1805 12 PRO 12 -.7236 999.9900 999.9900 999.9900 -1.6867 -1.2052 -.0484 .1085 .0431 -.5876 13 PHE 13 .0900 -1.9363 999.9900 999.9900 -2.2412 -1.3625 .1289 -.3167 -.1310 -.8551 14 ILE 14 -.9062 .6227 999.9900 999.9900 -2.8566 -1.0467 .4485 .0256 .2018 -.5332 15 SER 15 .7489 999.9900 -.7153 999.9900 .1994 .0776 .3496 .5992 .4952 .2363 16 GLU 16 .8733 .1870 999.9900 -1.0323 .5923 .1551 .3629 .3006 .3266 .2140 17 LYS 17 -.6960 -.2970 999.9900 -.0770 .7669 -.0760 .5357 .5048 .5177 .0944 18 SER 18 -.5255 999.9900 .3727 999.9900 .0290 -.0413 .3544 .6000 .4976 .1661 19 SER 19 1.0911 999.9900 .8786 999.9900 .5215 .8304 .4567 .5484 .5102 .6993 20 LYS 20 -3.5196 .8340 999.9900 -.4035 -2.6618 -1.2309 .1234 .6273 .4173 -.7720 21 SER 21 -.5560 999.9900 -.0289 999.9900 .8558 .0903 .4547 .1405 .2714 .1732 22 LEU 22 .1006 -1.8410 999.9900 999.9900 -.6084 -.7829 -.0714 .3855 .1951 -.4069 23 GLU 23 -.8365 -.4584 999.9900 -1.0323 .7127 -.4036 .4022 -.0586 .1334 -.2118 24 ILE 24 .0718 -.0177 999.9900 999.9900 -.3033 -.0831 .5525 .4191 .4747 .1445 25 PRO 25 .4011 999.9900 999.9900 999.9900 -1.3105 -.4547 .5556 .4684 .5047 .0286 26 LEU 26 1.1349 -1.4036 999.9900 999.9900 .4774 .0696 .2942 .2397 .2624 .1485 27 GLY 27 1.2494 999.9900 999.9900 999.9900 .9364 1.0929 .5672 .6215 .5974 .8436 28 PHE 28 -.5116 .8190 999.9900 999.9900 .5949 .3008 .5406 .5922 .5707 .4070 29 ASN 29 .6639 -.8859 999.9900 999.9900 .2129 -.0030 .6608 .6159 .6346 .2535 30 GLU 30 .6116 -.4584 999.9900 -1.0323 .6424 -.0592 .4693 .5372 .5089 .1283 31 TYR 31 .3338 .5297 999.9900 999.9900 -.4027 .1536 .3549 .5822 .4875 .2796 32 PHE 32 -1.3662 -.3506 999.9900 999.9900 -2.2412 -1.3193 .2950 -.0821 .0750 -.7490 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 -.1935 -1.0798 -3.1977 .2182 -1.2051 -1.2848 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -3.1661 -1.8047 .1843 .3855 .3017 -.7599 35 PRO 35 .4049 999.9900 999.9900 999.9900 -1.0436 -.3194 .4521 .2020 .3062 .0038 36 PHE 36 -.8715 .1164 999.9900 999.9900 .5017 -.0845 -.5272 .1526 -.1307 -.1256 37 PRO 37 -.2410 999.9900 999.9900 999.9900 -.5244 -.3827 -.1685 .6366 .3012 -.0743 38 ILE 38 -.4906 -.0177 999.9900 999.9900 1.0081 .1666 .1411 .4768 .3369 .2235 39 THR 39 .0643 999.9900 -.8810 999.9900 -.6102 -.4757 .4757 .6288 .5650 -.0645 40 VAL 40 -.0523 999.9900 -.0276 999.9900 -1.5772 -.5523 .0858 -.1596 -.0574 -.3462 41 ASP 41 -.5526 -.5192 999.9900 999.9900 -.1878 -.4199 .5218 .5490 .5377 -.0378 42 LEU 42 .1006 .5402 999.9900 999.9900 -.0308 .2033 -.4472 .2416 -.0454 .0809 43 LEU 43 -.1897 -1.8410 999.9900 999.9900 .1683 -.6208 -.2721 .4662 .1586 -.3337 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 .6310 -1.2522 .3065 .4042 .3635 -.6092 45 TYR 45 -.3077 .5582 999.9900 999.9900 .5127 .2544 .4078 -.7470 -.2658 .0848 46 SER 46 -.2523 999.9900 1.2119 999.9900 .7781 .5792 .5915 .6013 .5972 .5861 47 GLY 47 -1.1609 999.9900 999.9900 999.9900 .9364 -.1122 .6570 .4900 .5642 .2306 48 ARG 48 -.5733 -2.8571 999.9900 .5548 .4837 -.3674 .1335 -.1179 -.0131 -.2602 49 SER 49 -.0741 999.9900 -.7153 999.9900 .6705 -.0397 .3719 .6138 .5130 .1733 50 TRP 50 -.0034 -.2441 999.9900 999.9900 -.9146 -.3874 -.3743 .3651 .0570 -.2343 51 THR 51 .1937 999.9900 .4804 999.9900 -1.3910 -.2390 -.3677 .4333 .0995 -.1303 52 VAL 52 -.8595 999.9900 -.5532 999.9900 .7810 -.2105 .2871 .6362 .4907 .0583 53 ARG 53 -.5160 .7158 999.9900 1.6274 -1.7309 .3447 -.1065 .4158 .1982 .2904 54 MET 54 -.3206 .2906 999.9900 .9587 .0476 .2441 .1299 -.2755 -.1066 .1384 55 LYS 55 -.2345 1.2989 999.9900 .4411 -2.0338 -.0174 -.1616 .5825 .2725 .0477 56 LYS 56 -.2858 .6458 999.9900 .1140 .6576 .2491 -4.1524 .0009 -1.7296 -.4151 57 ARG 57 -1.7561 .7037 999.9900 .5548 -.2445 -.0375 -.2421 .3188 .0850 -.0158 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .8016 -.5713 -.2624 .5874 .2097 -.2044 59 GLU 59 -1.0962 -.6497 999.9900 -1.0323 -1.8950 -1.1683 .1593 .4680 .3394 -.6743 60 LYS 60 -.3038 .7020 999.9900 .1731 -2.6618 -.3835 .4496 .2913 .3573 -.1681 61 VAL 61 -.3682 999.9900 .7395 999.9900 .8960 .4225 -.9158 .4530 -.1173 .1609 62 PHE 62 -.2058 .3244 999.9900 999.9900 .7573 .2920 -.4731 .2765 -.0358 .1359 63 LEU 63 -.1775 -1.9980 999.9900 999.9900 -.9806 -1.0520 -1.0846 .2337 -.3156 -.8014 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .6695 -1.2772 -.7846 .4776 -.0483 -.8277 65 VAL 65 -.7345 999.9900 .5873 999.9900 -.5257 -.2243 .2859 .4845 .4018 .0195 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .2782 -.8329 -.7648 .5725 -.0219 -.4645 67 TRP 67 .4280 .5502 999.9900 999.9900 .4467 .4750 .3761 .5980 .5056 .4798 68 GLU 68 .6833 -.9977 999.9900 -1.0323 .5112 -.2089 -.1285 .1720 .0468 -.1320 69 ASN 69 1.1678 -1.3461 999.9900 999.9900 .9106 .2441 -.4792 .5359 .1129 .1578 70 PHE 70 -.0803 -.6308 999.9900 999.9900 -.0075 -.2395 .4201 .2951 .3472 -.0007 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .8778 .2817 -.5065 .5903 .1333 .1858 72 LYS 72 .8536 -.2695 999.9900 .6506 -1.0384 .1694 .0189 .0228 .0212 .1269 73 ASP 73 .9921 -.4551 999.9900 999.9900 -.2530 .0947 .4791 .4406 .4566 .2407 74 ASN 74 -.1320 -1.5725 999.9900 999.9900 -.5831 -.7626 .4184 .3983 .4067 -.2942 75 ASN 75 -2.5793 .2165 999.9900 999.9900 -1.7070 -1.3566 .2659 .2348 .2478 -.7138 76 LEU 76 -.1897 .8730 999.9900 999.9900 .5293 .4042 -.3887 .5589 .1641 .2766 77 GLU 77 -1.2742 .6231 999.9900 -1.0323 -2.5035 -1.0467 .5556 -.0952 .1760 -.6211 78 ASP 78 -.1718 -1.4542 999.9900 999.9900 -.2530 -.6263 -.6444 -.3129 -.4510 -.5672 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.2551 -1.0996 -.2438 .5293 .1857 -.4784 80 LYS 80 -.2683 -1.8181 999.9900 .6906 -.4892 -.2389 -.9010 -.1029 -.4354 -.3140 81 TYR 81 .2641 -.0773 999.9900 999.9900 -.4027 -.0719 .1361 -.5780 -.2805 -.1315 82 LEU 82 -.1897 -2.1315 999.9900 999.9900 -1.2350 -1.1854 -.4997 .4360 .0461 -.7240 83 GLN 83 -.6834 .3754 999.9900 1.3059 .1188 .2792 -.0020 .2914 .1692 .2344 84 PHE 84 -.2255 .1033 999.9900 999.9900 .2172 .0317 .2052 .6363 .4567 .1873 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .2717 -.8728 -.2449 .3315 .0913 -.5064 86 TYR 86 -.0287 .4960 999.9900 999.9900 -1.0119 -.1815 .4557 .2329 .3257 .0288 87 ASP 87 -.3102 -.3623 999.9900 999.9900 -1.8780 -.8502 .0726 .1802 .1354 -.4596 88 ARG 88 -1.6049 -.7463 999.9900 1.3169 .7064 .1978 -.7675 .1278 -.2453 .0499 89 ASP 89 -1.8260 -1.1062 999.9900 999.9900 -.1266 -1.0196 -1.9908 -.7894 -1.2900 -1.1678 90 ARG 90 -.8806 -.0184 999.9900 .1593 -.0022 -.1165 .2430 .3563 .3091 .0024 91 THR 91 .4171 999.9900 .2916 999.9900 .1092 .2726 -.0520 .3503 .1827 .2232 92 PHE 92 -.2255 .5589 999.9900 999.9900 -.0075 .1087 .1933 .4034 .3159 .1845 93 TYR 93 -.0287 .4960 999.9900 999.9900 -1.0119 -.1815 -.0627 .4642 .2447 -.0286 94 VAL 94 .2313 999.9900 .8055 999.9900 -2.2406 -.4013 .1444 .6527 .4409 -.0814 95 ILE 95 .1597 .6227 999.9900 999.9900 -1.0155 -.0777 -.3458 .4414 .1134 -.0275 96 ILE 96 .2768 -1.0451 999.9900 999.9900 -1.7278 -.8320 -.5379 .5636 .1047 -.4941 97 TYR 97 -.1387 -.1547 999.9900 999.9900 -.4027 -.2321 -1.0906 .1002 -.3960 -.3373 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 -1.1231 -1.5336 .4801 .5835 .5376 -.5009 99 HIS 99 -2.1861 -.9211 999.9900 999.9900 -1.6368 -1.5813 -.0357 .3733 .2029 -.8813 100 ASN 100 -.6067 -2.0766 999.9900 999.9900 -.4633 -1.0489 -.3830 .5995 .1901 -.5860 101 MET 101 -1.4527 .5321 999.9900 2.6340 -1.9874 -.0685 -.1702 .5002 .2208 .0093 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 .4198 .5907 .5174 .7674 Means: -.4480 -.4253 .0798 .3333 -.3919 -.3025 -.0882 .3319 .1561 -.1385 2.00 refined_16