1 MET 1 999.9900 .5321 999.9900 .9587 -.1136 .4591 .4466 .5896 .5246 .4827 2 THR 2 -.2075 999.9900 .4804 999.9900 -.7236 -.1503 .2010 .4685 .3570 .0437 3 GLU 3 -.5578 -.6255 999.9900 -1.0323 .6424 -.3933 -2.4486 .6449 -.6441 -.5628 4 VAL 4 .0764 999.9900 -.0276 999.9900 .3189 .1226 -1.1562 .4879 -.1972 -.0601 5 TYR 5 .5758 -3.5861 999.9900 999.9900 .2769 -.9111 .1010 .4797 .3219 -.4305 6 ASP 6 -.3819 -.7325 999.9900 999.9900 -.7687 -.6277 -.2420 .6533 .2802 -.2944 7 LEU 7 -.7230 .8847 999.9900 999.9900 -3.2047 -1.0143 .1002 .0083 .0466 -.5869 8 GLU 8 -.7635 .7809 999.9900 .3501 .2101 .1444 -1.1409 -.0058 -.4788 -.0949 9 ILE 9 -.1408 -.0414 999.9900 999.9900 -1.7278 -.6367 -.4267 .6285 .1888 -.3416 10 THR 10 .4132 999.9900 .6346 999.9900 .4826 .5101 -2.6392 .4090 -.8611 -.1400 11 THR 11 -.8088 999.9900 -.8810 999.9900 .9813 -.2362 -5.2601 .3186 -2.0058 -1.1300 12 ASN 12 -.9968 -.2320 999.9900 999.9900 .3127 -.3054 .2495 .6026 .4555 -.0128 13 ALA 13 .5364 999.9900 999.9900 999.9900 .7881 .6623 .2785 .6823 .5141 .5713 14 THR 14 -.1996 999.9900 -.8810 999.9900 .5490 -.1772 -.0617 .5693 .3064 -.0048 15 ASP 15 -.1859 -.3095 999.9900 999.9900 .6310 .0452 .2994 .3026 .3013 .1475 16 PHE 16 -.6032 .8308 999.9900 999.9900 .2172 .1483 .5034 .6270 .5755 .3150 17 PRO 17 .0120 999.9900 999.9900 999.9900 .2426 .1273 .1557 .5571 .3899 .2419 18 MET 18 -.7108 .8879 999.9900 .9587 -.3043 .2079 .0699 .5814 .3683 .2471 19 GLU 19 -.5578 -.7564 999.9900 -1.0323 .3899 -.4891 -.8889 .3154 -.1864 -.4217 20 LYS 20 -.5771 .8596 999.9900 .2495 .2547 .2072 -.6488 .5651 .0593 .1361 21 LYS 21 -.3286 .7597 999.9900 -.0770 -1.0384 -.1523 .1003 .0580 .0756 -.0861 22 TYR 22 .1219 .8258 999.9900 999.9900 .2066 .3848 .5401 .1076 .2878 .3604 23 PRO 23 -1.4277 999.9900 999.9900 999.9900 .6931 -.3673 .4317 .3582 .3888 .0138 24 ALA 24 -.3032 999.9900 999.9900 999.9900 .8152 .2560 .2211 .6258 .4572 .3397 25 GLY 25 -.0858 999.9900 999.9900 999.9900 .8016 .3579 .3503 .6804 .5337 .4366 26 MET 26 -1.3694 -.5441 999.9900 .9587 .7725 -.0456 .1798 .4937 .3629 .0819 27 SER 27 .1787 999.9900 1.0592 999.9900 -.4586 .2598 .5523 .4158 .4727 .3495 28 LEU 28 .8475 .5315 999.9900 999.9900 .4774 .6188 -.0153 .4274 .2430 .4537 29 ASN 29 .7786 1.2520 999.9900 999.9900 .1006 .7104 .5066 .4244 .4586 .6124 30 ASP 30 -.2299 -.2599 999.9900 999.9900 .8336 .1146 .2199 .6108 .4479 .2349 31 LEU 31 .8182 -2.3037 999.9900 999.9900 .7348 -.2502 -.4634 .2865 -.0259 -.1855 32 LYS 32 .6780 .1550 999.9900 -.4035 .0060 .0064 -.6067 .0009 -.2523 -.0820 33 LYS 33 .9480 -.2970 999.9900 -.0397 -1.4057 -.1668 .5781 .6248 .6053 .0527 34 LYS 34 1.2214 -1.2879 999.9900 .5131 .1791 .2278 .1482 .2447 .2045 .2188 35 LEU 35 .8442 .8730 999.9900 999.9900 -.2790 .4794 .2520 .4414 .3625 .4263 36 GLU 36 .6116 1.2230 999.9900 -1.0323 1.0761 .4696 .3617 .3366 .3471 .4295 37 LEU 37 .8442 .5315 999.9900 999.9900 .2713 .5490 .4144 .6667 .5616 .5456 38 VAL 38 -.1540 999.9900 .3968 999.9900 -1.0415 -.2663 .4908 .6849 .6041 .0754 39 VAL 39 -1.2342 999.9900 -.0276 999.9900 .8778 -.1280 .4353 .5275 .4891 .1158 40 GLY 40 1.1139 999.9900 999.9900 999.9900 .8277 .9708 .4294 .6920 .5753 .7658 41 THR 41 -.1608 999.9900 -.8810 999.9900 .5490 -.1643 .0749 .4628 .3012 .0090 42 THR 42 -.7465 999.9900 -.8810 999.9900 -2.7258 -1.4511 .1673 .1362 .1492 -.8099 43 VAL 43 .8065 999.9900 .1416 999.9900 -1.0415 -.0311 .2119 .2550 .2370 .0747 44 ASP 44 .2633 -.2599 999.9900 999.9900 .0868 .0300 -.0213 .6062 .3447 .1350 45 SER 45 .2458 999.9900 .3727 999.9900 .3425 .3203 -1.5750 .2773 -.4945 -.0673 46 MET 46 -.5881 .0433 999.9900 .9587 -.8385 -.1062 -.8314 .5639 -.0175 -.1154 47 ARG 47 -.5383 -.7463 999.9900 .6901 .3956 .0982 .1830 .5006 .3683 .1678 48 ILE 48 .3543 -2.2551 999.9900 999.9900 .7362 -.3882 -.0208 .6142 .3496 -.1142 49 GLN 49 -.1803 1.1250 999.9900 1.3059 -.7286 .3805 -.3737 .5878 .1872 .2893 50 LEU 50 -.0536 -1.4036 999.9900 999.9900 -1.0998 -.8523 -.6343 .3957 -.0335 -.5591 51 PHE 51 -.0803 .5510 999.9900 999.9900 -.1944 .0921 -.2226 .4450 .1668 .0997 52 ASP 52 -.6293 -1.7105 999.9900 999.9900 .1786 -.7204 -1.7279 .5595 -.3936 -.6659 53 GLY 53 .2494 999.9900 999.9900 999.9900 .5943 .4218 .5417 .5726 .5589 .4895 54 ASP 54 -.2299 -1.4542 999.9900 999.9900 -.0689 -.5843 .2222 .6398 .4658 -.1782 55 ASP 55 -3.3417 -.5059 999.9900 999.9900 -2.9873 -2.2783 .5458 .4786 .5066 -1.1621 56 GLN 56 -.7555 -.2368 999.9900 1.3059 -.7286 -.1037 .4166 .2177 .3006 .0366 57 LEU 57 -.1836 -1.4036 999.9900 999.9900 .2381 -.4497 -.2621 .1501 -.0217 -.2922 58 LYS 58 -.4760 .2033 999.9900 -.0770 .7669 .0680 -.4012 .6586 .2170 .0854 59 GLY 59 -.6631 999.9900 999.9900 999.9900 .7185 .0277 -.7759 .6571 .0202 -.0158 60 GLU 60 -.4269 .6653 999.9900 1.7325 .3899 .5902 -1.2253 -.0427 -.5355 .1821 61 LEU 61 -3.7702 .8847 999.9900 999.9900 -1.5756 -1.4870 -1.6553 .0107 -.6835 -1.2211 62 THR 62 -4.2065 999.9900 1.6096 999.9900 .5490 -.6826 .2731 -.3780 -.1067 -.4306 63 ASP 63 -.0277 -.3623 999.9900 999.9900 .2628 -.0424 -1.1145 .3122 -.2823 -.1859 64 GLY 64 -1.0990 999.9900 999.9900 999.9900 -.3938 -.7464 -.1459 .5970 .2668 -.2604 65 ALA 65 -.3032 999.9900 999.9900 999.9900 .7881 .2424 .5273 .6413 .5938 .4134 66 LYS 66 -2.4227 -1.6955 999.9900 .3546 -.4103 -.7639 .0130 .2921 .1758 -.5020 67 SER 67 -.3889 999.9900 -.0289 999.9900 .5215 .0346 -2.8572 .2885 -1.0222 -.4930 68 LEU 68 .2872 .6031 999.9900 999.9900 .7139 .5347 .2285 .0205 .1072 .3706 69 LYS 69 .8536 -2.9005 999.9900 .9398 .7460 .1157 .2691 .3814 .3346 .1756 70 ASP 70 .9343 -.4551 999.9900 999.9900 -.7687 -.0965 -.1197 .6345 .3203 .0451 71 LEU 71 -.2213 .8847 999.9900 999.9900 .3346 .3327 .6261 .5743 .5958 .4397 72 GLY 72 -.4374 999.9900 999.9900 999.9900 .8277 .1951 .5283 .6573 .6000 .3939 73 VAL 73 .7260 999.9900 .5873 999.9900 -.3781 .3118 -.2236 .1632 .0020 .1750 74 ARG 74 -2.9267 .3495 999.9900 .5548 .7064 -.1522 -.0687 .1847 .0791 -.0922 75 ASP 75 -.5648 -1.0518 999.9900 999.9900 .8336 -.2610 -.3773 .4894 .1283 -.1342 76 GLY 76 1.0529 999.9900 999.9900 999.9900 .8897 .9713 .1400 .5813 .3851 .6660 77 TYR 77 -.3370 -1.6488 999.9900 999.9900 .7784 -.4025 -.2806 .6011 .2337 -.1774 78 ARG 78 -.5160 .7317 999.9900 .5548 -.0022 .2646 -.4951 .5436 .1109 .1960 79 ILE 79 .1597 -.3653 999.9900 999.9900 .2216 .0053 -1.1686 .4936 -.1990 -.1318 80 HIS 80 -.7615 .6357 999.9900 999.9900 -1.6368 -.5875 -1.1643 .6530 -.1042 -.4548 81 ALA 81 -.8937 999.9900 999.9900 999.9900 .6708 -.1115 -1.2265 .5710 -.1780 -.2196 82 VAL 82 .0429 999.9900 -1.0788 999.9900 .8960 -.0466 -.5458 .4410 .0298 -.0489 83 ASP 83 -.0277 -1.1348 999.9900 999.9900 -.1878 -.4501 -1.0070 .4952 -.1307 -.3724 84 VAL 84 -1.4748 999.9900 -.0276 999.9900 -.8010 -.7678 .5152 .5633 .5432 -.2450 85 THR 85 .8748 999.9900 -.8810 999.9900 .1092 .0343 .3090 .5850 .4700 .1994 86 GLY 86 -.2001 999.9900 999.9900 999.9900 -.2551 -.2276 .6164 .7034 .6647 .2161 87 GLY 87 .6686 999.9900 999.9900 999.9900 .0351 .3519 .2869 .5813 .4505 .3930 88 ASN 88 -.1320 -.5009 999.9900 999.9900 -1.7070 -.7800 .1413 .4450 .3185 -.3507 89 GLU 89 -3.2255 -.3402 999.9900 -1.0323 .2491 -1.0872 .5474 .4534 .4925 -.5580 90 ASP 90 999.9900 -.2599 999.9900 999.9900 999.9900 -.2599 .2099 .3258 .2761 .0919 Means: -.3113 -.2467 -.0174 .3211 .0057 -.1061 -.2367 .4372 .1546 -.0232 2.00 refined_16