1 MET 1 999.9900 .5321 999.9900 .9587 .4206 .6371 .3850 .6424 .5254 .5878 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 .6550 -.6509 -.0481 .6480 .3580 -.1755 3 ASP 3 -1.4290 -1.1062 999.9900 999.9900 -1.8780 -1.4711 .0339 .5389 .3284 -.7681 4 THR 4 .0584 999.9900 -.2947 999.9900 -1.0006 -.4123 .3333 .4930 .4265 -.0821 5 GLY 5 -.0783 999.9900 999.9900 999.9900 .8277 .3747 -1.4635 .4920 -.3771 -.0555 6 GLU 6 -.7937 -.5578 999.9900 -1.0323 -2.5035 -1.2218 -1.1530 .3665 -.2666 -.9456 7 VAL 7 .4158 999.9900 -1.0788 999.9900 -1.0415 -.5682 -.4629 .0882 -.1414 -.4158 8 GLN 8 -.5881 -.9251 999.9900 1.3059 -1.2230 -.3576 -.6079 .3863 -.0279 -.2753 9 PHE 9 -.0559 -.3078 999.9900 999.9900 -1.2178 -.5272 -.4015 .1591 -.0745 -.3648 10 MET 10 -.1025 .4901 999.9900 .9587 -.3043 .2605 -.3126 .6642 .2572 .2323 11 LYS 11 -.3099 -.2695 999.9900 .7677 -2.0338 -.2156 .2518 .2197 .2331 -.0866 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .4949 -.1143 -.0638 .4643 .2443 .0430 13 PHE 13 -.2457 -.7766 999.9900 999.9900 -.1944 -.4055 -.6973 -.5293 -.5993 -.4887 14 ILE 14 -.3251 .6227 999.9900 999.9900 -1.0155 -.2393 -.0535 .0613 .0135 -.1420 15 SER 15 .8760 999.9900 -.7153 999.9900 -.0193 .0471 .5258 .5049 .5136 .2344 16 GLU 16 .8733 1.1195 999.9900 -1.0323 -1.0906 -.0325 .6377 .3369 .4622 .1407 17 LYS 17 -1.4779 -1.9682 999.9900 .2495 .0060 -.5882 -.3227 .2200 -.0062 -.4348 18 SER 18 .5661 999.9900 .3727 999.9900 .5991 .5126 .1750 .4459 .3330 .4318 19 SER 19 .6980 999.9900 .6576 999.9900 -.3096 .3487 .4739 .5354 .5098 .4111 20 LYS 20 -3.5196 .1550 999.9900 .6906 -.8987 -.5764 .5498 .4775 .5076 -.2650 21 SER 21 -.4229 999.9900 -.0289 999.9900 .9098 .1527 .2542 .5801 .4443 .2585 22 LEU 22 -.1596 -2.2115 999.9900 999.9900 -.4635 -.9449 .1066 .3170 .2293 -.4822 23 GLU 23 -1.1689 -.6022 999.9900 -1.0323 -.6780 -.8703 .1996 .4053 .3196 -.4794 24 ILE 24 -.4584 -.3653 999.9900 999.9900 .5300 -.0979 .5496 .6050 .5819 .1722 25 PRO 25 .1313 999.9900 999.9900 999.9900 .4021 .2667 .5635 .4661 .5067 .3907 26 LEU 26 .2872 .8730 999.9900 999.9900 -.0758 .3615 .6923 .5768 .6250 .4707 27 GLY 27 .9829 999.9900 999.9900 999.9900 -.3452 .3189 .6644 .6371 .6492 .4848 28 PHE 28 -.5116 .5510 999.9900 999.9900 -.0075 .0107 .4018 .6040 .5197 .2075 29 ASN 29 1.1117 .2165 999.9900 999.9900 .4442 .5908 .3747 .6731 .5488 .5640 30 GLU 30 -.3012 .6231 999.9900 .3501 -2.5035 -.4579 -.2396 .6001 .2503 -.2452 31 TYR 31 -.8584 .4609 999.9900 999.9900 .1301 -.0892 .3107 .2952 .3017 .0677 32 PHE 32 -1.0802 .2821 999.9900 999.9900 .3416 -.1521 .4680 .4289 .4452 .0881 33 PRO 33 .1313 999.9900 999.9900 999.9900 .9143 .5228 .3718 .5102 .4525 .4819 34 ALA 34 .7636 999.9900 999.9900 999.9900 -.1129 .3254 -.5199 -.0096 -.2222 .0303 35 PRO 35 -3.2630 999.9900 999.9900 999.9900 .1827 -1.5401 .0489 .5663 .3507 -.6163 36 PHE 36 -.8947 .1357 999.9900 999.9900 -.7419 -.5003 .0430 .3992 .2508 -.2117 37 PRO 37 -.7236 999.9900 999.9900 999.9900 -.6674 -.6955 -.4660 .2326 -.0585 -.4061 38 ILE 38 -2.4302 -2.2551 999.9900 999.9900 -.8571 -1.8475 -.1565 -.0467 -.0925 -1.1491 39 THR 39 .0347 999.9900 -.8810 999.9900 -1.0006 -.6157 .1161 .3541 .2549 -.2754 40 VAL 40 -.3909 999.9900 -.2457 999.9900 -.8010 -.4792 .0129 -.3680 -.2093 -.3586 41 ASP 41 -.4836 -.7868 999.9900 999.9900 -.5661 -.6122 .4055 .4357 .4231 -.1991 42 LEU 42 -.0536 .5402 999.9900 999.9900 .5293 .3387 -.0028 .3900 .2263 .2806 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 .7949 -.3885 -1.3007 .4963 -.2525 -.3940 44 ASP 44 -.7969 -.8657 999.9900 999.9900 .5431 -.3732 .3225 .5206 .4380 -.0553 45 TYR 45 -.3830 -.6802 999.9900 999.9900 .8158 -.0825 .6584 .4042 .5101 .1630 46 SER 46 .2458 999.9900 -.7153 999.9900 -1.3611 -.6102 .5145 .3944 .4444 -.1843 47 GLY 47 -.6631 999.9900 999.9900 999.9900 -.0291 -.3461 .6374 .2887 .4437 .0585 48 ARG 48 -.6502 -2.8571 999.9900 .5548 -.3418 -.5479 -.1187 -.8320 -.5348 -.5272 49 SER 49 -.0741 999.9900 .3727 999.9900 .0290 .1092 -.1624 .5109 .2304 .1352 50 TRP 50 -.1951 -1.0414 999.9900 999.9900 .5918 -.2149 -1.1134 .0185 -.4531 -.3479 51 THR 51 -.5830 999.9900 .4804 999.9900 -2.0584 -.7203 .1652 .2062 .1892 -.3579 52 VAL 52 -.5494 999.9900 -.5532 999.9900 -.0367 -.3798 .4935 .5007 .4977 -.0290 53 ARG 53 -.4343 .8164 999.9900 .9503 .6379 .5841 .4418 .3562 .3918 .5312 54 MET 54 -.9371 .8830 999.9900 .9587 -.5376 .0917 .4858 .5280 .5104 .2301 55 LYS 55 -.2345 1.2989 999.9900 .3546 .2547 .4057 .5792 .5784 .5787 .4551 56 LYS 56 -.4232 .2165 999.9900 .4778 .2547 .2007 -.9216 .3079 -.2044 .0557 57 ARG 57 -1.7561 1.1781 999.9900 .1593 -.2445 -.1008 .5906 .5689 .5779 .0937 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 .5943 -.2998 -.0589 .6713 .3467 .0032 59 GLU 59 -.9196 .6231 999.9900 -1.0323 -2.5035 -.9581 -.1833 .2197 .0518 -.6327 60 LYS 60 -.4999 .3679 999.9900 .2868 -.6710 -.0459 -2.1727 .3367 -.7089 -.2951 61 VAL 61 .5332 999.9900 -.0276 999.9900 .5521 .3526 -2.9879 .0158 -1.2358 -.3829 62 PHE 62 .0058 .9147 999.9900 999.9900 .6382 .5196 -1.2217 .3978 -.2770 .1470 63 LEU 63 -.8349 -1.0719 999.9900 999.9900 -2.5031 -1.4700 -.0781 -.3355 -.2282 -.9647 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -.0562 -1.7146 .3425 .5247 .4487 -.8553 65 VAL 65 -.4485 999.9900 .3968 999.9900 -.0367 -.0295 .1668 .6040 .4218 .1365 66 GLY 66 -1.8567 999.9900 999.9900 999.9900 -1.0172 -1.4370 -.0229 .6225 .3357 -.5686 67 TRP 67 .9492 .5502 999.9900 999.9900 -.1614 .4460 -.3428 .4913 .1437 .2973 68 GLU 68 .3258 .5420 999.9900 -1.0323 -.3984 -.1407 .0107 .3431 .2046 -.0349 69 ASN 69 1.0488 .4888 999.9900 999.9900 -.4633 .3581 -.3112 .3281 .0617 .2182 70 PHE 70 .8041 -1.7109 999.9900 999.9900 .7193 -.0625 .4072 -.0722 .1275 .0295 71 VAL 71 1.0462 999.9900 -.2457 999.9900 .5521 .4508 -.0265 .5419 .3051 .3736 72 LYS 72 .6780 -2.1617 999.9900 .5131 .0060 -.0903 -.1619 -.2832 -.2327 -.1281 73 ASP 73 .2706 -1.4992 999.9900 999.9900 .6026 -.2087 .5653 .4826 .5171 .0844 74 ASN 74 .3666 .9797 999.9900 999.9900 .3587 .5683 .3932 .5684 .4954 .5333 75 ASN 75 -2.3558 .3778 999.9900 999.9900 -.5831 -.8537 -.1959 .1467 .0040 -.5221 76 LEU 76 -2.2364 .5402 999.9900 999.9900 -.2242 -.6402 -.2988 -.1327 -.2019 -.4704 77 GLU 77 -.9196 .7809 999.9900 -1.0323 -.6780 -.4623 .2583 .3553 .3148 -.2059 78 ASP 78 -.5899 -.2599 999.9900 999.9900 .5431 -.1022 .3169 .3775 .3522 .0775 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 .8897 -.2064 -.0420 .5310 .2763 .0190 80 LYS 80 -.9723 -2.1617 999.9900 -.4035 -.2707 -.8423 .2865 .5026 .4126 -.4889 81 TYR 81 .3271 -.6481 999.9900 999.9900 -1.0119 -.4443 .1723 .3555 .2792 -.1610 82 LEU 82 -.1655 -2.4128 999.9900 999.9900 .4774 -.7003 -1.0349 -.3224 -.6192 -.6916 83 GLN 83 -.1966 -.1259 999.9900 1.3059 .1963 .2949 -.7503 .1978 -.1972 .1045 84 PHE 84 .0966 .8396 999.9900 999.9900 -.4285 .1692 -.6109 .2229 -.1245 .0239 85 ILE 85 -.0022 -.0414 999.9900 999.9900 -2.8566 -.9668 -.7189 -.0324 -.3184 -.7303 86 TYR 86 -.3370 .2884 999.9900 999.9900 -.7591 -.2692 .2783 -.0163 .1065 -.1091 87 ASP 87 -3.3417 -.3515 999.9900 999.9900 -2.9873 -2.2268 -.6021 -1.0063 -.8379 -1.6578 88 ARG 88 -.4945 -2.8571 999.9900 .1593 -2.3710 -1.0808 .0925 -.2135 -.0860 -.7893 89 ASP 89 -2.8635 -2.0928 999.9900 999.9900 .8104 -1.3820 -.9001 .4065 -.1379 -.9279 90 ARG 90 -.3973 .7037 999.9900 .7862 .4407 .4639 -.3265 .1661 -.0392 .3084 91 THR 91 .2184 999.9900 .9776 999.9900 .5164 .5708 -.3489 .1185 -.0762 .2964 92 PHE 92 .0900 .8160 999.9900 999.9900 .3981 .4347 -.2328 .5308 .2126 .3204 93 TYR 93 .2641 .4960 999.9900 999.9900 -.5629 .0657 .3734 .3665 .3693 .1874 94 VAL 94 .3372 999.9900 .7395 999.9900 -.8010 .0919 .4331 .6132 .5382 .2644 95 ILE 95 .3543 -.0177 999.9900 999.9900 .7362 .3576 .0385 .5377 .3297 .3298 96 ILE 96 .0718 -.2165 999.9900 999.9900 -.7199 -.2882 .2196 .5780 .4287 -.0134 97 TYR 97 -.6832 .8463 999.9900 999.9900 .3421 .1684 .2731 .4844 .3964 .2525 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.3452 -1.9158 .3644 .5800 .4842 -.7218 99 HIS 99 -.1922 -.1773 999.9900 999.9900 .5185 .0496 -.2803 .3251 .0728 .0387 100 ASN 100 -1.0675 .1235 999.9900 999.9900 -.0996 -.3478 .0659 .3340 .2223 -.1287 101 MET 101 -.9371 .5321 999.9900 .9587 .7725 .3315 -.1023 .5735 .2919 .2996 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .0170 .2669 .1598 .3823 Means: -.5014 -.2235 -.0425 .2999 -.2841 -.2542 -.0570 .3190 .1617 -.1053 2.00 refined_13