1 MET 1 999.9900 -.2135 999.9900 .9587 .6950 .4801 .1848 .5310 .3736 .4312 2 ALA 2 -1.5816 999.9900 999.9900 999.9900 .3801 -.6007 -.5198 .6436 .1589 -.2694 3 ASP 3 -.7799 -.5059 999.9900 999.9900 .9215 -.1215 -.4818 .5583 .1249 -.0576 4 THR 4 -2.1544 999.9900 .6346 999.9900 .2056 -.4381 -.1743 .6027 .2790 -.1772 5 GLY 5 -.2180 999.9900 999.9900 999.9900 -.0291 -.1236 .2666 .4418 .3639 .1153 6 GLU 6 -2.8104 .7809 999.9900 1.1588 .6424 -.0571 .3599 .0596 .1847 .0318 7 VAL 7 -.8595 999.9900 -.2457 999.9900 -.0858 -.3970 .1050 .6091 .3991 -.0954 8 GLN 8 -.4190 1.1250 999.9900 1.3059 -1.6155 .0991 .1950 .4645 .3522 .1760 9 PHE 9 -.1316 .7639 999.9900 999.9900 .0736 .2353 -.0580 .3610 .1865 .2018 10 MET 10 -.2922 .5321 999.9900 .9587 .6950 .4734 .5033 .6210 .5720 .5030 11 LYS 11 -.7523 .1966 999.9900 -.4035 -.4892 -.3704 .5144 .5134 .5138 -.1177 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .1827 -.0389 .0013 .5027 .2938 .1066 13 PHE 13 -.1866 -.6014 999.9900 999.9900 .4513 -.1122 .2414 .5991 .4500 .1008 14 ILE 14 .3543 -1.8577 999.9900 999.9900 -.4906 -.6647 -.1916 .2036 .0390 -.3964 15 SER 15 .6980 999.9900 -.0289 999.9900 .3749 .3480 -.8096 .5138 -.0376 .1497 16 GLU 16 .1025 -1.2470 999.9900 -1.0323 -1.0906 -.8168 -.0386 .3716 .2007 -.4891 17 LYS 17 -2.0221 .0381 999.9900 .5368 -2.6618 -.7144 .2289 .2391 .2349 -.4434 18 SER 18 .1178 999.9900 -.0289 999.9900 .3425 .1438 .1381 .5266 .3647 .2192 19 SER 19 .6980 999.9900 -.0289 999.9900 .2374 .3022 .4742 .5073 .4935 .3776 20 LYS 20 -1.5887 .2165 999.9900 1.3036 .7872 .4045 .1582 .6606 .4513 .4059 21 SER 21 .0280 999.9900 -.7153 999.9900 .4364 -.0836 .1656 -.0169 .0591 -.0205 22 LEU 22 -.1596 -1.8410 999.9900 999.9900 .4774 -.5077 .3457 .5103 .4417 -.1334 23 GLU 23 -.9070 -.6748 999.9900 -1.0323 .7566 -.4644 -.2163 .6479 .2878 -.2377 24 ILE 24 -.2299 .6227 999.9900 999.9900 -2.1444 -.5839 .1999 .4820 .3644 -.2139 25 PRO 25 -.3960 999.9900 999.9900 999.9900 .9143 .2591 .3738 .0151 .1645 .2268 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .7753 .0834 -.1493 .0010 -.0616 .0204 27 GLY 27 .2494 999.9900 999.9900 999.9900 .7039 .4767 .5702 .6749 .6283 .5496 28 PHE 28 -.0970 .5902 999.9900 999.9900 -1.2178 -.2416 .6197 .5015 .5507 .0793 29 ASN 29 1.1272 -.0252 999.9900 999.9900 .1585 .4202 .4495 .1045 .2483 .3629 30 GLU 30 .0468 -1.4588 999.9900 1.1588 -.4821 -.1838 .0775 -.2853 -.1341 -.1572 31 TYR 31 .6431 .7834 999.9900 999.9900 .9193 .7819 .6106 .5802 .5929 .7073 32 PHE 32 -2.7602 -.9508 999.9900 999.9900 -2.2412 -1.9840 -.1482 .0267 -.0462 -1.2147 33 PRO 33 -.2296 999.9900 999.9900 999.9900 -.8366 -.5331 -.9881 -.0235 -.4254 -.5194 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -3.1661 -1.8047 .2620 .2271 .2416 -.7801 35 PRO 35 .0120 999.9900 999.9900 999.9900 -.4005 -.1943 .1040 .0238 .0572 -.0652 36 PHE 36 -.8715 -.4925 999.9900 999.9900 .4513 -.3042 -.0376 .1996 .1008 -.1501 37 PRO 37 .1879 999.9900 999.9900 999.9900 -.1935 -.0028 -.4882 .4047 .0327 -.0223 38 ILE 38 -1.5441 -2.1272 999.9900 999.9900 .3195 -1.1173 -.0446 .4335 .2343 -.5926 39 THR 39 .3976 999.9900 -.8810 999.9900 .2056 -.0926 -.0056 .5826 .3375 .0598 40 VAL 40 -.3909 999.9900 .8055 999.9900 .2505 .2217 -.2985 -.3962 -.3554 -.0059 41 ASP 41 -1.0681 -.5192 999.9900 999.9900 -.1266 -.5713 -.1622 .2047 .0518 -.3343 42 LEU 42 .0291 .8730 999.9900 999.9900 .7348 .5456 -1.2288 .4540 -.2472 .1724 43 LEU 43 -.1897 -1.4996 999.9900 999.9900 .5293 -.3867 -1.1832 .4360 -.2387 -.3814 44 ASP 44 -1.3478 -.5059 999.9900 999.9900 .8104 -.3478 .3673 .5008 .4452 -.0351 45 TYR 45 .3981 .4960 999.9900 999.9900 -.1498 .2481 .5483 .4632 .4986 .3511 46 SER 46 .6370 999.9900 .6576 999.9900 .2374 .5107 .3282 .4755 .4141 .4671 47 GLY 47 .8709 999.9900 999.9900 999.9900 .7185 .7947 .4131 .6251 .5309 .6569 48 ARG 48 -.5733 1.1781 999.9900 .1593 -1.7309 -.1615 -.4120 .5574 .1535 -.0946 49 SER 49 -.0741 999.9900 -.0289 999.9900 .7576 .2182 .4219 .3780 .3963 .2909 50 TRP 50 .1337 -.7344 999.9900 999.9900 .0811 -.1732 -.0588 .5020 .2683 -.0153 51 THR 51 -.2319 999.9900 .2916 999.9900 .0572 .0390 -.3635 .6346 .2187 .0776 52 VAL 52 -.1853 999.9900 -.5532 999.9900 .1378 -.2002 -.2936 .6036 .2298 -.0581 53 ARG 53 -.5160 1.1781 999.9900 2.0229 -1.7309 .5954 .2195 .4708 .3661 .5239 54 MET 54 -.3206 .1642 999.9900 .9587 -.1136 .1722 -.1031 .5322 .2675 .1863 55 LYS 55 -.3099 -2.1617 999.9900 .5131 -2.6618 -.8214 .4633 .0578 .2268 -.5123 56 LYS 56 -1.0587 .1030 999.9900 .1731 -2.0338 -.5287 -2.9103 -.6516 -1.5927 -.8865 57 ARG 57 -1.2223 .7037 999.9900 .1593 .5247 .0649 -.7103 .5111 .0022 .0179 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .4303 -.6742 -2.1749 .6041 -.6310 -.7298 59 GLU 59 -1.0629 -.2670 999.9900 -1.0323 -1.0906 -.8632 .0511 .5282 .3294 -.4789 60 LYS 60 -.8010 .8596 999.9900 .6133 .5595 .3690 .3393 .2465 .2851 .3472 61 VAL 61 .3372 999.9900 .3968 999.9900 .3827 .3722 -.6464 .6219 .0935 .2184 62 PHE 62 -.1586 .8396 999.9900 999.9900 .2172 .2994 -1.3084 .5741 -.2103 .0328 63 LEU 63 -.4065 -.5109 999.9900 999.9900 -2.5031 -1.1402 -2.7469 .1508 -1.0566 -1.2033 64 THR 64 -4.2065 999.9900 .2916 999.9900 -.8522 -1.5890 .0784 .2732 .1920 -.8831 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 -1.8525 -1.2043 .1891 .2859 .2456 -.6276 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -.9224 -1.1537 -.8122 -.0347 -.3802 -.7886 67 TRP 67 .9492 .0052 999.9900 999.9900 .4467 .4670 .2739 .4333 .3669 .4216 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 -1.8950 -1.3316 -.0137 -1.8809 -1.1029 -1.2035 69 ASN 69 1.0488 -1.5725 999.9900 999.9900 .1585 -.1217 .1953 .4562 .3475 .0573 70 PHE 70 .6259 .8308 999.9900 999.9900 .7573 .7380 .5008 .5983 .5577 .6626 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 -.2503 -.0943 .4708 .5184 .4985 .1413 72 LYS 72 .8536 .0632 999.9900 1.2407 -1.0384 .4720 .5964 .5475 .5679 .5005 73 ASP 73 .9921 -1.4542 999.9900 999.9900 -.2530 -.2383 -.0368 .6140 .3428 -.0276 74 ASN 74 -.6931 -1.0869 999.9900 999.9900 -.8850 -.8883 .4711 .5336 .5076 -.3321 75 ASN 75 -2.8943 -.3237 999.9900 999.9900 -.5831 -1.2670 -.0530 .2126 .1019 -.7283 76 LEU 76 -.1196 .8730 999.9900 999.9900 .4774 .4103 .3795 .6816 .5557 .4584 77 GLU 77 -.6240 1.0525 999.9900 -1.0323 .4218 -.0455 .3752 .5009 .4485 .1157 78 ASP 78 -.1718 -.9304 999.9900 999.9900 -.7687 -.6237 .2505 .4724 .3800 -.2296 79 GLY 79 .1517 999.9900 999.9900 999.9900 .2296 .1907 .0957 .6930 .4275 .2925 80 LYS 80 -.7292 1.2989 999.9900 1.0822 -1.2036 .3061 .5308 .4791 .5007 .3629 81 TYR 81 .4225 .8463 999.9900 999.9900 .4594 .5761 -1.4235 .5260 -.2863 .1661 82 LEU 82 -.5178 -3.3760 999.9900 999.9900 .3648 -1.1763 -1.7149 .1307 -.6383 -1.0226 83 GLN 83 -.1803 .6816 999.9900 1.3059 .3348 .5355 -.6482 .6010 .0805 .3491 84 PHE 84 -.2255 .3647 999.9900 999.9900 -.3041 -.0550 -1.3037 .5106 -.2454 -.1916 85 ILE 85 .2768 -.4893 999.9900 999.9900 -.7199 -.3108 -.4986 .0902 -.1551 -.2682 86 TYR 86 -.0287 -.3789 999.9900 999.9900 -1.9776 -.7950 .3269 .4931 .4238 -.3130 87 ASP 87 .2887 -.5059 999.9900 999.9900 -2.9873 -1.0681 .4169 .4885 .4587 -.4598 88 ARG 88 -2.9267 .1897 999.9900 .6901 -.8847 -.4483 -.2342 -.3377 -.2945 -.4019 89 ASP 89 -1.9072 -.5059 999.9900 999.9900 .6587 -.5848 -2.3267 -.4636 -1.2399 -.9089 90 ARG 90 -2.0927 -.0184 999.9900 .1593 .3956 -.2794 .4767 .5736 .5332 -.0495 91 THR 91 .1314 999.9900 .0483 999.9900 -1.3910 -.4038 .0939 .6522 .4196 -.0930 92 PHE 92 .0900 .5510 999.9900 999.9900 .4513 .3641 -.2018 .2259 .0477 .2233 93 TYR 93 .0686 -.2907 999.9900 999.9900 -.5629 -.2617 -.2875 .4505 .1430 -.1244 94 VAL 94 .3116 999.9900 -.2457 999.9900 .6959 .2539 .4817 .6728 .5932 .3833 95 ILE 95 .3408 .4983 999.9900 999.9900 -.7199 .0397 .4656 .5929 .5399 .2355 96 ILE 96 -.1408 -3.0500 999.9900 999.9900 -.7199 -1.3036 -.0616 .3194 .1607 -.7306 97 TYR 97 -.5773 -.0856 999.9900 999.9900 -.2672 -.3100 .3829 .6638 .5467 .0233 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.2785 .5074 .1581 -.5151 99 HIS 99 -1.0475 -.7214 999.9900 999.9900 .4328 -.4454 -.4147 -.1134 -.2389 -.3728 100 ASN 100 .1294 -1.2512 999.9900 999.9900 -1.3432 -.8217 .2286 .5690 .4272 -.3335 101 MET 101 -1.5488 -1.5870 999.9900 1.7963 .3104 -.2573 .1570 .1290 .1407 -.1238 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4693 -.1134 .1364 .1619 Means: -.4244 -.3010 -.0596 .5369 -.2661 -.2143 -.1084 .3543 .1607 -.0847 2.00 refined_1