1 MET 1 999.9900 .5321 999.9900 .9587 .7725 .7544 .1744 .6140 .4142 .6104 2 ALA 2 -2.0449 999.9900 999.9900 999.9900 .8152 -.6148 -.0069 .6106 .3533 -.1565 3 ASP 3 -.2689 -1.1062 999.9900 999.9900 -.4783 -.6178 -1.9729 .3255 -.6322 -.7002 4 THR 4 -2.8292 999.9900 .7650 999.9900 .2056 -.6195 -.5663 .4878 .0486 -.3874 5 GLY 5 -1.2283 999.9900 999.9900 999.9900 -.3452 -.7867 -2.1188 .6494 -.5809 -.7607 6 GLU 6 -1.8465 -.4402 999.9900 -1.0323 -.6780 -.9992 -1.2878 .1523 -.4477 -.8554 7 VAL 7 .0815 999.9900 -.2457 999.9900 .7810 .2056 -.6578 .5907 .0705 .1099 8 GLN 8 -.4791 -.4838 999.9900 1.3059 .5636 .2266 -.6520 .6022 .0796 .1428 9 PHE 9 .2406 .7639 999.9900 999.9900 1.0159 .6735 -.3511 .5097 .1510 .4358 10 MET 10 -.0824 -2.5481 999.9900 .9587 .0476 -.4061 -.3555 .5276 .1597 -.2420 11 LYS 11 -.5771 -2.9005 999.9900 1.0822 .0060 -.2614 -.1906 .2495 .0661 -.1783 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .6188 -.0524 -1.1723 .4966 -.1988 -.1951 13 PHE 13 .0490 -.4925 999.9900 999.9900 .0736 -.1233 -.7607 .4604 -.0484 -.1340 14 ILE 14 .2768 .6227 999.9900 999.9900 -1.0155 -.0387 .2790 .3188 .3022 .0963 15 SER 15 .5661 999.9900 .3727 999.9900 .5740 .5042 -.0787 .4469 .2279 .3762 16 GLU 16 .8733 .8225 999.9900 -1.0323 -.3984 .0663 .4236 .2029 .2948 .1486 17 LYS 17 -2.0221 -2.1617 999.9900 .6906 -1.6664 -.8938 .3047 -.0219 .1142 -.5980 18 SER 18 .5661 999.9900 -.7153 999.9900 .7151 .1886 .5811 .4335 .4950 .3161 19 SER 19 .8760 999.9900 -.0289 999.9900 .5215 .4562 .4753 .4523 .4619 .4592 20 LYS 20 -3.5196 .8596 999.9900 .4411 -.6710 -.4897 .5172 .2891 .3841 -.2346 21 SER 21 -.6802 999.9900 .6576 999.9900 .6705 .2160 .0506 .5262 .3280 .2449 22 LEU 22 -.2022 .8847 999.9900 999.9900 -.1229 .1865 -.2503 .0221 -.0914 .0663 23 GLU 23 -.5440 -.3402 999.9900 .3501 .0339 -.1250 -.6350 .3313 -.0713 -.1340 24 ILE 24 .3543 .6227 999.9900 999.9900 1.0081 .6617 .2553 .5329 .4172 .5547 25 PRO 25 -.4724 999.9900 999.9900 999.9900 -.1935 -.3329 .4637 .3036 .3703 .0254 26 LEU 26 .8442 -1.6805 999.9900 999.9900 .8331 -.0010 .4169 .5499 .4945 .1927 27 GLY 27 -.5009 999.9900 999.9900 999.9900 .4883 -.0063 .6185 .6570 .6399 .3157 28 PHE 28 -.5871 -.1288 999.9900 999.9900 -.3041 -.3400 .5210 .4369 .4720 -.0124 29 ASN 29 1.1678 -1.2512 999.9900 999.9900 .5588 .1585 .6211 .6757 .6530 .3545 30 GLU 30 .0468 .8332 999.9900 .3501 -.6780 .1380 -.3249 .3925 .0936 .1033 31 TYR 31 -.2520 .7834 999.9900 999.9900 .8158 .4491 .4493 -.1540 .0973 .3285 32 PHE 32 -.5261 .2821 999.9900 999.9900 -.0075 -.0838 .4555 .5068 .4854 .1422 33 PRO 33 -4.5055 999.9900 999.9900 999.9900 .5793 -1.9631 -.1035 .3410 .1558 -.9222 34 ALA 34 -.7342 999.9900 999.9900 999.9900 -.1129 -.4235 .4478 .6141 .5448 .0537 35 PRO 35 -.5836 999.9900 999.9900 999.9900 -.1050 -.3443 .4202 .6737 .5681 .1013 36 PHE 36 -1.1107 .8190 999.9900 999.9900 .6382 .1155 -.8014 .5627 -.0057 .0216 37 PRO 37 -1.9661 999.9900 999.9900 999.9900 .4021 -.7820 -.5098 .6303 .1552 -.3609 38 ILE 38 -1.4270 -.0177 999.9900 999.9900 .4912 -.3179 -.0167 .5231 .2982 -.0894 39 THR 39 .0643 999.9900 .4804 999.9900 -.2561 .0962 -.0548 .4044 .2130 .1276 40 VAL 40 -.3288 999.9900 .9747 999.9900 .6025 .4161 .0499 .1959 .1351 .2988 41 ASP 41 -.5526 -.9533 999.9900 999.9900 .6856 -.2734 .1334 .5112 .3538 -.0351 42 LEU 42 -.0536 .8730 999.9900 999.9900 .2381 .3525 -.5913 .5365 .0666 .2005 43 LEU 43 -.1196 -2.1315 999.9900 999.9900 -.2242 -.8251 -2.6219 .4439 -.8335 -.9307 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 .5431 -1.2815 .4571 .2942 .3621 -.6186 45 TYR 45 .8857 .5582 999.9900 999.9900 .7393 .7278 .5395 .4630 .4949 .6372 46 SER 46 .8760 999.9900 -.7153 999.9900 -.0193 .0471 .3510 .5547 .4698 .2094 47 GLY 47 -2.9723 999.9900 999.9900 999.9900 .8277 -1.0723 .4488 .6174 .5424 -.2696 48 ARG 48 -.5733 -2.8571 999.9900 .1593 -1.7309 -.9685 -.0049 .3413 .1970 -.6438 49 SER 49 -.2734 999.9900 -.0289 999.9900 .8922 .1966 .0414 .5734 .3518 .2410 50 TRP 50 .0682 -1.9067 999.9900 999.9900 -.4740 -.7708 -.7926 .4594 -.0622 -.5291 51 THR 51 -.3093 999.9900 .0483 999.9900 -2.7258 -.9956 .0596 .2368 .1630 -.5381 52 VAL 52 .0815 999.9900 -.5532 999.9900 .4426 -.0097 .0485 .6157 .3793 .1270 53 ARG 53 -.5383 .7037 999.9900 .7862 -.5739 .2328 .0508 .4542 .2862 .2384 54 MET 54 -.3815 .8879 999.9900 .9587 -.1136 .3379 -.3320 .3564 .0696 .2293 55 LYS 55 -.1919 1.1776 999.9900 .8416 -2.6618 .0014 .2983 .4416 .3819 .1067 56 LYS 56 -.7069 .2165 999.9900 .1140 -1.4057 -.3336 -2.6272 .1659 -.9979 -.5899 57 ARG 57 -1.4842 .6123 999.9900 .6901 .7064 .2429 .3099 .5847 .4702 .3013 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 .4101 -.3024 -.3464 .6673 .2168 -.0710 59 GLU 59 -1.0962 .6231 999.9900 -1.0323 -2.5035 -1.0022 .4725 .5626 .5251 -.4956 60 LYS 60 -.8956 -.2695 999.9900 -.4035 -.4103 -.4765 .2832 .6012 .4687 -.2140 61 VAL 61 .0764 999.9900 .3968 999.9900 -.3121 .0537 .3330 .6630 .5255 .2314 62 PHE 62 -.2058 .8160 999.9900 999.9900 .5949 .4017 -.2100 .4708 .1871 .2932 63 LEU 63 -.0792 -.2519 999.9900 999.9900 -1.2350 -.5220 .5405 .1810 .3308 -.1689 64 THR 64 -3.6133 999.9900 .8779 999.9900 -1.0006 -1.2453 .3515 .1088 .2099 -.6551 65 VAL 65 -.6396 999.9900 .1416 999.9900 -.8010 -.4330 .2959 .4422 .3813 -.1122 66 GLY 66 -1.2645 999.9900 999.9900 999.9900 -.3452 -.8048 -.0919 .3174 .1355 -.3461 67 TRP 67 .4280 .5502 999.9900 999.9900 -.1614 .2723 -.1471 .5120 .2374 .2363 68 GLU 68 .3258 .8225 999.9900 -1.0323 -.3984 -.0706 -.1724 -.0507 -.1014 -.0842 69 ASN 69 .9310 1.0524 999.9900 999.9900 .5588 .8474 .1669 .4950 .3583 .6408 70 PHE 70 .6259 -4.3038 999.9900 999.9900 .7573 -.9735 -.0695 .3032 .1479 -.5374 71 VAL 71 1.0462 999.9900 -.2457 999.9900 .6025 .4676 -.4077 .5820 .1697 .3155 72 LYS 72 .6780 .2165 999.9900 .6315 -1.0384 .2238 .4893 .4395 .4602 .2926 73 ASP 73 .2706 -.7325 999.9900 999.9900 .6310 .0564 .4340 .0769 .2257 .1360 74 ASN 74 -.0480 -.2921 999.9900 999.9900 .6279 .0960 .3796 .4167 .4012 .2168 75 ASN 75 -2.3558 .3778 999.9900 999.9900 .4442 -.5113 -.5941 .2337 -.1112 -.3788 76 LEU 76 -2.4740 -1.8410 999.9900 999.9900 -.1723 -1.4958 -.3585 .1913 -.0378 -.9309 77 GLU 77 -.9196 .7809 999.9900 -1.0323 .0814 -.2724 -.2791 .4336 .1366 -.1559 78 ASP 78 -1.1493 -.5889 999.9900 999.9900 .4469 -.4304 .4908 .5111 .5026 -.0579 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .3466 -.9731 .1152 .5332 .3474 -.3244 80 LYS 80 -.9723 1.1488 999.9900 .5131 -1.0384 .0329 .4897 .4898 .4898 .1634 81 TYR 81 .1219 -.0856 999.9900 999.9900 .6984 .2449 .5039 .5547 .5335 .3587 82 LEU 82 -.1655 .8730 999.9900 999.9900 -.0758 .2106 .2066 .4956 .3752 .2668 83 GLN 83 -.4918 .6816 999.9900 1.3059 -.1596 .3340 -.8322 .3197 -.1603 .1373 84 PHE 84 -.2457 .8308 999.9900 999.9900 .7573 .4475 .3355 .3900 .3673 .4136 85 ILE 85 -.3198 -.0414 999.9900 999.9900 -.1449 -.1687 -.1283 .6158 .3058 -.0037 86 TYR 86 .0500 -.2699 999.9900 999.9900 -.5629 -.2609 .2687 .2437 .2541 -.0541 87 ASP 87 -2.3854 -2.0928 999.9900 999.9900 -.4783 -1.6522 -.3593 -.4901 -.4356 -1.1612 88 ARG 88 -2.9267 -1.5080 999.9900 .1593 -.3418 -.8916 .3316 .6386 .5107 -.4982 89 ASP 89 -2.1057 -.4551 999.9900 999.9900 .2216 -.7797 -1.1063 .2862 -.2940 -.6319 90 ARG 90 -.8418 .8024 999.9900 .6901 .7064 .4094 -.0862 -.0110 -.0423 .2785 91 THR 91 .4874 999.9900 -.2947 999.9900 -.7236 -.1770 .3468 .4957 .4337 .0623 92 PHE 92 .2013 .2875 999.9900 999.9900 .5949 .3612 -.0626 .6267 .3395 .3296 93 TYR 93 .4225 .4149 999.9900 999.9900 -.0463 .2637 -.3460 .6746 .2493 .2240 94 VAL 94 .3372 999.9900 -1.0788 999.9900 .5776 -.0546 .0736 .5855 .3722 .0990 95 ILE 95 .4877 .2838 999.9900 999.9900 .2717 .3478 .0369 .5772 .3521 .3315 96 ILE 96 .0718 -3.0500 999.9900 999.9900 -.7199 -1.2327 -.2067 .6143 .2723 -.6581 97 TYR 97 -.6832 .8258 999.9900 999.9900 -.2672 -.0415 -.2631 .4643 .1612 .0153 98 GLY 98 -2.0431 999.9900 999.9900 999.9900 .3016 -.8708 -.1305 .5841 .2665 -.3220 99 HIS 99 -2.5191 -.9211 999.9900 999.9900 .5185 -.9739 -.0334 .6653 .3742 -.4580 100 ASN 100 -.3482 -1.5725 999.9900 999.9900 -.5831 -.8346 -.1060 .4052 .1922 -.4409 101 MET 101 -.7980 .8879 999.9900 .9587 .9122 .4902 .5897 .5755 .5814 .5210 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6346 -.1411 .1913 .2077 Means: -.5927 -.2649 .0494 .3789 -.0051 -.1901 -.0768 .4219 .2132 -.0507 2.00 refined_6