1 ASP 1 999.9900 -.7325 999.9900 999.9900 .2628 -.2348 .4496 .1145 .2668 .0236 2 PRO 2 -5.1268 999.9900 999.9900 999.9900 -.1935 -2.6601 .3464 .3074 .3237 -1.1666 3 ASN 3 .1373 -.3237 999.9900 999.9900 .3127 .0421 .3990 .5495 .4868 .2149 4 ALA 4 -1.7824 999.9900 999.9900 999.9900 -1.6579 -1.7201 .1799 .3110 .2564 -.7373 5 GLU 5 .4426 -.3719 999.9900 -1.0323 .6899 -.0679 -.0855 .0612 .0001 -.0493 6 PHE 6 .0966 .1164 999.9900 999.9900 -1.2178 -.3349 -.2743 -.1341 -.1925 -.2826 7 ASP 7 -.3017 -1.1646 999.9900 999.9900 -1.3622 -.9428 .6310 .0144 .2713 -.4366 8 PRO 8 .4523 999.9900 999.9900 999.9900 .8563 .6543 .5618 .2630 .3875 .5333 9 ASP 9 -.2149 -.5059 999.9900 999.9900 .8104 .0299 -.3733 .4412 .1018 .0315 10 LEU 10 -.1836 -1.1684 999.9900 999.9900 .4227 -.3098 .4766 .4612 .4676 .0017 11 PRO 11 .0321 999.9900 999.9900 999.9900 .8563 .4442 .6180 .4791 .5370 .4964 12 GLY 12 .9290 999.9900 999.9900 999.9900 .7185 .8238 .2700 .5273 .4129 .6112 13 GLY 13 .5072 999.9900 999.9900 999.9900 -1.0172 -.2550 -.0524 .5567 .2860 -.0014 14 GLY 14 .8169 999.9900 999.9900 999.9900 .0951 .4560 .4507 .6306 .5506 .4983 15 LEU 15 -.5648 .8730 999.9900 999.9900 .2713 .1932 .0541 .5330 .3335 .2333 16 HIS 16 -1.1973 .8438 999.9900 999.9900 .6686 .1050 -.9906 .5016 -.1202 -.0348 17 ARG 17 -.0671 .7735 999.9900 .9503 -2.3710 .0472 -2.4573 -.0134 -1.0317 -.3192 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 -.1349 .0568 -.0231 -.0467 19 LEU 19 .8475 .8730 999.9900 999.9900 .7949 .8385 .2528 .6494 .4841 .6835 20 ALA 20 .3573 999.9900 999.9900 999.9900 .4617 .4095 .6346 .6657 .6527 .5298 21 CYS 21 -.8048 999.9900 1.2918 999.9900 .5249 .3373 .5581 .2279 .3655 .3596 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.1129 -.9190 .3769 .5015 .4496 -.2399 23 ARG 23 -.5614 -1.6149 999.9900 1.4811 .7064 .2984 -.7607 -.0876 -.3681 .0920 24 TYR 24 -.0287 -.4024 999.9900 999.9900 .2066 -.0748 -1.2900 .1033 -.4773 -.2822 25 PHE 25 -.0244 -.4548 999.9900 999.9900 -.1944 -.2246 .3775 .5265 .4644 .0460 26 ILE 26 .4667 -.0177 999.9900 999.9900 -1.0155 -.1889 -.0565 .4655 .2480 -.0315 27 ASP 27 -.6293 -.7325 999.9900 999.9900 .7866 -.1917 .5129 .3364 .4099 .0548 28 SER 28 .8760 999.9900 -.0289 999.9900 -.6377 .0698 .6332 .5661 .5941 .2818 29 THR 29 .8748 999.9900 .6346 999.9900 .1092 .5395 .2874 .5769 .4562 .4966 30 ASN 30 1.0488 .3924 999.9900 999.9900 -1.3432 .0326 .3029 .6215 .4888 .2045 31 LEU 31 .2902 -1.5262 999.9900 999.9900 .7139 -.1740 -1.9209 .4175 -.5568 -.4051 32 LYS 32 1.0429 .8596 999.9900 .9771 -.4892 .6735 .5612 .6470 .6113 .6537 33 THR 33 1.2375 999.9900 1.4642 999.9900 -.2561 .8152 .4754 .5907 .5427 .7023 34 HIS 34 1.4298 -.5551 999.9900 999.9900 .5967 .4904 .1347 .5401 .3712 .4292 35 PHE 35 -.9688 -.0015 999.9900 999.9900 -.9498 -.6400 .4860 -.0306 .1847 -.2929 36 ARG 36 -.0882 -.2995 999.9900 .1593 -2.3710 -.4880 .5107 .0418 .2372 -.2696 37 SER 37 -3.7598 999.9900 .3727 999.9900 -1.3611 -1.5827 -.5333 .3031 -.0454 -.9957 38 LYS 38 .6780 .7597 999.9900 1.3578 .2547 .8816 .1568 .3992 .2982 .7091 39 ASP 39 .8349 -1.3328 999.9900 999.9900 .6856 .0626 .2417 .4587 .3683 .1776 40 HIS 40 .0007 .5126 999.9900 999.9900 .4328 .3154 -.2801 .6261 .2485 .2584 41 LYS 41 .9480 1.1488 999.9900 -.4035 -2.0338 -.1488 .1909 .5973 .4279 .0063 42 LYS 42 .9451 .3079 999.9900 .6906 -.1497 .4969 .2949 .5554 .4469 .4764 43 ARG 43 1.1353 -.7463 999.9900 .1593 .7064 .2828 .4385 .6275 .5488 .3543 44 LEU 44 .6509 -.8335 999.9900 999.9900 .7753 .1975 -.0601 .6060 .3285 .2277 45 LYS 45 .3654 .5334 999.9900 -.0770 -.4892 .0511 .3853 .4825 .4420 .1605 46 GLN 46 .7370 .5350 999.9900 1.3059 .2680 .7115 .6387 .5099 .5636 .6657 47 LEU 47 -.0169 .8847 999.9900 999.9900 .6258 .4979 -.3687 .3698 .0621 .2990 48 SER 48 -1.8383 999.9900 -.7153 999.9900 -.8619 -1.1385 .3701 .4419 .4120 -.5207 49 VAL 49 -2.8391 999.9900 -.0276 999.9900 -.8010 -1.2226 .3381 .6399 .5142 -.5379 50 GLU 50 -1.0962 -.0067 999.9900 -1.0323 -.1867 -.5805 .3967 .2408 .3058 -.2807 51 PRO 51 -5.1268 999.9900 999.9900 999.9900 -1.6867 -3.4068 .5105 -.1006 .1540 -1.6009 52 TYR 52 -3.6999 .3463 999.9900 999.9900 .8517 -.8339 -1.1566 -.6545 -.8637 -.8626 53 SER 53 -.3889 999.9900 -.7153 999.9900 .7151 -.1297 -3.9283 .0384 -1.6144 -.8558 54 GLN 54 -2.6620 .6315 999.9900 1.3059 .0346 -.1725 -.1745 -.5874 -.4154 -.2420 55 GLU 55 -3.2255 -.2267 999.9900 -1.0323 -2.5035 -1.7470 .1747 -.3766 -.1469 -1.1983 56 GLU 56 -2.5676 .0644 999.9900 -1.0323 -1.8950 -1.3576 -.0565 -.1900 -.1343 -.9462 57 ALA 57 -3.4646 999.9900 999.9900 999.9900 -.7624 -2.1135 .3938 .0912 .2173 -.9355 58 GLU 58 -1.0629 .8034 999.9900 -1.0323 -.4821 -.4435 .0741 .2504 .1769 -.2416 59 ARG 59 -1.4318 1.1699 999.9900 .7862 .1299 .2881 .2241 .1807 .1988 .2636 60 ALA 60 -2.1491 999.9900 999.9900 999.9900 .5367 -.8062 -.1641 .3966 .1630 -.3450 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .8018 -1.3314 .5317 .6988 .6292 -.3581 62 GLY 62 -2.9723 999.9900 999.9900 999.9900 .7039 -1.1342 .0667 .6916 .4139 -.3775 63 MET 63 -.3206 -1.5870 999.9900 1.7963 .6113 .1250 .1783 .5419 .3904 .2034 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .0162 .6869 .3888 -.4734 65 SER 65 -.4317 999.9900 -.7153 999.9900 .5991 -.1826 .4405 .5908 .5282 .0967 66 TYR 66 -3.6999 .6919 999.9900 999.9900 .6556 -.7842 .1897 .1065 .1412 -.4113 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.0009 .0312 .0175 -.3495 Means: -.7039 -.0362 .0556 .4075 -.1149 -.2028 .0232 .3286 .2007 -.0546 2.00 refined_13