1 ASP 1 999.9900 -.7325 999.9900 999.9900 -.1266 -.4295 .3872 .3225 .3519 -.0373 2 PRO 2 -5.1268 999.9900 999.9900 999.9900 .4021 -2.3624 .1725 .2359 .2095 -1.0791 3 ASN 3 .2469 .3924 999.9900 999.9900 .4024 .3472 .5291 .5498 .5412 .4241 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 -.3587 -1.9117 .1236 -.4852 -.2316 -1.0463 5 GLU 5 -1.0629 1.0525 999.9900 -1.0323 .3223 -.1801 -.1182 .2163 .0769 -.1037 6 PHE 6 -.5560 .5747 999.9900 999.9900 -.3041 -.0951 -.0935 .4094 .1999 .0061 7 ASP 7 -.9509 -1.7105 999.9900 999.9900 .2628 -.7995 .5313 -.2621 .0685 -.4259 8 PRO 8 .4523 999.9900 999.9900 999.9900 .6188 .5355 .5826 .4355 .4968 .5223 9 ASP 9 -.2149 -.3515 999.9900 999.9900 -.1266 -.2310 .2203 .5345 .4036 .0124 10 LEU 10 -1.8089 -3.3760 999.9900 999.9900 -3.2047 -2.7965 -.4278 -1.0282 -.7780 -1.9691 11 PRO 11 -.5342 999.9900 999.9900 999.9900 -1.0436 -.7889 -1.0237 .1160 -.3589 -.6214 12 GLY 12 -1.3851 999.9900 999.9900 999.9900 -.8367 -1.1109 -.2740 .2765 .0318 -.5548 13 GLY 13 .3568 999.9900 999.9900 999.9900 -1.1231 -.3831 .3314 .2894 .3080 -.0364 14 GLY 14 -1.0150 999.9900 999.9900 999.9900 .0951 -.4599 -.1617 .5539 .2359 -.1319 15 LEU 15 -.6576 -1.9410 999.9900 999.9900 -.4635 -1.0207 .0873 -.0701 -.0045 -.6090 16 HIS 16 -1.9498 .7452 999.9900 999.9900 .5185 -.2287 -.7847 -.3790 -.5480 -.3700 17 ARG 17 -.0671 1.0644 999.9900 1.0856 -1.7309 .2875 -2.2229 .2532 -.7785 -.0760 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 -1.1428 .0893 -.4241 -.5328 19 LEU 19 .8475 .8730 999.9900 999.9900 .7139 .8115 -.0382 .5060 .2792 .5804 20 ALA 20 -.1113 999.9900 999.9900 999.9900 -1.1070 -.6092 .5049 .5106 .5082 -.0507 21 CYS 21 -.9252 999.9900 1.2918 999.9900 -1.7809 -.4714 .5885 .3696 .4608 -.0913 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .4617 -.6318 .2271 .5397 .4095 -.1242 23 ARG 23 -.5614 .6123 999.9900 .5548 .3956 .3112 .1477 .6118 .4184 .3308 24 TYR 24 -.0287 -.3674 999.9900 999.9900 .8517 .1519 -1.4946 .2420 -.4816 -.1594 25 PHE 25 .0966 .5589 999.9900 999.9900 -2.2412 -.5285 -.1638 .3967 .1631 -.2705 26 ILE 26 .4667 .1020 999.9900 999.9900 .4912 .3533 .0025 .5736 .3356 .3272 27 ASP 27 -.9091 -.8657 999.9900 999.9900 .5733 -.4005 .3067 .5803 .4663 -.0629 28 SER 28 .9506 999.9900 .3727 999.9900 .5215 .6149 .2889 .4401 .3771 .5148 29 THR 29 .8449 999.9900 -.8810 999.9900 .5490 .1710 .6579 .6344 .6442 .3610 30 ASN 30 1.1272 -.2921 999.9900 999.9900 .5588 .4647 .2441 .5202 .4051 .4316 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .3942 -.6635 -.4505 .1025 -.1279 -.4677 32 LYS 32 1.2214 .9683 999.9900 .3240 -.4103 .4855 .5559 .5895 .5755 .5104 33 THR 33 .8748 999.9900 .7650 999.9900 -.3332 .4355 .5347 .6144 .5812 .4911 34 HIS 34 .4792 -.1773 999.9900 999.9900 .5185 .2734 .0973 .1792 .1451 .2194 35 PHE 35 -.3437 -.6612 999.9900 999.9900 .2172 -.2626 .2419 -.2681 -.0556 -.1628 36 ARG 36 -1.0952 1.0644 999.9900 1.4811 -2.3710 .1120 .4238 .3145 .3600 .1855 37 SER 37 -1.1405 999.9900 -.7153 999.9900 -1.1621 -1.0060 -.2020 .1771 .0192 -.6085 38 LYS 38 1.2214 .1550 999.9900 .4405 .1791 .4873 .6660 .4404 .5344 .5062 39 ASP 39 1.1359 -.8657 999.9900 999.9900 -.1878 .0275 -.2506 .5310 .2054 .0726 40 HIS 40 .6603 -.9211 999.9900 999.9900 -.6493 -.3034 -2.2871 .4616 -.6837 -.5471 41 LYS 41 .6780 .6560 999.9900 .3240 -2.0338 -.0103 -.6446 .1444 -.1843 -.0788 42 LYS 42 1.0838 -.1469 999.9900 -.4035 .1791 .0618 .3812 .6116 .5156 .1860 43 ARG 43 1.1353 -2.8571 999.9900 .1593 .4407 -.1925 .2628 .2323 .2450 -.0668 44 LEU 44 .8442 -.8335 999.9900 999.9900 .2381 .0830 .4534 .6156 .5480 .2636 45 LYS 45 .4938 .7597 999.9900 -.4035 -.4892 -.0085 .5458 .3646 .4401 .1240 46 GLN 46 .9013 .4660 999.9900 1.3059 .5636 .8092 .0283 .6615 .3977 .6544 47 LEU 47 .8475 .8730 999.9900 999.9900 .3346 .6850 -.5641 .4653 .0364 .3913 48 SER 48 -1.8383 999.9900 .3727 999.9900 -.6377 -.7011 .1529 .5443 .3812 -.2812 49 VAL 49 -1.0844 999.9900 .2799 999.9900 -.1376 -.3140 .4412 .5325 .4945 .0063 50 GLU 50 -1.9096 -.1645 999.9900 -1.0323 .4218 -.6712 .4207 .3372 .3720 -.3211 51 PRO 51 -2.7614 999.9900 999.9900 999.9900 .1187 -1.3214 .2612 .2971 .2821 -.5211 52 TYR 52 -3.6999 .0164 999.9900 999.9900 .3421 -1.1138 .0981 .4973 .3310 -.5492 53 SER 53 -.2734 999.9900 .6576 999.9900 .5215 .3019 .1708 .4095 .3100 .2972 54 GLN 54 -1.4152 .6267 999.9900 1.3059 -2.2865 -.4423 .1560 .2955 .2374 -.2196 55 GLU 55 -2.8104 -.6497 999.9900 -1.0323 -.6780 -1.2926 .3359 -.5623 -.1881 -.8995 56 GLU 56 -3.2255 -.2670 999.9900 -1.0323 .3899 -1.0338 -.1168 -1.0015 -.6329 -.8756 57 ALA 57 -2.2093 999.9900 999.9900 999.9900 .4419 -.8837 -.4708 -.1687 -.2946 -.6017 58 GLU 58 -1.5650 .8225 999.9900 -1.0323 -.7952 -.6425 .1228 -.7376 -.3791 -.5308 59 ARG 59 -1.5415 .3075 999.9900 .5548 -.1565 -.0562 -.1913 -.2047 -.1991 -.0967 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .7881 -1.3383 .3398 .6826 .5398 -.4135 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .3365 -.9364 .1496 .5409 .3779 -.2956 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .3466 .0862 .1085 .5222 .3383 .2008 63 MET 63 -.9371 -2.5481 999.9900 .9587 .6113 -.4788 -.3061 .1934 -.0147 -.3380 64 GLY 64 -2.2927 999.9900 999.9900 999.9900 .6270 -.8329 -.2545 .6688 .2584 -.3129 65 SER 65 .2130 999.9900 -.0289 999.9900 .8922 .3588 .0743 .5484 .3508 .3398 66 TYR 66 .2641 .7421 999.9900 999.9900 .8158 .6073 -.1951 .6520 .2991 .4558 67 VAL 67 999.9900 999.9900 .5873 999.9900 999.9900 .5873 .3452 .5193 .4447 .4839 Means: -.6242 -.2359 .2574 .2372 -.1682 -.2458 -.0101 .2747 .1554 -.0976 2.00 refined_14