1 ASP 1 999.9900 -.7325 999.9900 999.9900 .8104 .0389 .1692 .2689 .2236 .1290 2 PRO 2 -1.0642 999.9900 999.9900 999.9900 -1.3105 -1.1874 .5043 -.2379 .0713 -.5271 3 ASN 3 -3.4329 -.5828 999.9900 999.9900 .3127 -1.2343 -.6068 -.2061 -.3731 -.9032 4 ALA 4 -2.3529 999.9900 999.9900 999.9900 .0212 -1.1658 .0691 .4541 .2937 -.4521 5 GLU 5 .3258 -.2670 999.9900 1.1588 .2865 .3760 -.3373 .2603 .0113 .2378 6 PHE 6 -.2770 -.4187 999.9900 999.9900 -.0075 -.2344 -.2454 .3103 .0788 -.1276 7 ASP 7 -.4515 -1.4542 999.9900 999.9900 -.0689 -.6582 .6806 .4519 .5472 -.1684 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .5793 .2148 .3219 .5972 .4825 .3372 9 ASP 9 -.2149 -.5059 999.9900 999.9900 -1.1781 -.6330 .3405 .5321 .4522 -.2053 10 LEU 10 -.2246 -1.1113 999.9900 999.9900 -.0758 -.4706 .5974 .2994 .4236 -.1030 11 PRO 11 -2.2783 999.9900 999.9900 999.9900 -.0243 -1.1513 .6604 .3809 .4973 -.3153 12 GLY 12 .5273 999.9900 999.9900 999.9900 .3016 .4145 .5107 .5669 .5419 .4766 13 GLY 13 -.0138 999.9900 999.9900 999.9900 -.3938 -.2038 .5393 .5168 .5268 .1621 14 GLY 14 .3568 999.9900 999.9900 999.9900 .4101 .3835 .2525 .6692 .4840 .4222 15 LEU 15 -.7230 .8730 999.9900 999.9900 .4774 .2091 -.3120 .5669 .2007 .1765 16 HIS 16 -1.0475 1.1064 999.9900 999.9900 -1.6368 -.5260 -1.5929 .3530 -.4578 -.5635 17 ARG 17 -.3294 -.4122 999.9900 .9503 -2.3710 -.2424 -1.5195 .2723 -.4743 -.3513 18 CYS 18 .0411 999.9900 .1296 999.9900 -.0920 .0263 .0135 .3886 .2323 .0962 19 LEU 19 .8475 .8730 999.9900 999.9900 .8331 .8512 .4187 .6310 .5426 .7207 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .6227 .2565 .6315 .5986 .6123 .4358 21 CYS 21 -.8048 999.9900 1.5962 999.9900 .7355 .5089 .5238 .3942 .4482 .4890 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0105 -1.1099 .4704 .5065 .4915 -.3107 23 ARG 23 -.5614 1.0644 999.9900 .1593 .5247 .2693 .0247 .6431 .3855 .2877 24 TYR 24 .0406 .1211 999.9900 999.9900 .6556 .2724 -.9246 .4493 -.1231 .0684 25 PHE 25 .1161 .0765 999.9900 999.9900 -.0075 .0617 .3493 .6383 .5179 .2346 26 ILE 26 .2963 -.1544 999.9900 999.9900 .4509 .1976 .3722 .6282 .5216 .3186 27 ASP 27 -1.1787 -2.4630 999.9900 999.9900 .6310 -1.0036 .2869 .5512 .4411 -.4345 28 SER 28 .8349 999.9900 -.7153 999.9900 .5215 .2137 .5682 .3259 .4268 .3070 29 THR 29 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .5895 .6381 .6179 .4063 30 ASN 30 1.3908 -.4258 999.9900 999.9900 .5940 .5197 -.0973 .5675 .2905 .4059 31 LEU 31 .9913 -3.3760 999.9900 999.9900 -.1229 -.8359 -.6636 .1296 -.2009 -.6083 32 LYS 32 1.2214 1.1488 999.9900 1.5719 -.5755 .9877 .5228 .6082 .5726 .8671 33 THR 33 .8748 999.9900 .8779 999.9900 .1092 .6207 -.1251 .4949 .2366 .4464 34 HIS 34 .4898 .6357 999.9900 999.9900 .5185 .5480 -.6655 -.1439 -.3612 .1669 35 PHE 35 -.5560 -.7766 999.9900 999.9900 .1482 -.3948 .4245 -.8162 -.2992 -.3152 36 ARG 36 -.1045 -.0419 999.9900 1.0856 -1.7309 .0588 .6330 .1771 .3671 .1577 37 SER 37 -2.3021 999.9900 -.7153 999.9900 -.3810 -1.1328 -.1079 .4356 .2092 -.6141 38 LYS 38 .7090 .8340 999.9900 .3240 .7669 .5916 .5236 .4685 .4914 .5643 39 ASP 39 1.1359 -.5059 999.9900 999.9900 .0868 .2389 .4037 .4136 .4095 .3068 40 HIS 40 .6603 -.9211 999.9900 999.9900 -1.6368 -.6325 -2.4394 .5195 -.7134 -.7635 41 LYS 41 .6780 .5574 999.9900 .4411 -2.6618 -.1088 -.1729 -.0334 -.0915 -.1072 42 LYS 42 1.2214 .3079 999.9900 .1731 .6340 .5019 .1204 .5098 .3476 .4485 43 ARG 43 .6041 -.2334 999.9900 .1593 .4407 .2260 -.0943 .6522 .3412 .2411 44 LEU 44 1.1349 -1.0469 999.9900 999.9900 -.1229 -.0117 .5351 .3641 .4353 .1728 45 LYS 45 .8536 .7114 999.9900 .6506 .2547 .6242 .6263 .4502 .5236 .5996 46 GLN 46 1.2265 -2.6982 999.9900 2.7911 .2680 .3969 .2055 -.1970 -.0293 .2660 47 LEU 47 .8475 .8847 999.9900 999.9900 .9565 .8962 -.2042 .5268 .2222 .6023 48 SER 48 -1.8983 999.9900 .3727 999.9900 .7781 -.2491 .2405 .6636 .4873 .0313 49 VAL 49 -1.0844 999.9900 -1.0788 999.9900 .5258 -.5458 .2214 .6130 .4498 -.1606 50 GLU 50 -.3942 -.6497 999.9900 1.1588 .0339 .0372 -.0103 -.2559 -.1536 -.0196 51 PRO 51 -3.1574 999.9900 999.9900 999.9900 .6188 -1.2693 -.4574 .6117 .1663 -.5961 52 TYR 52 -.5773 -.5304 999.9900 999.9900 .6556 -.1507 -.0994 .4921 .2457 -.0119 53 SER 53 -.5665 999.9900 -.0289 999.9900 -.8619 -.4858 -2.8368 .3920 -.9534 -.7804 54 GLN 54 -2.6620 .6816 999.9900 1.3059 -1.6155 -.5725 -.2350 -.0371 -.1196 -.4270 55 GLU 55 -3.2255 -2.8418 999.9900 -1.0323 -1.2865 -2.0965 .2355 -.3666 -.1157 -1.4195 56 GLU 56 -1.0629 .8034 999.9900 -1.0323 .0339 -.3145 .4803 .4157 .4426 -.0603 57 ALA 57 -.8812 999.9900 999.9900 999.9900 -.1879 -.5345 .4384 .5073 .4786 -.0308 58 GLU 58 -3.2255 .7809 999.9900 -1.0323 .7566 -.6801 -.3004 -.3430 -.3253 -.5606 59 ARG 59 -.0990 -.0184 999.9900 1.4811 .5247 .6739 -.0969 .5756 .2954 .5497 60 ALA 60 -.6134 999.9900 999.9900 999.9900 .5367 -.0384 .1278 .6076 .4077 .1647 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .4012 -1.5317 .5228 -.0760 .1735 -.6542 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .0951 -1.6956 .5889 .3352 .4480 -.6168 63 MET 63 -1.8017 -2.5481 999.9900 .9587 .8447 -.6366 -.1473 .5133 .2380 -.3634 64 GLY 64 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 -.6727 .6604 .0679 -.4739 65 SER 65 -.1368 999.9900 -.0289 999.9900 .7151 .1831 -.3527 .5502 .1740 .1494 66 TYR 66 -.6181 .2884 999.9900 999.9900 .7784 .1496 .4091 .1763 .2733 .2068 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.9483 -1.2834 -1.1397 -1.1035 Means: -.5131 -.3163 -.1410 .6525 .0474 -.1255 .0004 .3393 .1973 -.0123 2.00 refined_9