1 ASP 1 999.9900 -.3515 999.9900 999.9900 .5431 .0958 .6049 .5657 .5835 .3406 2 PRO 2 .5449 999.9900 999.9900 999.9900 .2426 .3938 .6863 .4735 .5622 .4868 3 ASN 3 -2.8943 -.5828 999.9900 999.9900 -.5831 -1.3534 .5631 -.0270 .2188 -.7049 4 ALA 4 -1.6489 999.9900 999.9900 999.9900 .5367 -.5561 .0490 -.0034 .0185 -.2666 5 GLU 5 -3.2255 .7809 999.9900 -1.0323 -.3984 -.9688 .3271 -.9424 -.4135 -.7485 6 PHE 6 -1.0508 -.1636 999.9900 999.9900 .5495 -.2216 -.4476 .5320 .1238 -.1161 7 ASP 7 -.3726 -1.2276 999.9900 999.9900 .5431 -.3523 .4450 .4326 .4378 -.0359 8 PRO 8 -.8137 999.9900 999.9900 999.9900 -.5244 -.6690 .1216 .4280 .3003 -.1971 9 ASP 9 -.4109 -.5059 999.9900 999.9900 .4469 -.1566 .1131 .3433 .2474 -.0027 10 LEU 10 -.7510 -1.1684 999.9900 999.9900 .9565 -.3210 .4567 .5311 .5001 .0050 11 PRO 11 -.3960 999.9900 999.9900 999.9900 -.1935 -.2948 .5252 .4839 .5011 .1049 12 GLY 12 .9290 999.9900 999.9900 999.9900 .2782 .6036 .3533 .5214 .4467 .5205 13 GLY 13 .3568 999.9900 999.9900 999.9900 -.0631 .1469 -.0533 .4170 .2080 .1644 14 GLY 14 -1.1293 999.9900 999.9900 999.9900 .6270 -.2512 .5644 .6512 .6126 .1783 15 LEU 15 .2140 -2.4128 999.9900 999.9900 .2381 -.6536 .3105 .3413 .3285 -.2618 16 HIS 16 -1.4902 1.1761 999.9900 999.9900 .5967 .0942 .3612 .1707 .2501 .1629 17 ARG 17 -.0671 1.1781 999.9900 .5548 -.4506 .3540 .1643 .6153 .4274 .3642 18 CYS 18 .0411 999.9900 .1296 999.9900 .8268 .3325 -.1079 .3602 .1652 .2500 19 LEU 19 .8475 .8730 999.9900 999.9900 .7753 .8319 .2343 .6300 .4651 .6720 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .4617 .1752 .5638 .5930 .5808 .3768 21 CYS 21 -1.3337 999.9900 .1296 999.9900 .2612 -.3143 .4107 .4061 .4080 -.0252 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.8374 -1.2813 .5623 .4697 .5083 -.3827 23 ARG 23 -.7709 1.0644 999.9900 .7862 -1.7309 .0270 -.7717 .4617 -.0522 -.0250 24 TYR 24 -.0390 .3309 999.9900 999.9900 -.1498 .0474 -1.6390 -.0260 -.6981 -.3046 25 PHE 25 .2013 .5589 999.9900 999.9900 -.0075 .2509 .2039 .5858 .4267 .3085 26 ILE 26 .7958 -2.2551 999.9900 999.9900 .1689 -.4301 .4059 .6013 .5199 -.0566 27 ASP 27 -1.7533 -2.8653 999.9900 999.9900 -1.8780 -2.1655 -.1466 .3159 .1231 -1.2655 28 SER 28 .7360 999.9900 -.7153 999.9900 -.1244 -.0346 .5357 .0273 .2391 .0919 29 THR 29 .8449 999.9900 .2916 999.9900 -.6102 .1754 .5397 .4740 .5014 .3080 30 ASN 30 1.3908 -.0024 999.9900 999.9900 .8607 .7497 .3426 .6509 .5225 .6485 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .0933 -.6255 -1.0075 .0333 -.4003 -.5701 32 LYS 32 1.0429 .7114 999.9900 .5761 .6576 .7128 .5805 .0863 .2922 .6044 33 THR 33 .8748 999.9900 -.8810 999.9900 .6112 .2016 .3289 .4994 .4284 .2867 34 HIS 34 .4792 -.1773 999.9900 999.9900 .5967 .2995 .0430 -.0367 -.0035 .1810 35 PHE 35 -.3437 -.7766 999.9900 999.9900 .3981 -.2408 .5566 -.2840 .0662 -.0899 36 ARG 36 .3315 .1080 999.9900 .7862 .2455 .4515 -.2405 .5360 .2124 .3647 37 SER 37 -2.3021 999.9900 -.7153 999.9900 .7982 -.7397 -.4281 .4951 .1104 -.4304 38 LYS 38 .4938 1.1776 999.9900 .4411 .7872 .6682 -.2306 .2677 .0601 .4826 39 ASP 39 1.1359 -.5059 999.9900 999.9900 .5431 .3910 .2959 .6127 .4807 .4164 40 HIS 40 .6603 -.7214 999.9900 999.9900 -1.6368 -.5660 -2.5599 .2596 -.9152 -.7996 41 LYS 41 .6780 .5574 999.9900 .4411 -2.6618 -.1088 -1.0241 -.4565 -.6930 -.2892 42 LYS 42 1.2214 .4083 999.9900 .4996 -.2082 .4842 .3214 .5446 .4516 .4695 43 ARG 43 .6655 -2.8571 999.9900 .7862 .7064 .0174 .3014 .3188 .3115 .1010 44 LEU 44 .6509 .5402 999.9900 999.9900 -.7775 .1379 .2341 .6302 .4652 .2556 45 LYS 45 .8536 .8340 999.9900 .3240 -.4892 .3693 .4481 .6256 .5516 .4172 46 GLN 46 .9732 .4660 999.9900 1.3059 .2680 .7533 .4580 .2808 .3546 .6253 47 LEU 47 .2140 -1.4036 999.9900 999.9900 .7348 -.1516 .0874 -.0220 .0236 -.0779 48 SER 48 -3.2405 999.9900 .3727 999.9900 -.7427 -1.2035 -.5770 .2421 -.0992 -.7891 49 VAL 49 -.2954 999.9900 .6672 999.9900 -1.1891 -.2724 .3878 .3472 .3641 -.0165 50 GLU 50 -.3890 .8034 999.9900 -1.0323 .7127 .0237 .6025 .3002 .4261 .1662 51 PRO 51 -3.0630 999.9900 999.9900 999.9900 -.5244 -1.7937 .6217 .5855 .6006 -.5951 52 TYR 52 -2.3553 .8376 999.9900 999.9900 -.0463 -.5214 -.0889 .3454 .1644 -.2615 53 SER 53 -1.6828 999.9900 -.7153 999.9900 .1597 -.7461 .0361 .3805 .2370 -.3644 54 GLN 54 -3.1236 .6315 999.9900 1.3059 .5113 -.1688 -.3706 .0729 -.1119 -.1621 55 GLU 55 -3.2255 1.1195 999.9900 -1.0323 -2.5035 -1.4105 .4083 -.1528 .0810 -.8977 56 GLU 56 .8171 -.2267 999.9900 -1.0323 .3223 -.0299 -.0436 .0599 .0168 -.0172 57 ALA 57 -.5138 999.9900 999.9900 999.9900 .8416 .1639 -.5324 -.3131 -.4045 -.1294 58 GLU 58 .8171 .7809 999.9900 -1.0323 -.1867 .0947 .3682 .4022 .3880 .1916 59 ARG 59 -2.9267 -2.0954 999.9900 .5548 .0662 -.7693 -.8500 .0660 -.3156 -.6615 60 ALA 60 -2.0946 999.9900 999.9900 999.9900 .6550 -.7198 .3506 .5609 .4733 -.1320 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .0817 -1.6915 -.4413 .2008 -.0667 -.9058 62 GLY 62 -.4374 999.9900 999.9900 999.9900 .7039 .1332 .0014 .5928 .3299 .2152 63 MET 63 -.9371 .5321 999.9900 .9587 .0476 .1503 .1158 .6597 .4331 .2295 64 GLY 64 -2.6716 999.9900 999.9900 999.9900 .8277 -.9219 .0270 .7031 .4026 -.2784 65 SER 65 -.4771 999.9900 -.0289 999.9900 .3749 -.0437 .1078 .5089 .3418 .0971 66 TYR 66 .3730 -.1729 999.9900 999.9900 .7784 .3262 .2810 .6658 .5055 .3850 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .0626 -.0265 .0117 -.3476 Means: -.5131 -.1942 -.2313 .3539 .0442 -.1471 .0717 .3197 .2158 -.0129 2.00 refined_10