1 GLU 1 999.9900 -.6497 999.9900 -1.0323 .1264 -.5185 .5514 .4277 .4840 -.1153 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 -.4068 -1.1818 .2100 .6493 .4663 -.3761 3 GLU 3 -1.6894 1.1195 999.9900 -1.0323 -.6780 -.5700 -.1057 .3676 .1704 -.3364 4 VAL 4 .0764 999.9900 .2799 999.9900 .1768 .1777 .3040 .4499 .3891 .2574 5 HIS 5 -1.4902 -.8163 999.9900 999.9900 -.1902 -.8322 -.0690 -.6156 -.3878 -.6363 6 ASN 6 -3.4329 -.3237 999.9900 999.9900 -.5831 -1.4466 -.0649 .3957 .2038 -.8018 7 GLN 7 -1.0957 1.1250 999.9900 1.3059 -.2736 .2654 -.9159 .3608 -.1712 .0844 8 LEU 8 .0291 -1.6805 999.9900 999.9900 -2.0927 -1.2480 .1393 .6026 .4096 -.6004 9 GLU 9 -.4497 .0559 999.9900 -1.0323 -.3984 -.4561 -.0701 .1337 .0488 -.2935 10 ILE 10 .1962 .6227 999.9900 999.9900 -1.4322 -.2044 -.4388 .4158 .0597 -.1273 11 LYS 11 -.2345 -.5490 999.9900 -.0397 .1791 -.1368 -1.1720 -.1738 -.5897 -.2899 12 PHE 12 -.2457 .2875 999.9900 999.9900 .2172 .0863 -.0312 .5410 .3026 .1538 13 ARG 13 -.6502 .7158 999.9900 .6901 -.0022 .2887 -.1342 .2096 .0664 .2170 14 LEU 14 -.4282 -1.6805 999.9900 999.9900 .5787 -.5100 .2092 .5307 .3968 -.1580 15 THR 15 -.1166 999.9900 -.8810 999.9900 .4476 -.1833 .0950 .4510 .3027 -.0008 16 ASP 16 .1806 -1.5469 999.9900 999.9900 -.5661 -.6441 .6113 .6147 .6133 -.1413 17 GLY 17 .8709 999.9900 999.9900 999.9900 .6270 .7489 .0870 .6686 .4101 .5634 18 SER 18 -.6561 999.9900 .8786 999.9900 .5215 .2480 .5230 .4415 .4754 .3417 19 ASP 19 -.9954 -.9533 999.9900 999.9900 -.7687 -.9058 -.6850 .4673 -.0128 -.5870 20 ILE 20 -.4035 .6227 999.9900 999.9900 .5300 .2497 .1515 .1638 .1587 .2129 21 GLY 21 -.5849 999.9900 999.9900 999.9900 -.3452 -.4650 .6318 .4636 .5384 .0413 22 PRO 22 .4011 999.9900 999.9900 999.9900 .4021 .4016 -1.0849 .0922 -.3983 -.0474 23 LYS 23 -.3038 .8596 999.9900 .2495 -.4103 .1289 -.3210 -.0976 -.1907 .0323 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .8152 -.0063 .5429 .5796 .5643 .2775 25 PHE 25 -.0017 -.0090 999.9900 999.9900 -1.2178 -.4095 .3554 .1104 .2125 -.1525 26 PRO 26 .5449 999.9900 999.9900 999.9900 .7944 .6696 .4755 .5971 .5464 .6030 27 ASP 27 .6201 -.5192 999.9900 999.9900 .6026 .2345 .3607 .6070 .5044 .3342 28 ALA 28 -.4579 999.9900 999.9900 999.9900 .8152 .1787 .3436 .6358 .5140 .3342 29 THR 29 -.0745 999.9900 .7650 999.9900 .6112 .4339 .1377 .4020 .2919 .3683 30 THR 30 -.1761 999.9900 .4804 999.9900 .2932 .1991 .4044 .5561 .4929 .3116 31 VAL 31 .5660 999.9900 .3968 999.9900 -.3121 .2169 .5446 .6313 .5952 .3653 32 SER 32 .7360 999.9900 .3727 999.9900 .9098 .6729 .4363 .5596 .5083 .6029 33 ALA 33 -.2252 999.9900 999.9900 999.9900 -.6283 -.4268 .4730 .5776 .5340 .0493 34 LEU 34 .9913 .3419 999.9900 999.9900 .6258 .6530 .0558 .1090 .0868 .4248 35 LYS 35 .6780 1.1488 999.9900 .6177 .2547 .6634 .3819 .5151 .4596 .6020 36 GLU 36 .8733 -2.8418 999.9900 -1.0323 -.1867 -.7969 .2257 .2720 .2527 -.4483 37 THR 37 1.2375 999.9900 .6346 999.9900 .1586 .6769 .5021 .6242 .5733 .6314 38 VAL 38 .7683 999.9900 .7395 999.9900 .6959 .7346 .5858 .6134 .6019 .6806 39 ILE 39 .7069 .2838 999.9900 999.9900 .4089 .4665 .4873 .6375 .5749 .5049 40 SER 40 .7489 999.9900 -.0289 999.9900 .3088 .3429 .3886 .5230 .4670 .3881 41 GLU 41 -.5578 .6194 999.9900 -1.0323 -1.0906 -.5153 .2611 .6133 .4665 -.1978 42 TRP 42 -.2197 -1.3095 999.9900 999.9900 .9378 -.1972 .4642 .4040 .4291 .0554 43 PRO 43 -2.2066 999.9900 999.9900 999.9900 .2426 -.9820 .5561 .4592 .4996 -.2372 44 ARG 44 .3315 1.0644 999.9900 .1593 -.0022 .3425 .3855 .4877 .4451 .3693 45 GLU 45 .6833 .6046 999.9900 -1.0323 -1.2865 -.2577 .4872 .5808 .5418 .0062 46 LYS 46 -1.7715 -1.4228 999.9900 .8261 -2.0338 -.7152 -.4567 .5357 .1222 -.4996 47 GLU 47 -.5936 .8793 999.9900 -1.0323 -1.8950 -.6604 -.5496 .1653 -.1326 -.5043 48 ASN 48 -.5668 -.2921 999.9900 999.9900 -.0996 -.3195 .2218 .1786 .1966 -.1116 49 GLY 49 -.3903 999.9900 999.9900 999.9900 .8897 .2497 -.2281 .4147 .1290 .1715 50 PRO 50 -1.9661 999.9900 999.9900 999.9900 .7944 -.5859 -.3159 .5729 .2025 -.2287 51 LYS 51 -.8813 1.1634 999.9900 -.4035 -2.6618 -.6373 .1707 .5794 .4091 -.3481 52 THR 52 -.1761 999.9900 -.2947 999.9900 -.8522 -.4410 .4925 .3918 .4338 -.0877 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .6734 -.0714 -.0063 .2474 .1417 .0054 54 LYS 54 .6780 1.1488 999.9900 .3240 -2.6618 -.0374 .4615 .5710 .5254 .1208 55 GLU 55 -.8947 -.1645 999.9900 .3501 .0814 -.1569 .3154 .4836 .4135 .0285 56 VAL 56 .0482 999.9900 .8055 999.9900 -.3121 .1805 .4819 .6186 .5617 .3284 57 LYS 57 -.3286 1.1488 999.9900 .2495 .2547 .3148 .4242 .6498 .5558 .3783 58 LEU 58 -.1775 -1.8410 999.9900 999.9900 -.0308 -.6831 -.3347 .4866 .1444 -.3795 59 ILE 59 .3543 -1.6252 999.9900 999.9900 .6382 -.2109 -.0854 .6049 .3173 -.0226 60 SER 60 -.3484 999.9900 -.7153 999.9900 .7151 -.1162 .2719 .4739 .3897 .0794 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .5367 -.8363 .4328 .4570 .4469 -.1957 62 GLY 62 .6263 999.9900 999.9900 999.9900 -.0631 .2816 .3795 .6405 .5245 .3958 63 LYS 63 -.2023 .8340 999.9900 1.1681 .6340 .7204 .3735 .5370 .4689 .6446 64 VAL 64 -.4192 999.9900 -1.0788 999.9900 .6734 -.2748 .0712 .5525 .3519 -.0402 65 LEU 65 -.0411 -3.3760 999.9900 999.9900 .2713 -1.0486 -.1846 -.0746 -.1204 -.6810 66 GLU 66 -.5936 .7809 999.9900 -1.0323 .3568 -.1221 .6038 .4746 .5284 .0983 67 ASN 67 -.3482 -1.5725 999.9900 999.9900 -.2632 -.7279 .3599 .1014 .2091 -.3445 68 SER 68 .4533 999.9900 -.7153 999.9900 .6235 .1205 -.1713 .5705 .2614 .1521 69 LYS 69 -1.2016 1.2989 999.9900 -.0770 .5850 .1057 -.2655 .5741 .2243 .1196 70 THR 70 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .2384 .2009 .2165 -.0818 71 VAL 71 .3707 999.9900 .9747 999.9900 .8960 .7471 .4968 .4828 .4886 .6442 72 LYS 72 .7090 .8596 999.9900 .8261 .5595 .7561 .5195 .4646 .4874 .6806 73 ASP 73 1.1359 -2.3194 999.9900 999.9900 .5121 -.2238 .4558 .5613 .5174 .0691 74 TYR 74 -.5197 .0668 999.9900 999.9900 -1.0119 -.4883 .2374 .0226 .1121 -.2410 75 ARG 75 -.6502 -2.3766 999.9900 .1593 .4407 -.4535 -.2465 .5466 .2161 -.2811 76 SER 76 .1748 999.9900 -.7153 999.9900 .9098 .1231 -.1393 .1815 .0478 .0823 77 PRO 77 -1.5515 999.9900 999.9900 999.9900 -.1935 -.8725 .3625 .6538 .5324 -.1822 78 VAL 78 -3.2710 999.9900 -.5532 999.9900 .5776 -1.0822 -1.2309 .1378 -.4325 -.8680 79 SER 79 -3.7598 999.9900 -.0289 999.9900 .2374 -1.1838 -.0970 -.5857 -.3821 -.8468 80 ASN 80 -.6274 .3924 999.9900 999.9900 .5940 .1197 .4944 -.0907 .1531 .1525 81 LEU 81 -.5813 .5280 999.9900 999.9900 .2381 .0616 -2.2722 .4392 -.6905 -.3296 82 ALA 82 -1.6489 999.9900 999.9900 999.9900 .4999 -.5745 -.3619 .4081 .0873 -.2757 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .2782 -1.6041 -.3231 .4902 .1287 -.7603 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .4999 -.2646 -.1041 .6894 .3588 .0140 85 VAL 85 -.3682 999.9900 .8055 999.9900 -.8010 -.1212 -.2326 .5348 .2151 -.0123 86 THR 86 .4874 999.9900 .7650 999.9900 -.5087 .2479 .0682 .5186 .3310 .2661 87 THR 87 .0164 999.9900 1.1473 999.9900 .5490 .5709 -.3537 .5650 .1822 .3848 88 MET 88 -.3206 1.0862 999.9900 .9587 -.1136 .4027 -.8432 .4347 -.0977 .2004 89 HIS 89 -.2950 .4588 999.9900 999.9900 -.1902 -.0088 -.4478 .5928 .1592 .0237 90 VAL 90 -.0288 999.9900 .6672 999.9900 .2505 .2963 -1.8124 .4368 -.5004 -.0973 91 ILE 91 .0718 -.3653 999.9900 999.9900 -2.8566 -1.0501 -1.4494 .1994 -.4876 -.8800 92 ILE 92 -.1621 -.0177 999.9900 999.9900 -.7199 -.2999 -.4839 .5427 .1150 -.1682 93 GLN 93 -1.0647 .7444 999.9900 1.3059 -.5521 .1084 -.3071 .3789 .0931 .0842 94 ALA 94 -1.0292 999.9900 999.9900 999.9900 .8152 -.1070 .4925 .6875 .6063 .2415 95 PRO 95 -.9057 999.9900 999.9900 999.9900 .4021 -.2518 .3998 .4527 .4306 .0872 96 VAL 96 -.1888 999.9900 -.0276 999.9900 .5776 .1204 .3081 .4861 .4119 .2311 97 THR 97 -3.0201 999.9900 -.8810 999.9900 .1586 -1.2475 -.5122 .3339 -.0187 -.7842 98 GLU 98 -1.0962 .7809 999.9900 -1.0323 -.6780 -.5064 .0534 .3503 .2266 -.2703 99 LYS 99 -3.5196 -2.1617 999.9900 .6906 -2.0338 -1.2668 -.3022 -.5365 -.4389 -1.0246 100 GLU 100 -1.0314 -.1887 999.9900 -1.0323 -1.0906 -.8357 -.0412 .3934 .2123 -.4985 101 LYS 101 999.9900 .6560 999.9900 1.0822 999.9900 .9401 -.0147 .5811 .3257 .6774 Means: -.4708 -.1510 .0679 .1510 -.0504 -.1584 .0220 .4035 .2439 -.0155 2.00 refined_13