1 ASP 1 999.9900 -1.3328 999.9900 999.9900 .7118 -.3105 .5253 .4640 .4919 .0921 2 PRO 2 .5449 999.9900 999.9900 999.9900 .4949 .5199 .6406 .4689 .5404 .5373 3 ASN 3 -3.4329 -.5828 999.9900 999.9900 -.0278 -1.3478 .1741 -.1707 -.0271 -.8080 4 ALA 4 -1.6032 999.9900 999.9900 999.9900 .3801 -.6115 .0075 .0586 .0373 -.2892 5 GLU 5 -3.2255 .7809 999.9900 -1.0323 1.0761 -.6002 .4064 -.1472 .0835 -.3569 6 PHE 6 -.4833 -.6014 999.9900 999.9900 .7193 -.1218 -.7243 .5969 .0464 -.0985 7 ASP 7 -.0565 -1.1646 999.9900 999.9900 -.4783 -.5665 .4015 .3595 .3770 -.1877 8 PRO 8 -.8137 999.9900 999.9900 999.9900 .7618 -.0259 .3786 .5633 .4863 .2225 9 ASP 9 -.5773 -.2599 999.9900 999.9900 .5121 -.1084 .1416 .6255 .4239 .0884 10 LEU 10 -.2787 .5280 999.9900 999.9900 .7753 .3415 .4972 .4821 .4884 .4008 11 PRO 11 -.2296 999.9900 999.9900 999.9900 -.0243 -.1269 .4171 .5374 .4872 .1751 12 GLY 12 .8874 999.9900 999.9900 999.9900 .6890 .7882 .4672 .5418 .5086 .6463 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.6865 .0652 .5589 .4199 .4817 .2773 14 GLY 14 .8169 999.9900 999.9900 999.9900 .8277 .8223 .2900 .5982 .4613 .6332 15 LEU 15 -.8032 .8730 999.9900 999.9900 .2381 .1027 -.1700 .6664 .3179 .1609 16 HIS 16 -1.4902 .3100 999.9900 999.9900 .5967 -.1945 -.9572 .3220 -.2110 -.2438 17 ARG 17 -.3294 -.5468 999.9900 .5548 -2.3710 -.4275 -1.4911 .6304 -.2536 -.4283 18 CYS 18 -.0684 999.9900 .1296 999.9900 -1.7809 -.5732 -.4703 .1978 -.0806 -.3984 19 LEU 19 .8475 .8730 999.9900 999.9900 .5787 .7664 .1852 .5142 .3771 .5997 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .8416 .3652 .4902 .5673 .5352 .4470 21 CYS 21 -1.3337 999.9900 .1296 999.9900 .8268 -.1257 .2572 .2901 .2764 .0340 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .6550 -.5351 .6079 .4092 .4920 -.0133 23 ARG 23 -.6502 .0264 999.9900 1.0005 -.4506 .1853 -1.1175 .4597 -.1975 .0384 24 TYR 24 .0406 .2608 999.9900 999.9900 -.2672 .0114 -1.9293 .0535 -.7727 -.3683 25 PHE 25 -.0244 .5589 999.9900 999.9900 .7573 .4306 .3406 .5662 .4722 .4397 26 ILE 26 -.4035 -.0414 999.9900 999.9900 -.7199 -.3883 -.0716 .1723 .0707 -.2128 27 ASP 27 -.9954 -.5059 999.9900 999.9900 .9215 -.1933 .1644 .3331 .2628 -.0165 28 SER 28 1.0911 999.9900 -.0289 999.9900 -.0193 .3477 .2931 .5091 .4191 .3690 29 THR 29 .8449 999.9900 .8779 999.9900 -.3332 .4632 .1236 .5712 .3847 .4169 30 ASN 30 1.1272 -3.3254 999.9900 999.9900 .1585 -.6799 .0338 .2647 .1685 -.3482 31 LEU 31 .9913 -2.9612 999.9900 999.9900 -.0758 -.6819 -.7660 -.1822 -.4254 -.5988 32 LYS 32 1.2214 -2.9005 999.9900 .1140 .5062 -.1890 -.0070 .1580 .0892 -.1134 33 THR 33 .8748 999.9900 .2916 999.9900 .1092 .4252 .1299 .4591 .3219 .3729 34 HIS 34 .9933 -.1773 999.9900 999.9900 .1122 .3094 .1229 .0376 .0732 .2177 35 PHE 35 -.6709 -.7766 999.9900 999.9900 .2172 -.4101 .6191 -.3120 .0759 -.1846 36 ARG 36 .3315 1.1781 999.9900 .5548 .1299 .5498 .5395 .5006 .5168 .5413 37 SER 37 -1.6374 999.9900 .3727 999.9900 .9098 -.1183 .2059 .6343 .4558 .0971 38 LYS 38 .9480 .1550 999.9900 1.0942 .7669 .8117 .6333 .6172 .6239 .7584 39 ASP 39 1.1285 -.7325 999.9900 999.9900 .5121 .3027 .1967 .6231 .4454 .3456 40 HIS 40 .6603 -.9211 999.9900 999.9900 -1.6368 -.6325 -2.4876 .3384 -.8391 -.8094 41 LYS 41 .3654 .6560 999.9900 .1731 -2.6618 -.2588 -.4655 -.3436 -.3944 -.3005 42 LYS 42 .8536 .4325 999.9900 .5131 .6805 .5986 .3410 .6568 .5252 .5701 43 ARG 43 .8469 -1.1343 999.9900 1.0005 .4407 .4309 .6275 .5850 .6027 .4810 44 LEU 44 1.1349 .8730 999.9900 999.9900 .7348 .9142 .0856 .6079 .3903 .6872 45 LYS 45 .8536 1.1488 999.9900 -.4035 .5595 .3510 .5844 .6357 .6143 .4250 46 GLN 46 1.2265 1.1250 999.9900 1.3059 .6605 1.0795 .1637 .6694 .4587 .8585 47 LEU 47 -.0169 -2.3037 999.9900 999.9900 -1.0998 -1.1401 .0844 .4576 .3021 -.5757 48 SER 48 -1.8983 999.9900 .3727 999.9900 -.6377 -.7211 -.0202 .5210 .2955 -.3325 49 VAL 49 -1.1682 999.9900 .4980 999.9900 -.3121 -.3274 .2902 .2572 .2710 -.0870 50 GLU 50 -1.0962 1.1195 999.9900 -1.0323 .7127 -.0741 .2868 .2879 .2875 .0464 51 PRO 51 -.9386 999.9900 999.9900 999.9900 .6188 -.1599 .3070 .5891 .4716 .1441 52 TYR 52 .1557 .8463 999.9900 999.9900 -1.9776 -.3252 -.2842 .5108 .1796 -.1498 53 SER 53 -1.1635 999.9900 .3727 999.9900 -1.1621 -.6510 -.4404 .6509 .1962 -.3485 54 GLN 54 -2.0516 .6816 999.9900 1.3059 .0346 -.0074 -.1407 .0716 -.0168 -.0164 55 GLU 55 -3.2255 -.4584 999.9900 -1.0323 -1.2865 -1.5007 .3894 -.9397 -.3859 -1.0922 56 GLU 56 -.9196 .6046 999.9900 .3501 .0814 .0291 .5973 .3848 .4734 .1831 57 ALA 57 -3.4646 999.9900 999.9900 999.9900 .7881 -1.3383 -.4024 .5870 .1747 -.6230 58 GLU 58 -3.2255 -.2267 999.9900 -1.0323 .7127 -.9430 -.3875 .2589 -.0104 -.6501 59 ARG 59 -2.0927 1.0644 999.9900 .6901 .7064 .2116 -.1624 .2786 .0948 .1678 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 -.9190 -2.1918 .4652 .3125 .3761 -.9015 61 ALA 61 -.5686 999.9900 999.9900 999.9900 .6550 .0432 .3308 .6945 .5429 .2779 62 GLY 62 -.2090 999.9900 999.9900 999.9900 .8277 .3093 -1.1268 .6527 -.1382 .0361 63 MET 63 -1.1708 .5321 999.9900 .9587 .6113 .2328 .2558 .6080 .4612 .2992 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .0811 .6978 .4237 -.4798 65 SER 65 -1.1405 999.9900 -.0289 999.9900 .7576 -.1372 -.1245 .5687 .2799 .0065 66 TYR 66 -.5013 .5582 999.9900 999.9900 .3421 .1330 -.2241 .6209 .2688 .1591 67 VAL 67 999.9900 999.9900 .8055 999.9900 999.9900 .8055 .2792 .4612 .3832 .5153 Means: -.5099 -.1407 .3448 .3705 .1147 -.0814 .0134 .3853 .2296 .0290 2.00 refined_13