1 ASP 1 999.9900 -.7325 999.9900 999.9900 -.1266 -.4295 .4782 .1207 .2832 -.0651 2 PRO 2 -5.1268 999.9900 999.9900 999.9900 .2426 -2.4421 .2750 .4048 .3507 -1.0511 3 ASN 3 .2469 -1.5725 999.9900 999.9900 -.0996 -.4751 .5278 .5865 .5621 -.0622 4 ALA 4 -1.7531 999.9900 999.9900 999.9900 .0212 -.8659 -.6474 .0085 -.2648 -.5927 5 GLU 5 .1025 .7809 999.9900 1.1588 -.3984 .4109 -.4085 .4739 .1062 .2849 6 PHE 6 -.8947 .7639 999.9900 999.9900 .5495 .1395 -.4142 .5838 .1680 .1177 7 ASP 7 -.3726 -1.2611 999.9900 999.9900 .1337 -.5000 .3189 .2661 .2881 -.1830 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .8563 .3533 .5154 .4378 .4701 .4149 9 ASP 9 -.0867 -.3515 999.9900 999.9900 .6856 .0825 .3056 .5324 .4379 .2171 10 LEU 10 -.2787 -1.5832 999.9900 999.9900 .6708 -.3970 .1671 .2226 .1995 -.1603 11 PRO 11 -.2296 999.9900 999.9900 999.9900 .8563 .3133 .5422 .4594 .4939 .4071 12 GLY 12 .9290 999.9900 999.9900 999.9900 .4101 .6695 .5681 .5949 .5830 .6255 13 GLY 13 1.0314 999.9900 999.9900 999.9900 -1.3818 -.1752 .2754 .5375 .4210 .1156 14 GLY 14 1.0023 999.9900 999.9900 999.9900 .2296 .6160 .2378 .5848 .4306 .5136 15 LEU 15 .8442 -1.8410 999.9900 999.9900 -1.3910 -.7959 .0967 .6334 .4098 -.3315 16 HIS 16 -1.4902 .9673 999.9900 999.9900 .9611 .1461 -.3879 .3623 .0497 .0825 17 ARG 17 -.3294 .4144 999.9900 .1593 -2.3710 -.3935 -.9061 .3033 -.2006 -.3672 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 -.3601 .1810 -.0445 -.3579 19 LEU 19 1.1349 -1.4036 999.9900 999.9900 .6258 .1190 .2746 .2402 .2545 .1744 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .8416 .3660 .6985 .5988 .6403 .5073 21 CYS 21 -.8048 999.9900 .1296 999.9900 .4013 -.0913 .3515 .2951 .3186 .0745 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.2278 -.9765 .4045 .3530 .3745 -.2989 23 ARG 23 -.5614 .7735 999.9900 .1593 -1.7309 -.2400 -.4036 .5543 .1552 -.1499 24 TYR 24 -.0390 .3565 999.9900 999.9900 .8158 .3778 -.4390 .1844 -.0753 .1757 25 PHE 25 .0766 .5589 999.9900 999.9900 -.5721 .0211 .3809 .5622 .4866 .2013 26 ILE 26 -.4094 -.2546 999.9900 999.9900 .2717 -.1308 .3489 .5516 .4671 .1016 27 ASP 27 -.6293 -.5059 999.9900 999.9900 .7866 -.1162 .3571 .5966 .4969 .1210 28 SER 28 1.0911 999.9900 -.0289 999.9900 .7982 .6201 .5616 .5303 .5433 .5905 29 THR 29 1.2375 999.9900 -.2947 999.9900 .5164 .4864 .5194 .5752 .5519 .5107 30 ASN 30 1.1272 -2.3357 999.9900 999.9900 .9106 -.0993 .1770 .5215 .3780 .0801 31 LEU 31 .8182 -2.9612 999.9900 999.9900 .9730 -.3900 -.4797 .0637 -.1627 -.3172 32 LYS 32 1.2214 .8340 999.9900 .1731 .5595 .5922 .5684 .6232 .6004 .5932 33 THR 33 .8748 999.9900 1.4642 999.9900 -.1184 .7402 .6195 .5943 .6048 .6869 34 HIS 34 .4792 -2.4183 999.9900 999.9900 .5967 -.4475 .1712 .3628 .2830 -.1617 35 PHE 35 -.2986 -.0015 999.9900 999.9900 .0736 -.0755 .3085 -.1017 .0692 -.0040 36 ARG 36 -1.9585 1.0858 999.9900 1.0005 .1299 .2517 -1.1642 -.8923 -1.0056 -.1140 37 SER 37 -1.3485 999.9900 .3727 999.9900 -.1819 -.3859 -.4846 -.6059 -.5554 -.4496 38 LYS 38 1.0429 .1550 999.9900 .9953 .7460 .7869 .6537 .6271 .6382 .7451 39 ASP 39 1.0815 -1.4542 999.9900 999.9900 -1.8780 -.7502 .4398 .6658 .5716 -.2290 40 HIS 40 1.4298 -.7214 999.9900 999.9900 .5967 .4350 -2.6200 .4924 -.8044 -.1645 41 LYS 41 .6780 1.0637 999.9900 -.4035 -1.4057 -.0942 -.2945 -.4084 -.3610 -.1677 42 LYS 42 1.2214 .4325 999.9900 .9312 -.4103 .6212 .5356 .4195 .4679 .5802 43 ARG 43 .9556 .1897 999.9900 .6901 -.5739 .3903 .5228 .3925 .4468 .4095 44 LEU 44 .6509 .8730 999.9900 999.9900 .7949 .7729 .5183 .5535 .5389 .6781 45 LYS 45 1.0838 -1.6955 999.9900 .6506 .8457 .3070 -.0077 -.0438 -.0287 .2120 46 GLN 46 .9732 .5350 999.9900 1.3059 .6605 .8686 .6573 .6569 .6571 .7981 47 LEU 47 -.3532 .8847 999.9900 999.9900 .6926 .4080 .2217 .5828 .4324 .4057 48 SER 48 -3.7598 999.9900 -.0289 999.9900 .6931 -1.0318 .4130 .5702 .5047 -.4225 49 VAL 49 -4.3409 999.9900 -1.0788 999.9900 .2505 -1.7231 .5062 .5941 .5575 -.8138 50 GLU 50 -1.9096 .6046 999.9900 -1.0323 -1.2865 -.9059 .3227 .2568 .2842 -.5074 51 PRO 51 -2.7614 999.9900 999.9900 999.9900 .4021 -1.1797 .2554 .2088 .2282 -.4738 52 TYR 52 -3.6999 -.6967 999.9900 999.9900 -1.0119 -1.8028 -.7732 .0316 -.3037 -1.2300 53 SER 53 -.7578 999.9900 -.7153 999.9900 -.3096 -.5943 .5184 .4686 .4894 -.1592 54 GLN 54 -2.2003 .6267 999.9900 1.3059 -1.2230 -.3727 -2.4571 -.4825 -1.3053 -.7384 55 GLU 55 .3258 -.4584 999.9900 -1.0323 .6899 -.1188 -.2166 -1.3985 -.9061 -.3484 56 GLU 56 -.3012 .1870 999.9900 .3501 .0339 .0675 .1685 -3.6449 -2.0560 -.5344 57 ALA 57 -2.2766 999.9900 999.9900 999.9900 .6550 -.8108 .5484 .4369 .4834 -.1591 58 GLU 58 -3.2255 -.3402 999.9900 -1.0323 .6424 -.9889 -.5054 .3268 -.0200 -.6890 59 ARG 59 -.9440 -.2334 999.9900 1.0856 .2455 .2478 .2752 .6149 .4733 .3042 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 -.3130 -1.8888 .6405 .6107 .6231 -.6316 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .5367 -1.4640 .0410 .2363 .1549 -.6627 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .2782 -1.6041 -.0795 .6276 .3133 -.6650 63 MET 63 -2.6662 -1.7864 999.9900 .9587 .5203 -.7434 -.5991 .1497 -.1623 -.5705 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .5943 -1.4461 -1.1371 .4216 -.2711 -.9019 65 SER 65 -.5989 999.9900 .6576 999.9900 .3425 .1337 .4038 .5347 .4802 .2679 66 TYR 66 .1557 -.7306 999.9900 999.9900 .4594 -.0385 -.7918 .5646 -.0005 -.0685 67 VAL 67 999.9900 999.9900 -.0276 999.9900 999.9900 -.0276 .4927 .5110 .5032 .3254 Means: -.6221 -.3232 .0527 .4595 .0880 -.1632 .0372 .2685 .1716 -.0387 2.00 refined_5