1 ASP 1 999.9900 -.2599 999.9900 999.9900 .7118 .2260 .5205 .3916 .4502 .3410 2 PRO 2 -.2296 999.9900 999.9900 999.9900 .6188 .1946 .6437 .2025 .3864 .3089 3 ASN 3 -.2390 -.3237 999.9900 999.9900 .5940 .0105 .1164 -.4153 -.1937 -.0535 4 ALA 4 -1.9174 999.9900 999.9900 999.9900 -.1129 -1.0152 -.0934 .5207 .2648 -.4007 5 GLU 5 1.0761 .4305 999.9900 -1.0323 .2865 .1902 .2349 .4939 .3860 .2483 6 PHE 6 -.1586 -.3506 999.9900 999.9900 -.0075 -.1722 -.3419 .6050 .2104 -.0507 7 ASP 7 -.3017 -1.1646 999.9900 999.9900 .4469 -.3398 .5244 .3804 .4404 -.0229 8 PRO 8 .0709 999.9900 999.9900 999.9900 .4496 .2603 .5298 .3098 .4015 .3400 9 ASP 9 .3915 -.2599 999.9900 999.9900 .6310 .2542 -.6416 .3819 -.0446 .1006 10 LEU 10 -.2022 -1.6805 999.9900 999.9900 .7348 -.3826 .0993 .4398 .2979 -.1218 11 PRO 11 -3.5209 999.9900 999.9900 999.9900 .5793 -1.4708 .5259 .3666 .4330 -.5123 12 GLY 12 .5273 999.9900 999.9900 999.9900 .2296 .3785 .5162 .5743 .5485 .4619 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.8367 -.0099 .6635 .5809 .6176 .3062 14 GLY 14 .9290 999.9900 999.9900 999.9900 -.0631 .4330 .4737 .6049 .5466 .4861 15 LEU 15 -.8188 .8730 999.9900 999.9900 .3346 .1296 -.3519 .6225 .2165 .1319 16 HIS 16 -1.2838 .8438 999.9900 999.9900 .5967 .0522 -1.3197 .3688 -.3347 -.1588 17 ARG 17 -.2757 -2.8571 999.9900 .1593 -2.3710 -1.0371 -1.1074 .4998 -.1698 -.8275 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 -.1282 .3375 .1434 .0108 19 LEU 19 .8786 .8710 999.9900 999.9900 .6926 .8141 .5461 .6749 .6213 .7326 20 ALA 20 .3573 999.9900 999.9900 999.9900 .4617 .4095 .6529 .6466 .6492 .5296 21 CYS 21 -.6995 999.9900 .1296 999.9900 -.6280 -.3993 .5629 .2096 .3568 -.0851 22 ALA 22 -3.4646 999.9900 999.9900 999.9900 -.0105 -1.7376 .4693 .4200 .4405 -.6465 23 ARG 23 -.5614 .8761 999.9900 .1593 -1.3564 -.1446 -1.1018 .5073 -.1632 -.1882 24 TYR 24 -.0390 .3309 999.9900 999.9900 .5127 .2682 -.7469 .2485 -.1662 .0612 25 PHE 25 .0766 .5589 999.9900 999.9900 -2.2412 -.5352 .5542 .6002 .5810 -.0903 26 ILE 26 -.9062 -.1544 999.9900 999.9900 .9338 -.0423 .2802 .4204 .3620 .1148 27 ASP 27 -.9091 -.5059 999.9900 999.9900 .5431 -.2906 .4636 .5864 .5352 .0356 28 SER 28 .8349 999.9900 .3727 999.9900 .5740 .5939 .4759 .4785 .4774 .5472 29 THR 29 1.2375 999.9900 -.8810 999.9900 .1092 .1552 .5030 .6283 .5761 .3194 30 ASN 30 1.3908 -.2921 999.9900 999.9900 -.1777 .3070 .0683 .6078 .3830 .3194 31 LEU 31 .9913 -3.3760 999.9900 999.9900 -.1723 -.8523 -.3675 .0756 -.1090 -.5698 32 LYS 32 1.0429 1.1488 999.9900 .1140 -.2082 .4423 .4361 .6548 .5637 .4718 33 THR 33 .8748 999.9900 1.0667 999.9900 .1092 .6836 .2460 .5316 .4126 .5657 34 HIS 34 .9933 -.2881 999.9900 999.9900 .5967 .4340 .1488 .3438 .2625 .3589 35 PHE 35 -.9688 -.7766 999.9900 999.9900 .0736 -.5573 .3502 -.1162 .0781 -.2876 36 ARG 36 -.6641 .1897 999.9900 .5548 -2.3710 -.3472 .4153 .2184 .3005 -.1574 37 SER 37 -2.3021 999.9900 .3727 999.9900 -.1819 -.7038 -.1663 .2885 .0990 -.3978 38 LYS 38 .9480 1.1488 999.9900 1.1353 .7669 1.0269 .0894 .6215 .3998 .8350 39 ASP 39 1.1285 -1.3328 999.9900 999.9900 .8104 .2021 -.2051 .5050 .2091 .1812 40 HIS 40 .8901 -.1263 999.9900 999.9900 .6686 .4775 -1.7088 .6552 -.3298 .0758 41 LYS 41 .9480 1.1488 999.9900 -.4035 -2.0338 -.1488 -.5259 .5035 .0746 -.1095 42 LYS 42 .9451 -.1469 999.9900 1.5344 .7669 .9268 .5395 .4494 .4869 .8033 43 ARG 43 .9556 -2.8571 999.9900 .5548 .6728 -.0238 -.0861 .1198 .0340 -.0122 44 LEU 44 -.0169 -1.1113 999.9900 999.9900 -1.0998 -.7427 -.5006 .5191 .0942 -.4419 45 LYS 45 1.0429 .8596 999.9900 .6506 .5062 .7420 .6965 .4621 .5598 .6955 46 GLN 46 .3572 -.2368 999.9900 1.3059 .5636 .4975 .3097 .6009 .4796 .4834 47 LEU 47 -.5648 .8730 999.9900 999.9900 -2.5031 -.7316 -.1362 -.1909 -.1681 -.5044 48 SER 48 -3.7598 999.9900 -.7153 999.9900 -2.5979 -2.3577 .4250 -1.0825 -.4544 -1.5461 49 VAL 49 -4.3409 999.9900 .4980 999.9900 .7394 -1.0345 .1766 -1.2852 -.6761 -.8424 50 GLU 50 -3.2255 .7809 999.9900 -1.0323 -1.8950 -1.3430 .2026 -2.3814 -1.3047 -1.2585 51 PRO 51 -3.8843 999.9900 999.9900 999.9900 -1.0436 -2.4639 .4908 .5197 .5077 -.9793 52 TYR 52 -.5197 -.9448 999.9900 999.9900 -1.9776 -1.1474 .0905 .0997 .0958 -.6504 53 SER 53 -.0420 999.9900 -.0289 999.9900 .8922 .2738 -.5990 .3028 -.0729 .1050 54 GLN 54 -1.0647 .6267 999.9900 2.7911 -.4029 .4875 -.0990 -.1585 -.1337 .2821 55 GLU 55 -.2702 1.2230 999.9900 1.1588 .3899 .6254 .4255 .3117 .3591 .5398 56 GLU 56 -3.2255 -.2267 999.9900 -1.0323 .5112 -.9934 .5099 .5364 .5253 -.4879 57 ALA 57 -1.5027 999.9900 999.9900 999.9900 -.0434 -.7731 .5638 .6322 .6037 -.0875 58 GLU 58 .0468 1.1195 999.9900 -1.0323 -.4821 -.0870 .6069 .5719 .5865 .1384 59 ARG 59 -2.9267 .7238 999.9900 .1593 -.0761 -.3921 .5426 .4308 .4774 -.1410 60 ALA 60 -1.7531 999.9900 999.9900 999.9900 .2428 -.7552 .2563 .5224 .4115 -.1829 61 ALA 61 -1.9568 999.9900 999.9900 999.9900 .4419 -.7575 -.7791 .3215 -.1371 -.4931 62 GLY 62 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .1087 .4720 .3105 .0520 63 MET 63 -2.2339 -1.7864 999.9900 .9587 .7725 -.5723 .0331 -.0061 .0102 -.3770 64 GLY 64 -2.9723 999.9900 999.9900 999.9900 .8016 -1.0853 -.0244 .6698 .3613 -.3813 65 SER 65 -1.8983 999.9900 1.2119 999.9900 .5215 -.0550 .3088 .5122 .4275 .1312 66 TYR 66 -3.6999 .7421 999.9900 999.9900 .9193 -.6795 .2227 .0502 .1221 -.3531 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .1742 .1394 .1543 -.2550 Means: -.6260 -.1388 .0979 .4043 -.0397 -.1735 .0967 .3042 .2173 -.0264 2.00 refined_4