1 GLU 1 999.9900 .3424 999.9900 -1.0323 .6899 .0000 .6688 .4980 .5757 .2334 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 .7458 -.6744 .6660 .3088 .4576 -.0935 3 GLU 3 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6783 .5174 .5844 -.7153 4 VAL 4 -2.6451 999.9900 .8055 999.9900 .7810 -.3529 .6542 .1239 .3449 -.0561 5 HIS 5 -2.1861 -.2881 999.9900 999.9900 .6686 -.6018 .6763 .3286 .4735 -.1601 6 ASN 6 -2.8943 -2.7010 999.9900 999.9900 .7518 -1.6145 .6733 .3718 .4974 -.7597 7 GLN 7 -2.2003 -2.6982 999.9900 1.3059 .5113 -.7703 .6808 .5195 .5867 -.3135 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6739 .1533 .3702 -.3338 9 GLU 9 -.4497 -2.1111 999.9900 -1.0323 .6899 -.7258 .6812 .5248 .5900 -.2829 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6621 .0448 .3020 .3296 11 LYS 11 -.1665 -2.9005 999.9900 .1731 .7460 -.3950 .6745 .1513 .3693 -.1642 12 PHE 12 .0490 -.6459 999.9900 999.9900 .7573 .0535 .6759 .0980 .3388 .1869 13 ARG 13 -.5160 -1.8960 999.9900 .1593 .8581 -.2470 .6799 .5232 .5885 -.0046 14 LEU 14 -1.1383 -2.5464 999.9900 999.9900 .9565 -.9094 .6739 .1641 .3765 -.3780 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6583 -.2574 .1241 .0895 16 ASP 16 .0771 -2.3194 999.9900 999.9900 .8104 -.4773 .6750 .3863 .5066 -.0741 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5725 .4634 .5119 .7139 18 SER 18 .1787 999.9900 -.7153 999.9900 .6705 .0446 .6801 .5372 .5967 .2702 19 ASP 19 -.9509 -3.7306 999.9900 999.9900 .8104 -1.2904 .6747 .3894 .5083 -.5614 20 ILE 20 .0813 .4983 999.9900 999.9900 .6034 .3943 .6601 .0500 .3042 .3786 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3291 .4655 .4049 .0796 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5375 -.3550 .0168 .2516 23 LYS 23 -.2799 -1.5918 999.9900 -.4035 .7460 -.3866 .6773 .1532 .3716 -.1575 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6704 .3169 .4642 .2385 25 PHE 25 -.0017 -.4548 999.9900 999.9900 .7573 .1003 .4700 .0967 .2522 .1735 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5395 -.3553 .0176 .2634 27 ASP 27 .2994 -.9533 999.9900 999.9900 .8104 .0522 .6770 .3820 .5049 .2431 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6618 .3303 .4684 .2923 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6546 -.2448 .1299 -.0817 30 THR 30 -.7928 999.9900 -.2947 999.9900 .4476 -.2133 .6595 -.2559 .1255 -.0472 31 VAL 31 -1.6906 999.9900 -.2457 999.9900 .7810 -.3851 .6589 .1260 .3480 -.0741 32 SER 32 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6747 .5296 .5900 .4071 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6659 .3232 .4660 .5961 34 LEU 34 1.1349 -3.3760 999.9900 999.9900 .8331 -.4693 .6808 .1705 .3831 -.1114 35 LYS 35 .8536 -2.9005 999.9900 -.4035 .7460 -.4216 .6816 .1573 .3758 -.1813 36 GLU 36 .6116 -1.1891 999.9900 -1.0323 .6899 -.2300 .6733 .5231 .5857 .0461 37 THR 37 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6604 -.2665 .1197 .1464 38 VAL 38 .9834 999.9900 .8662 999.9900 .7810 .8769 .6544 .1219 .3438 .6814 39 ILE 39 .4667 .6122 999.9900 999.9900 .6034 .5608 .6583 .0441 .3000 .4769 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6827 .5341 .5960 .4074 41 GLU 41 -.6897 -1.2470 999.9900 -1.0323 .6899 -.5698 .6770 .5278 .5900 -.1790 42 TRP 42 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .4805 .1908 .3115 -.4761 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5446 -.3670 .0128 -.1965 44 ARG 44 .3315 -.1311 999.9900 .5548 .8581 .4336 .6774 .5131 .5816 .4798 45 GLU 45 .6833 -.5578 999.9900 -1.0323 .6899 -.0543 .6783 .5196 .5858 .1635 46 LYS 46 -3.5196 -.5094 999.9900 -.0397 .7460 -.6725 .6807 .1604 .3772 -.3602 47 GLU 47 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6819 .5249 .5903 -.6367 48 ASN 48 -1.5699 -1.8756 999.9900 999.9900 .7518 -.8979 .6731 .3694 .4960 -.3302 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3544 .4692 .4182 -.4686 50 PRO 50 -2.8996 999.9900 999.9900 999.9900 .4496 -1.2250 .5598 -.3532 .0272 -.5608 51 LYS 51 -3.5196 -1.4228 999.9900 -.0397 .7460 -.8552 .6645 .1504 .3646 -.4944 52 THR 52 -.7170 999.9900 -.2947 999.9900 .4476 -.1880 .6643 -.2603 .1249 -.0320 53 VAL 53 -1.6906 999.9900 -1.0788 999.9900 .7810 -.6628 .6568 .1149 .3407 -.2433 54 LYS 54 .7090 -.5289 999.9900 -.0397 .7460 .1693 .6789 .1635 .3782 .2413 55 GLU 55 -2.3953 -.7564 999.9900 .3501 .6899 -.5279 .6807 .5322 .5941 -.1498 56 VAL 56 -.4049 999.9900 .4980 999.9900 .7810 .2914 .6563 .1301 .3493 .3321 57 LYS 57 -.3161 -1.5918 999.9900 .2495 .7460 -.1326 .6769 .1621 .3766 .0252 58 LEU 58 -.2443 -3.3760 999.9900 999.9900 .9565 -.8879 .6768 .1573 .3738 -.3659 59 ILE 59 -.2736 .8237 999.9900 999.9900 .6034 .3845 .6534 .0366 .2936 .3687 60 SER 60 -1.3485 999.9900 -.7153 999.9900 .6705 -.4644 .6760 .5336 .5929 -.0367 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6699 .3127 .4616 -.1202 62 GLY 62 .1572 999.9900 999.9900 999.9900 .7883 .4727 .5761 .4715 .5180 .4983 63 LYS 63 -.2455 -2.9005 999.9900 -.0397 .7460 -.4959 .6745 .1602 .3745 -.2350 64 VAL 64 -.4192 999.9900 -1.0788 999.9900 .7810 -.2390 .6639 .1216 .3476 .0137 65 LEU 65 -.6961 -2.7185 999.9900 999.9900 .9565 -.8194 .6776 .1635 .3777 -.3234 66 GLU 66 -1.2298 -.7859 999.9900 -1.0323 .6899 -.5895 .6795 .5209 .5870 -.1930 67 ASN 67 1.3908 -1.5725 999.9900 999.9900 .7518 .1901 .6764 .3790 .5029 .3251 68 SER 68 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6769 .5327 .5928 .3604 69 LYS 69 -.8010 -.0150 999.9900 -.4035 .7460 -.1754 .6799 .1635 .3787 -.0048 70 THR 70 -.6884 999.9900 -.8810 999.9900 .4476 -.3740 .6625 -.2653 .1213 -.1449 71 VAL 71 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6553 .1241 .3454 .2095 72 LYS 72 1.2214 -1.6955 999.9900 -.0770 .7460 .0236 .6739 .1490 .3677 .1344 73 ASP 73 .2251 -1.4116 999.9900 999.9900 .8104 -.1254 .6727 .3769 .5001 .1347 74 TYR 74 -1.2852 -2.7782 999.9900 999.9900 .5630 -1.1668 .6770 -.1936 .1692 -.6034 75 ARG 75 -.4636 -2.3766 999.9900 .1593 .8581 -.3327 .6777 .5227 .5873 -.0662 76 SER 76 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .5025 .5357 .5219 .0936 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5501 -.3712 .0127 .1601 78 VAL 78 -3.2710 999.9900 -1.0788 999.9900 .7810 -1.1896 .6481 .1216 .3410 -.5598 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6813 .5354 .5962 -.5176 80 ASN 80 -.9637 -2.7010 999.9900 999.9900 .7518 -.9710 .6786 .3791 .5039 -.3710 81 LEU 81 -3.7702 -2.2115 999.9900 999.9900 .9565 -1.6750 .6771 .1500 .3696 -.8396 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6667 .3107 .4590 -.4354 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5876 .4790 .5273 -.4079 84 ALA 84 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6622 .3242 .4650 .2080 85 VAL 85 -.3682 999.9900 .1416 999.9900 .7810 .1848 .6496 .1170 .3389 .2642 86 THR 86 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6549 -.2590 .1218 .0598 87 THR 87 .1937 999.9900 .0483 999.9900 .4476 .2298 .6594 -.2693 .1176 .2159 88 MET 88 -.3206 -1.4323 999.9900 .9587 .5203 -.0685 .6767 .5236 .5874 .1544 89 HIS 89 -.5497 -1.1713 999.9900 999.9900 .6686 -.3508 .6807 .3298 .4760 -.0084 90 VAL 90 -.3909 999.9900 .3968 999.9900 .7810 .2623 .6587 .1241 .3468 .3139 91 ILE 91 .0187 -2.2551 999.9900 999.9900 .6034 -.5444 .6560 .0423 .2980 -.1869 92 ILE 92 -.1796 -1.9342 999.9900 999.9900 .6034 -.5035 .6551 .0471 .3004 -.1617 93 GLN 93 -.7185 -2.6982 999.9900 2.7911 .5113 -.0286 .6753 .5303 .5907 .1819 94 ALA 94 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .4877 .3237 .3921 .1809 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5528 -.3608 .0199 .0863 96 VAL 96 -4.3409 999.9900 .4980 999.9900 .7810 -1.0206 .6636 .1185 .3456 -.4560 97 THR 97 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6537 -.2562 .1229 -.1189 98 GLU 98 -3.2255 -1.7714 999.9900 .3501 .6899 -.9892 .6738 .5155 .5815 -.4613 99 LYS 99 -3.0472 -.7357 999.9900 -.4035 .7460 -.7688 .6804 .1493 .3706 -.4306 100 GLU 100 -3.2255 -.8834 999.9900 -1.0323 .6899 -1.1128 .6754 .5260 .5883 -.5417 101 LYS 101 999.9900 -.7918 999.9900 -.4035 999.9900 -.5329 .6785 -.0318 .2726 -.1904 Means: -.8314 -1.5733 -.4515 -.1239 .6967 -.3594 .6478 .2062 .3909 -.0577 2.00 analyzed_16