1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6694 .4940 .5737 .1150 2 ALA 2 -2.0449 999.9900 999.9900 999.9900 .7458 -.6496 .6682 .3201 .4651 -.0777 3 ASP 3 -2.8635 -1.9171 999.9900 999.9900 .8104 -1.3234 .6768 .3938 .5117 -.5799 4 THR 4 -2.0114 999.9900 -.8810 999.9900 .4476 -.8150 .6543 -.2482 .1279 -.4077 5 GLY 5 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5708 .4695 .5145 -.1574 6 GLU 6 -3.2255 -1.5476 999.9900 .3501 .6899 -.9333 .6821 .5219 .5887 -.4215 7 VAL 7 .0815 999.9900 -.0276 999.9900 .7810 .2783 .6528 .1169 .3402 .3209 8 GLN 8 -.3854 -1.2219 999.9900 1.3059 .5113 .0524 .6806 .5161 .5846 .2344 9 PHE 9 -.0559 -1.4910 999.9900 999.9900 .7573 -.2632 .6743 .0856 .3309 -.0059 10 MET 10 -.3503 -.2135 999.9900 .9587 .5203 .2288 .6708 .5134 .5790 .3499 11 LYS 11 -.8267 -1.8181 999.9900 -.4035 .7460 -.5412 .4820 .1629 .2958 -.2944 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5378 -.3702 .0081 .1573 13 PHE 13 .0900 -.6160 999.9900 999.9900 .7573 .0771 .6757 .1076 .3443 .2029 14 ILE 14 .0718 -1.3617 999.9900 999.9900 .6034 -.2288 .6629 .0511 .3060 .0055 15 SER 15 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6785 .5339 .5942 .4087 16 GLU 16 .4426 -1.2470 999.9900 -1.0323 .6899 -.2867 .6749 .5259 .5879 .0090 17 LYS 17 -2.0221 -.9951 999.9900 -.4035 .7460 -.6156 .6789 .1510 .3710 -.3212 18 SER 18 .4640 999.9900 -.0289 999.9900 .6705 .3686 .6766 .5249 .5881 .4614 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6832 .5335 .5959 .2662 20 LYS 20 -2.7709 -1.2879 999.9900 -.4035 .7460 -.8239 .6748 .1522 .3699 -.4704 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6768 .5323 .5925 .1551 22 LEU 22 -.4065 -2.4128 999.9900 999.9900 .9565 -.6209 .6789 .1556 .3737 -.2057 23 GLU 23 -.3890 -2.8418 999.9900 -1.0323 .6899 -.8933 .6733 .5162 .5816 -.3973 24 ILE 24 .0813 -1.3617 999.9900 999.9900 .6034 -.2256 .4792 .0520 .2300 -.0292 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5545 -.3529 .0252 .2564 26 LEU 26 .4996 -2.3037 999.9900 999.9900 .9565 -.2825 .6796 .1529 .3724 -.0030 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .5783 .4768 .5219 .7065 28 PHE 28 .0766 -2.1527 999.9900 999.9900 .7573 -.4396 .6746 .0980 .3382 -.1092 29 ASN 29 .1528 -3.3254 999.9900 999.9900 .7518 -.8069 .6771 .3830 .5055 -.2721 30 GLU 30 -.3012 -1.9198 999.9900 -1.0323 .6899 -.6408 .6817 .5149 .5844 -.2278 31 TYR 31 -.4658 -4.1972 999.9900 999.9900 .5630 -1.3667 .6806 -.1818 .1775 -.7203 32 PHE 32 -1.8235 -2.5581 999.9900 999.9900 .7573 -1.2081 .4943 .1017 .2653 -.6057 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5541 -.3795 .0095 .0819 34 ALA 34 -1.4670 999.9900 999.9900 999.9900 .7458 -.3606 .4855 .3195 .3887 .0210 35 PRO 35 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5510 -.3749 .0109 .1594 36 PHE 36 -.8715 -.5729 999.9900 999.9900 .7573 -.2290 .5093 .1015 .2714 -.0152 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5457 -.3669 .0133 .2041 38 ILE 38 -2.4302 -3.0500 999.9900 999.9900 .6034 -1.6256 .6462 .0433 .2945 -.8375 39 THR 39 .1260 999.9900 .6346 999.9900 .4476 .4027 .6573 -.2521 .1268 .3227 40 VAL 40 -.3288 999.9900 .3968 999.9900 .7810 .2830 .6579 .1239 .3464 .3262 41 ASP 41 -.9091 -.3623 999.9900 999.9900 .8104 -.1537 .6759 .3760 .5009 .1182 42 LEU 42 -.1897 -2.3037 999.9900 999.9900 .9565 -.5123 .6767 .1669 .3793 -.1387 43 LEU 43 -.6830 -2.4128 999.9900 999.9900 .9565 -.7131 .6764 .1571 .3735 -.2612 44 ASP 44 -.5058 -1.6521 999.9900 999.9900 .8104 -.4492 .6827 .3788 .5054 -.0572 45 TYR 45 -2.3553 .4290 999.9900 999.9900 .5630 -.4545 .6769 -.1797 .1772 -.1732 46 SER 46 -2.7213 999.9900 -.7153 999.9900 .6705 -.9220 .6789 .5355 .5953 -.3103 47 GLY 47 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5905 .4735 .5255 .0184 48 ARG 48 -.4155 -1.2607 999.9900 .6901 .8581 .1124 .6768 .5198 .5852 .2512 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6775 .5368 .5954 .2414 50 TRP 50 .1337 -3.3859 999.9900 999.9900 .9378 -.7715 .6777 .1943 .3957 -.2885 51 THR 51 -1.0713 999.9900 -.2947 999.9900 .4476 -.3061 .6635 -.2656 .1215 -.1041 52 VAL 52 -.5494 999.9900 -1.0788 999.9900 .7810 -.2824 .6553 .1127 .3388 -.0158 53 ARG 53 -.4155 -2.0954 999.9900 .1593 .8581 -.2668 .6774 .5145 .5824 -.0203 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6800 .5246 .5894 -.0309 55 LYS 55 -.2799 -.7357 999.9900 .1731 .7460 .0153 .6791 .1487 .3697 .1292 56 LYS 56 -.7885 -2.9005 999.9900 -.4035 .7460 -.7500 .6774 .1642 .3781 -.4155 57 ARG 57 -1.2588 -2.3766 999.9900 .6901 .8581 -.2794 .6741 .5163 .5820 -.0295 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5783 .4693 .5177 -.1556 59 GLU 59 -1.0162 -.7564 999.9900 -1.0323 .6899 -.5288 .6782 .5240 .5882 -.1521 60 LYS 60 -.3223 -2.4344 999.9900 -.0397 .7460 -.4180 .6770 .1491 .3690 -.1806 61 VAL 61 -.0951 999.9900 .3968 999.9900 .7810 .3609 .6565 .1373 .3536 .3753 62 PHE 62 -.3916 -.0090 999.9900 999.9900 .7573 .1189 .6803 .1043 .3443 .2283 63 LEU 63 -1.0430 -1.4497 999.9900 999.9900 .9565 -.5120 .6722 .1582 .3724 -.1411 64 THR 64 -4.2065 999.9900 .0483 999.9900 .4476 -1.2369 .6552 -.2446 .1303 -.6600 65 VAL 65 -1.2071 999.9900 .8055 999.9900 .7810 .1265 .6680 .1268 .3523 .2348 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5851 .4705 .5215 -.1122 67 TRP 67 .4280 -1.9067 999.9900 999.9900 .9378 -.1803 .6740 .1935 .3937 .0653 68 GLU 68 1.0761 -1.6501 999.9900 -1.0323 .6899 -.2291 .6801 .5276 .5911 .0485 69 ASN 69 1.0488 -.5828 999.9900 999.9900 .7518 .4059 .6739 .3772 .5009 .4538 70 PHE 70 .6259 -3.6820 999.9900 999.9900 .7573 -.7663 .6783 .0941 .3375 -.3053 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6538 .1176 .3410 .2914 72 LYS 72 .3654 -1.3520 999.9900 -.4035 .7460 -.2095 .6770 .1609 .3759 -.0300 73 ASP 73 .9921 -3.1847 999.9900 999.9900 .8104 -.4607 .6752 .3727 .4987 -.0669 74 ASN 74 .3429 -.4625 999.9900 999.9900 .7518 .2107 .6777 .3850 .5069 .3390 75 ASN 75 -2.1824 -1.0148 999.9900 999.9900 .7518 -.8151 .6748 .3792 .5024 -.2783 76 LEU 76 -2.2364 -2.5464 999.9900 999.9900 .9565 -1.2754 .6765 .1522 .3707 -.5995 77 GLU 77 -.9196 -.6022 999.9900 -1.0323 .6899 -.4661 .6743 .5291 .5896 -.1102 78 ASP 78 -.9954 -.3623 999.9900 999.9900 .8104 -.1824 .6779 .3898 .5099 .1041 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5782 .4614 .5133 -.0290 80 LYS 80 -.7069 -1.5020 999.9900 .1731 .7460 -.2233 .6780 .1407 .3646 -.0426 81 TYR 81 .3981 .3615 999.9900 999.9900 .5630 .4409 .6765 -.1824 .1755 .3633 82 LEU 82 -.4738 -2.4128 999.9900 999.9900 .9565 -.6434 .6775 .1542 .3723 -.2197 83 GLN 83 -.3964 -2.2325 999.9900 1.3059 .5113 -.2029 .6778 .5328 .5932 .0665 84 PHE 84 -.0168 -3.6820 999.9900 999.9900 .7573 -.9805 .6758 .1054 .3431 -.4321 85 ILE 85 .3543 .0606 999.9900 999.9900 .6034 .3395 .6533 .0444 .2981 .3432 86 TYR 86 .2641 -4.1972 999.9900 999.9900 .5630 -1.1234 .6768 -.1816 .1761 -.5750 87 ASP 87 -2.8635 -1.8420 999.9900 999.9900 .8104 -1.2984 .6825 .3898 .5118 -.5646 88 ARG 88 -2.9267 -1.8960 999.9900 1.3169 .8581 -.2662 .6739 .5056 .5757 -.0216 89 ASP 89 -2.8635 -1.0260 999.9900 999.9900 .8104 -1.0264 .6783 .3743 .5009 -.4053 90 ARG 90 -1.8488 -2.3766 999.9900 .6901 .8581 -.3974 .6762 .5166 .5831 -.1135 91 THR 91 .2184 999.9900 .0483 999.9900 .4476 .2381 .6574 -.2539 .1258 .2235 92 PHE 92 .1032 -.6459 999.9900 999.9900 .7573 .0715 .6789 .1026 .3427 .1992 93 TYR 93 .0214 .2551 999.9900 999.9900 .5630 .2798 .6822 -.1851 .1763 .2673 94 VAL 94 -.5494 999.9900 .8055 999.9900 .7810 .3457 .6604 .1262 .3488 .3648 95 ILE 95 -1.5441 -1.5793 999.9900 999.9900 .6034 -.8400 .6577 .0421 .2986 -.3640 96 ILE 96 -.1408 -1.1192 999.9900 999.9900 .6034 -.2189 .6625 .0555 .3084 .0123 97 TYR 97 -.7539 .2608 999.9900 999.9900 .5630 .0233 .6747 -.1897 .1705 .1110 98 GLY 98 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5744 .4673 .5149 .0880 99 HIS 99 -.3517 -3.1083 999.9900 999.9900 .6686 -.9305 .6762 .3218 .4694 -.3587 100 ASN 100 -2.8943 -2.0766 999.9900 999.9900 .7518 -1.4064 .6717 .3787 .5008 -.6337 101 MET 101 -1.4527 -2.0676 999.9900 .9587 .5203 -.5103 .6711 .5190 .5824 -.1418 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6805 .2448 .4315 .3517 Means: -.7292 -1.6943 -.1948 .1096 .7095 -.3585 .6524 .2116 .3961 -.0545 2.00 analyzed_1