1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6748 .5129 .5865 .1760 2 ALA 2 -.6057 999.9900 999.9900 999.9900 .7458 .0700 .6612 .3285 .4671 .2824 3 ASP 3 -.5648 -.5192 999.9900 999.9900 .8104 -.0912 .6810 .3782 .5044 .1571 4 THR 4 -.3275 999.9900 .8779 999.9900 .4476 .3327 .6589 -.2629 .1212 .2788 5 GLY 5 -.6797 999.9900 999.9900 999.9900 .7883 .0543 .5835 .4708 .5209 .2907 6 GLU 6 -1.2516 -1.9198 999.9900 -1.0323 .6899 -.8785 .6803 .5242 .5893 -.3849 7 VAL 7 -.3288 999.9900 -1.0788 999.9900 .7810 -.2088 .6568 .1211 .3444 .0303 8 GLN 8 -.9041 -2.2325 999.9900 1.3059 .5113 -.3299 .6816 .5279 .5919 -.0183 9 PHE 9 -.0559 -.7592 999.9900 999.9900 .7573 -.0192 .6797 .1072 .3458 .1458 10 MET 10 -.2922 -2.0676 999.9900 .9587 .5203 -.2202 .6770 .5155 .5828 .0519 11 LYS 11 -.2345 -2.9005 999.9900 .8043 .7460 -.1561 .4780 .1517 .2876 -.0215 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5440 -.3751 .0079 .2482 13 PHE 13 -.0017 -3.6820 999.9900 999.9900 .7573 -.9755 .6763 .1060 .3436 -.4288 14 ILE 14 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6590 .0403 .2981 -.2519 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6740 .5312 .5907 .2598 16 GLU 16 .8171 -1.9198 999.9900 -1.0323 .6899 -.3613 .6768 .5242 .5878 -.0407 17 LYS 17 -2.0221 -1.6955 999.9900 -.4035 .7460 -.7557 .6806 .1551 .3740 -.4204 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6783 .5295 .5915 .2064 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6818 .5367 .5972 .3621 20 LYS 20 -2.2985 -2.4344 999.9900 .2495 .7460 -.6976 .6771 .1445 .3664 -.3809 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6820 .5333 .5952 .1563 22 LEU 22 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6817 .1537 .3737 -.3790 23 GLU 23 -.5863 -.2670 999.9900 -1.0323 .6899 -.2989 .6704 .5223 .5840 -.0005 24 ILE 24 .0813 -.1188 999.9900 999.9900 .6034 .1886 .4752 .0455 .2245 .2173 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5377 -.3805 .0021 .2453 26 LEU 26 -.5228 -2.3037 999.9900 999.9900 .9565 -.6233 .6778 .1589 .3751 -.2067 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5835 .4755 .5235 .4764 28 PHE 28 -1.7494 -2.8600 999.9900 999.9900 .7573 -1.2840 .6781 .1122 .3480 -.6123 29 ASN 29 1.3908 -.0726 999.9900 999.9900 .7518 .6900 .6779 .3854 .5073 .6267 30 GLU 30 -.4919 -1.2470 999.9900 .3501 .6899 -.1747 .6786 .5153 .5834 .0825 31 TYR 31 -.0083 -3.5861 999.9900 999.9900 .5630 -1.0105 .6768 -.1947 .1684 -.5099 32 PHE 32 -3.6149 -1.2830 999.9900 999.9900 .7573 -1.3802 .4965 .0987 .2645 -.7091 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5503 -.3579 .0205 .2541 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4688 .3173 .3804 .2722 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5395 -.3969 -.0067 .2530 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4883 .0932 .2578 -.8946 37 PRO 37 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5304 -.3783 .0003 .1534 38 ILE 38 .3698 -1.4972 999.9900 999.9900 .6034 -.1747 .6584 .0485 .3026 .0366 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6618 -.2380 .1369 -.1161 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6527 .1318 .3488 .0192 41 ASP 41 -.8144 -.7502 999.9900 999.9900 .8104 -.2514 .6699 .3742 .4974 .0580 42 LEU 42 -.1655 .0414 999.9900 999.9900 .9565 .2775 .6804 .1529 .3727 .3331 43 LEU 43 .0291 -2.4128 999.9900 999.9900 .9565 -.4757 .6760 .1643 .3775 -.1174 44 ASP 44 -1.5212 -2.1980 999.9900 999.9900 .8104 -.9696 .6827 .3851 .5091 -.3682 45 TYR 45 -3.6999 -.4266 999.9900 999.9900 .5630 -1.1878 .6752 -.1853 .1732 -.6147 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6737 .5318 .5909 -.4160 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5791 .4631 .5147 -.1569 48 ARG 48 -.5733 -1.5080 999.9900 .1593 .8581 -.1809 .6787 .5165 .5841 .0415 49 SER 49 -.0526 999.9900 .3727 999.9900 .6705 .3302 .6704 .5323 .5898 .4387 50 TRP 50 -.5632 -.6490 999.9900 999.9900 .9378 -.0915 .6712 .1911 .3911 .1176 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6583 -.2630 .1209 .0311 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6629 .1232 .3481 .0606 53 ARG 53 -.6502 -2.3766 999.9900 1.0005 .8581 -.0335 .6800 .5141 .5833 .1466 54 MET 54 -.1902 -.1900 999.9900 .9587 .5203 .2747 .6669 .5180 .5800 .3806 55 LYS 55 -.8267 .4603 999.9900 -.4035 .7460 -.0855 .6831 .1606 .3783 .0595 56 LYS 56 -.3543 -.9203 999.9900 -.4035 .7460 -.2671 .6737 .1493 .3678 -.0732 57 ARG 57 -1.3391 -2.0954 999.9900 1.0856 .8581 -.0811 .6778 .5151 .5829 .1125 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .5668 .4601 .5076 .2001 59 GLU 59 -.7734 -1.9198 999.9900 -1.0323 .6899 -.7589 .6757 .5248 .5877 -.3058 60 LYS 60 -.3038 -.5094 999.9900 .6906 .7460 .2628 .6732 .1489 .3673 .3051 61 VAL 61 -.0463 999.9900 .5873 999.9900 .7810 .4407 .6576 .1189 .3434 .4197 62 PHE 62 -.3916 .2821 999.9900 999.9900 .7573 .2159 .6745 .1011 .3400 .2847 63 LEU 63 -.7582 -2.5464 999.9900 999.9900 .9565 -.7827 .6770 .1575 .3740 -.3027 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6581 -.2707 .1163 -.8505 65 VAL 65 -1.2071 999.9900 .9224 999.9900 .7810 .1654 .6596 .1198 .3447 .2551 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5891 .4825 .5299 -.1496 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6772 .1942 .3955 -.4538 68 GLU 68 .4426 -2.8418 999.9900 .3501 .6899 -.3398 .6783 .5187 .5852 -.0270 69 ASN 69 1.1272 -1.5725 999.9900 999.9900 .7518 .1022 .6818 .3867 .5097 .2750 70 PHE 70 .8041 -.6308 999.9900 999.9900 .7573 .3102 .6724 .1099 .3443 .3426 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6621 .1157 .3434 .3053 72 LYS 72 .6780 -.5490 999.9900 -.4035 .7460 .0136 .6796 .1522 .3720 .1285 73 ASP 73 .9921 -1.9171 999.9900 999.9900 .8104 -.0382 .6774 .3823 .5053 .1890 74 ASN 74 .2400 -2.0766 999.9900 999.9900 .7518 -.3616 .6720 .3783 .5007 -.0069 75 ASN 75 -3.4329 -.5828 999.9900 999.9900 .7518 -1.0880 .6720 .3781 .5005 -.4428 76 LEU 76 -.7230 .2036 999.9900 999.9900 .9565 .1457 .6745 .1674 .3787 .2558 77 GLU 77 -1.3743 -1.3804 999.9900 -1.0323 .6899 -.7743 .6784 .5265 .5898 -.3154 78 ASP 78 -1.5212 -2.6388 999.9900 999.9900 .8104 -1.1165 .6801 .3804 .5053 -.4578 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5929 .4692 .5242 -.2805 80 LYS 80 -.7069 .7020 999.9900 .6506 .7460 .4085 .6683 .1594 .3714 .4100 81 TYR 81 .2641 .3615 999.9900 999.9900 .5630 .3962 .6729 -.1751 .1783 .3373 82 LEU 82 .1006 -3.3760 999.9900 999.9900 .9565 -.7730 .6762 .1466 .3673 -.2992 83 GLN 83 -.1966 -1.2219 999.9900 1.3059 .5113 .0997 .6829 .5254 .5910 .2678 84 PHE 84 -.2457 .0967 999.9900 999.9900 .7573 .2028 .6748 .1048 .3423 .2776 85 ILE 85 -.0022 -2.4201 999.9900 999.9900 .6034 -.6063 .6647 .0472 .3045 -.2214 86 TYR 86 .5758 -1.3246 999.9900 999.9900 .5630 -.0620 .6818 -.1730 .1831 .0646 87 ASP 87 -1.9072 -2.0001 999.9900 999.9900 .8104 -1.0323 .6787 .3729 .5003 -.4091 88 ARG 88 -2.9267 -1.5080 999.9900 .1593 .8581 -.6516 .6793 .5216 .5873 -.2939 89 ASP 89 -3.3417 -1.7105 999.9900 999.9900 .8104 -1.4139 .6738 .3814 .5032 -.6373 90 ARG 90 -1.7561 -.2334 999.9900 .1593 .8581 -.1626 .6794 .5195 .5861 .0552 91 THR 91 -.4672 999.9900 -.8810 999.9900 .4476 -.3002 .6609 -.2580 .1248 -.0996 92 PHE 92 .2013 -.5590 999.9900 999.9900 .7573 .1332 .6738 .0956 .3366 .2338 93 TYR 93 .2641 -2.0830 999.9900 999.9900 .5630 -.4186 .6786 -.1876 .1733 -.1530 94 VAL 94 -.6656 999.9900 -.2457 999.9900 .7810 -.0434 .6533 .1205 .3425 .1287 95 ILE 95 -.7007 .9074 999.9900 999.9900 .6034 .2700 .6551 .0437 .2985 .3018 96 ILE 96 .3059 -.8802 999.9900 999.9900 .6034 .0097 .6534 .0439 .2979 .1453 97 TYR 97 -.0287 .8463 999.9900 999.9900 .5630 .4602 .6725 -.1815 .1743 .3743 98 GLY 98 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5868 .4731 .5236 .0174 99 HIS 99 -1.4902 -3.1083 999.9900 999.9900 .6686 -1.3100 .6801 .3231 .4719 -.5853 100 ASN 100 -2.3558 -1.7113 999.9900 999.9900 .7518 -1.1051 .6754 .3853 .5062 -.4509 101 MET 101 -1.3694 -2.5481 999.9900 .9587 .5203 -.6096 .6739 .5234 .5861 -.2069 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6771 .2473 .4315 .3514 Means: -.6593 -1.4890 -.4617 .2224 .7095 -.2961 .6517 .2112 .3956 -.0162 2.00 analyzed_20