1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6698 .4994 .5768 .0200 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6677 .3038 .4554 -.4369 3 ASP 3 -.4309 -.6817 999.9900 999.9900 .8104 -.1007 .6730 .3763 .4999 .1494 4 THR 4 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6527 -.2525 .1247 -.1388 5 GLY 5 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5881 .4833 .5299 .4397 6 GLU 6 -1.3222 -.9977 999.9900 -1.0323 .6899 -.6656 .6762 .5156 .5825 -.2451 7 VAL 7 -.3161 999.9900 -.5532 999.9900 .7810 -.0294 .6591 .1174 .3431 .1377 8 GLN 8 -.4076 -1.1512 999.9900 1.3059 .5113 .0646 .6770 .5235 .5874 .2431 9 PHE 9 .2569 -.1636 999.9900 999.9900 .7573 .2835 .6800 .1051 .3446 .3271 10 MET 10 -.0824 -.5067 999.9900 .9587 .5203 .2225 .6772 .5234 .5875 .3484 11 LYS 11 -.7523 -2.9005 999.9900 -.4035 .7460 -.7428 .4929 .1545 .2955 -.4381 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5468 -.3628 .0162 .2520 13 PHE 13 .1032 -3.6820 999.9900 999.9900 .7573 -.9405 .6759 .0995 .3397 -.4092 14 ILE 14 .3543 -.1471 999.9900 999.9900 .6034 .2702 .6604 .0430 .3003 .3028 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6743 .5298 .5900 .2596 16 GLU 16 .8171 -1.9198 999.9900 .3501 .6899 -.0157 .6788 .5224 .5876 .1897 17 LYS 17 -.9253 -.9566 999.9900 .1731 .7460 -.1580 .6754 .1617 .3757 .0068 18 SER 18 -.5255 999.9900 .3727 999.9900 .6705 .1726 .6806 .5381 .5975 .3473 19 SER 19 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6745 .5311 .5908 .3717 20 LYS 20 -3.5196 -1.3520 999.9900 -.4035 .7460 -.9865 .6778 .1469 .3681 -.5868 21 SER 21 -.2386 999.9900 -.7153 999.9900 .6705 -.0945 .6759 .5332 .5926 .1851 22 LEU 22 -1.0889 -3.3760 999.9900 999.9900 .9565 -1.1695 .6739 .1591 .3736 -.5351 23 GLU 23 -.5440 -.5796 999.9900 .3501 .6899 -.0209 .6761 .5279 .5897 .1867 24 ILE 24 -.1408 -.0177 999.9900 999.9900 .6034 .1483 .4754 .0573 .2315 .1955 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5457 -.3548 .0204 .1631 26 LEU 26 -1.3832 -3.3760 999.9900 999.9900 .9565 -1.2676 .6766 .1612 .3759 -.5930 27 GLY 27 .0328 999.9900 999.9900 999.9900 .7883 .4105 .5774 .4720 .5189 .4676 28 PHE 28 -1.7494 -2.2382 999.9900 999.9900 .7573 -1.0767 .6816 .1118 .3492 -.4874 29 ASN 29 1.1272 -2.0766 999.9900 999.9900 .7518 -.0658 .6744 .3726 .4984 .1699 30 GLU 30 .0468 -1.7714 999.9900 1.1588 .6899 .0310 .6804 .5179 .5856 .2204 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6771 -.1725 .1815 -.6401 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .5001 .0964 .2646 -.5507 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5431 -.3782 .0056 .2472 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4639 .3181 .3789 .2711 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5589 -.3571 .0246 .2678 36 PHE 36 -1.3242 -.9090 999.9900 999.9900 .7573 -.4920 .4746 .1051 .2591 -.1792 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5529 -.3752 .0116 .2038 38 ILE 38 -.1493 -.1188 999.9900 999.9900 .6034 .1118 .6640 .0353 .2973 .2069 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6607 -.2451 .1323 -.1177 40 VAL 40 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6523 .1105 .3363 .0560 41 ASP 41 -.6569 -2.3194 999.9900 999.9900 .8104 -.7220 .6751 .3777 .5016 -.2226 42 LEU 42 .0291 .9108 999.9900 999.9900 .9565 .6321 .6762 .1614 .3759 .5468 43 LEU 43 -.3896 -2.5464 999.9900 999.9900 .9565 -.6598 .6752 .1568 .3728 -.2295 44 ASP 44 -1.3478 -.3095 999.9900 999.9900 .8104 -.2823 .6784 .3771 .5026 .0417 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6752 -.1986 .1655 -1.3715 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6772 .5246 .5881 -.5206 47 GLY 47 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5821 .4768 .5236 -.1114 48 ARG 48 -.9903 -.8157 999.9900 .7862 .8581 .1249 .6740 .5292 .5896 .2611 49 SER 49 -.5771 999.9900 1.0592 999.9900 .6705 .3842 .6822 .5379 .5980 .4745 50 TRP 50 -.0034 -.0403 999.9900 999.9900 .9378 .2980 .6786 .1899 .3935 .3525 51 THR 51 .2328 999.9900 .4804 999.9900 .4476 .3869 .6541 -.2388 .1332 .3152 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6559 .1324 .3505 .0952 53 ARG 53 -.5160 -2.8571 999.9900 .1593 .8581 -.4393 .6749 .5238 .5868 -.1425 54 MET 54 -.7108 .1064 999.9900 .9587 .5203 .2186 .6744 .5273 .5886 .3461 55 LYS 55 -.1765 -1.6955 999.9900 -.4035 .7460 -.3866 .6718 .1542 .3699 -.1582 56 LYS 56 -.2075 -.7632 999.9900 -.4035 .7460 -.2063 .6729 .1559 .3713 -.0290 57 ARG 57 -1.7561 -1.3337 999.9900 .1593 .8581 -.3826 .6778 .5158 .5833 -.1028 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5889 .4798 .5282 .3142 59 GLU 59 -.6726 -2.8418 999.9900 -1.0323 .6899 -.9642 .6792 .5239 .5886 -.4423 60 LYS 60 -.1665 .0713 999.9900 -.4035 .7460 -.0312 .6811 .1483 .3703 .0962 61 VAL 61 .0815 999.9900 -.0276 999.9900 .7810 .2783 .6530 .1215 .3429 .3219 62 PHE 62 -.3916 -.4548 999.9900 999.9900 .7573 -.0297 .6791 .1061 .3449 .1392 63 LEU 63 -.2022 -2.9612 999.9900 999.9900 .9565 -.7356 .6756 .1601 .3749 -.2742 64 THR 64 -4.2065 999.9900 .0483 999.9900 .4476 -1.2369 .6578 -.2453 .1310 -.6596 65 VAL 65 -1.2071 999.9900 .8662 999.9900 .7810 .1467 .6584 .1154 .3417 .2428 66 GLY 66 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5801 .4690 .5183 -.4123 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6760 .1931 .3943 -.4543 68 GLU 68 .6116 -1.9198 999.9900 .3501 .6899 -.0670 .6815 .5210 .5878 .1557 69 ASN 69 1.3908 .7181 999.9900 999.9900 .7518 .9536 .6787 .3926 .5118 .7864 70 PHE 70 .8041 -.4798 999.9900 999.9900 .7573 .3606 .6843 .1017 .3445 .3735 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6571 .1103 .3381 .2906 72 LYS 72 .6780 -.9951 999.9900 1.1993 .7460 .5655 .6785 .1641 .3785 .5243 73 ASP 73 1.3227 -3.7306 999.9900 999.9900 .8104 -.5325 .6750 .3854 .5060 -.1074 74 ASN 74 .0188 -2.0766 999.9900 999.9900 .7518 -.4353 .6771 .3846 .5065 -.0489 75 ASN 75 -2.1824 -.5828 999.9900 999.9900 .7518 -.6711 .6782 .3756 .5017 -.1919 76 LEU 76 -1.7747 -3.3760 999.9900 999.9900 .9565 -1.3981 .6783 .1540 .3724 -.6724 77 GLU 77 -1.3743 -2.8418 999.9900 1.7325 .6899 -.4484 .6789 .5173 .5846 -.0996 78 ASP 78 -.9954 -1.9171 999.9900 999.9900 .8104 -.7007 .6733 .3841 .5046 -.2089 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5779 .4664 .5159 -.2849 80 LYS 80 -.7762 .2358 999.9900 .1140 .7460 .0867 .6802 .1641 .3791 .1826 81 TYR 81 .3730 -2.4815 999.9900 999.9900 .5630 -.5152 .6814 -.1863 .1752 -.2101 82 LEU 82 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .6781 .1492 .3695 -.3564 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6774 .5199 .5855 .0200 84 PHE 84 -.2457 -3.0602 999.9900 999.9900 .7573 -.8495 .6820 .1054 .3457 -.3522 85 ILE 85 .2768 -3.0500 999.9900 999.9900 .6034 -.7233 .6554 .0364 .2943 -.2956 86 TYR 86 .0406 -.9018 999.9900 999.9900 .5630 -.0994 .6791 -.1816 .1770 .0399 87 ASP 87 -1.2415 -.9768 999.9900 999.9900 .8104 -.4693 .6694 .3894 .5061 -.0698 88 ARG 88 -1.4842 -1.8960 999.9900 .1593 .8581 -.4407 .6720 .5201 .5834 -.1445 89 ASP 89 -2.5838 -1.0785 999.9900 999.9900 .8104 -.9507 .6775 .3820 .5051 -.3585 90 ARG 90 -1.3391 -1.8960 999.9900 .1593 .8581 -.4117 .6778 .5224 .5871 -.1226 91 THR 91 .5084 999.9900 -.2947 999.9900 .4476 .2204 .6584 -.2442 .1319 .2151 92 PHE 92 .0900 -.5590 999.9900 999.9900 .7573 .0961 .6752 .0890 .3332 .2105 93 TYR 93 -.0287 .8258 999.9900 999.9900 .5630 .4534 .6760 -.1822 .1754 .3708 94 VAL 94 -.1817 999.9900 .3968 999.9900 .7810 .3320 .6535 .1236 .3444 .3546 95 ILE 95 -.6113 -1.4972 999.9900 999.9900 .6034 -.5017 .6613 .0459 .3023 -.1596 96 ILE 96 .2593 -.9348 999.9900 999.9900 .6034 -.0241 .6507 .0422 .2957 .1241 97 TYR 97 -.0495 .2608 999.9900 999.9900 .5630 .2581 .6809 -.1735 .1825 .2563 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5896 .4756 .5262 -.0227 99 HIS 99 -.3228 -3.1083 999.9900 999.9900 .6686 -.9208 .6766 .3222 .4699 -.3527 100 ASN 100 -.7649 -.3237 999.9900 999.9900 .7518 -.1122 .6749 .3758 .5004 .1428 101 MET 101 -1.6625 -1.0247 999.9900 .9587 .5203 -.3021 .6799 .5205 .5869 -.0013 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6787 .2545 .4363 .3543 Means: -.6301 -1.5411 -.2833 .2592 .7095 -.2834 .6521 .2125 .3965 -.0080 2.00 analyzed_20