1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6740 .5091 .5841 .0228 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6627 .3303 .4688 -.1755 3 ASP 3 -.3819 .2812 999.9900 999.9900 .8104 .2365 .6727 .3790 .5014 .3523 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6566 -.2540 .1254 -.8475 5 GLY 5 -1.7079 999.9900 999.9900 999.9900 .7883 -.4598 .5807 .4641 .5159 .0313 6 GLU 6 -2.3953 -2.8418 999.9900 -1.0323 .6899 -1.3949 .6721 .5160 .5810 -.7319 7 VAL 7 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6568 .1133 .3398 .0313 8 GLN 8 -.6834 -2.6982 999.9900 1.3059 .5113 -.3911 .6710 .5142 .5795 -.0632 9 PHE 9 -.0559 -4.3038 999.9900 999.9900 .7573 -1.2008 .6772 .0961 .3382 -.5658 10 MET 10 -.3503 -.5441 999.9900 .9587 .5203 .1461 .6766 .5183 .5843 .2966 11 LYS 11 -.6340 -2.1617 999.9900 .2868 .7460 -.2952 .4809 .1545 .2905 -.1201 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5524 -.3603 .0200 .1634 13 PHE 13 .0058 -4.3038 999.9900 999.9900 .7573 -1.1802 .6790 .1093 .3467 -.5505 14 ILE 14 .1597 -1.6252 999.9900 999.9900 .6034 -.2874 .6538 .0409 .2963 -.0335 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6667 .5265 .5849 .2574 16 GLU 16 .8171 -1.7714 999.9900 -1.0323 .6899 -.3242 .6796 .5236 .5886 -.0156 17 LYS 17 -1.4779 -1.8181 999.9900 -.0397 .7460 -.5259 .6782 .1475 .3686 -.2577 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6773 .5296 .5912 .2601 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6706 .5250 .5857 .2620 20 LYS 20 -2.2985 -.6840 999.9900 -.4035 .7460 -.6087 .6774 .1530 .3715 -.3161 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6744 .5340 .5925 .1549 22 LEU 22 -.3112 -2.9612 999.9900 999.9900 .9565 -.7720 .6784 .1597 .3758 -.2956 23 GLU 23 -.7347 -1.4588 999.9900 -1.0323 .6899 -.6340 .6794 .5225 .5879 -.2223 24 ILE 24 .2593 -1.3617 999.9900 999.9900 .6034 -.1663 .4778 .0441 .2248 .0046 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5370 -.3635 .0117 .2494 26 LEU 26 -.5228 -1.5262 999.9900 999.9900 .9565 -.3642 .6795 .1671 .3806 -.0492 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5821 .4679 .5186 .6456 28 PHE 28 .0766 -3.3183 999.9900 999.9900 .7573 -.8281 .6744 .1088 .3445 -.3402 29 ASN 29 .6990 -1.8756 999.9900 999.9900 .7518 -.1416 .6741 .3812 .5033 .1261 30 GLU 30 .0468 -2.8418 999.9900 -1.0323 .6899 -.7844 .6723 .5221 .5847 -.3238 31 TYR 31 .3338 -1.6488 999.9900 999.9900 .5630 -.2507 .6774 -.1803 .1771 -.0510 32 PHE 32 -3.6149 .0697 999.9900 999.9900 .7573 -.9293 .4922 .0945 .2602 -.4402 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5351 -.3735 .0051 .2464 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4798 .3208 .3871 .2758 35 PRO 35 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5429 -.3750 .0075 .2014 36 PHE 36 -1.5081 -1.8165 999.9900 999.9900 .7573 -.8558 .4852 .0947 .2574 -.3975 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5453 -.3660 .0137 .2042 38 ILE 38 -1.5441 -1.4972 999.9900 999.9900 .6034 -.8127 .6559 .0429 .2983 -.3478 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6540 -.2617 .1198 -.1700 40 VAL 40 -.0523 999.9900 .1416 999.9900 .7810 .2901 .6512 .1237 .3435 .3291 41 ASP 41 -1.0681 -1.3712 999.9900 999.9900 .8104 -.5430 .6792 .3862 .5083 -.1127 42 LEU 42 -.4930 -.1732 999.9900 999.9900 .9565 .0968 .6690 .1590 .3715 .2237 43 LEU 43 .0291 -3.3760 999.9900 999.9900 .9565 -.7968 .6757 .1586 .3741 -.3112 44 ASP 44 -1.3478 -1.0518 999.9900 999.9900 .8104 -.5297 .6769 .3823 .5051 -.1060 45 TYR 45 -3.6999 -2.3638 999.9900 999.9900 .5630 -1.8336 .6788 -.1762 .1800 -.9996 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6787 .5316 .5929 -.5189 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5768 .4687 .5167 -.4131 48 ARG 48 -.4155 -2.3766 999.9900 .1593 .8581 -.3231 .6719 .5214 .5841 -.0603 49 SER 49 .0184 999.9900 .6576 999.9900 .6705 .4488 .6760 .5347 .5936 .5114 50 TRP 50 -.5632 -3.3859 999.9900 999.9900 .9378 -1.0037 .6766 .1953 .3958 -.4279 51 THR 51 .2184 999.9900 -.8810 999.9900 .4476 -.0717 .6536 -.2604 .1204 .0356 52 VAL 52 -.0145 999.9900 .9224 999.9900 .7810 .5630 .6584 .1177 .3430 .4930 53 ARG 53 -.5160 -1.8960 999.9900 .1593 .8581 -.2470 .6721 .5081 .5765 -.0079 54 MET 54 -.1025 .1642 999.9900 .9587 .5203 .3852 .6777 .5181 .5846 .4561 55 LYS 55 -.6340 -1.4228 999.9900 -.4035 .7460 -.4236 .6779 .1371 .3625 -.1861 56 LYS 56 -.3543 -1.2293 999.9900 -.4035 .7460 -.3289 .6764 .1583 .3742 -.1157 57 ARG 57 -1.0149 -2.8571 999.9900 .1593 .8581 -.5391 .6763 .5111 .5800 -.2154 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5831 .4733 .5221 -.2067 59 GLU 59 -1.0162 .6303 999.9900 -1.0323 .6899 -.1821 .6796 .5262 .5901 .0796 60 LYS 60 -.3038 -.2695 999.9900 -.4035 .7460 -.1269 .6767 .1446 .3663 .0267 61 VAL 61 -.0463 999.9900 .7395 999.9900 .7810 .4914 .6558 .1107 .3378 .4481 62 PHE 62 -.3916 -.6014 999.9900 999.9900 .7573 -.0786 .6754 .0936 .3360 .1067 63 LEU 63 -.7582 -2.5464 999.9900 999.9900 .9565 -.7827 .6798 .1625 .3780 -.3012 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6555 -.2529 .1256 -.8475 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6672 .1285 .3530 .0248 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5830 .4684 .5193 -.1546 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6823 .1936 .3972 -.4529 68 GLU 68 .6116 -.9977 999.9900 -1.0323 .6899 -.1821 .6804 .5299 .5926 .0803 69 ASN 69 1.3908 .8320 999.9900 999.9900 .7518 .9916 .6764 .3835 .5055 .8069 70 PHE 70 .8041 -2.6964 999.9900 999.9900 .7573 -.3783 .6708 .0921 .3332 -.0744 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6599 .1234 .3470 .2938 72 LYS 72 .6780 -.5490 999.9900 -.4035 .7460 .0136 .6718 .1467 .3655 .1266 73 ASP 73 .9921 -1.4992 999.9900 999.9900 .8104 .1011 .6804 .3860 .5087 .2739 74 ASN 74 -.1320 -2.3357 999.9900 999.9900 .7518 -.5720 .6773 .3703 .4982 -.1337 75 ASN 75 -2.1824 -1.0148 999.9900 999.9900 .7518 -.8151 .6741 .3799 .5025 -.2783 76 LEU 76 -1.0000 -2.4128 999.9900 999.9900 .9565 -.8188 .6779 .1431 .3659 -.3271 77 GLU 77 -1.2977 -1.6501 999.9900 .3501 .6899 -.4770 .6726 .5131 .5796 -.1203 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6861 .3920 .5145 -.6727 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5849 .4708 .5215 -.4106 80 LYS 80 -.5681 1.0562 999.9900 -.4035 .7460 .0854 .6749 .1589 .3739 .1801 81 TYR 81 .4043 -.3906 999.9900 999.9900 .5630 .1922 .6768 -.1940 .1688 .2119 82 LEU 82 -.1655 -2.5464 999.9900 999.9900 .9565 -.5851 .6777 .1545 .3725 -.1846 83 GLN 83 -.1966 -1.6169 999.9900 1.3059 .5113 .0009 .6730 .5193 .5833 .1993 84 PHE 84 -.0803 -.9296 999.9900 999.9900 .7573 -.0842 .6790 .0863 .3333 .1025 85 ILE 85 -.0918 .4202 999.9900 999.9900 .6034 .3106 .6554 .0441 .2988 .3262 86 TYR 86 .0406 -1.2283 999.9900 999.9900 .5630 -.2083 .6810 -.1649 .1876 -.0217 87 ASP 87 -1.2415 -1.6521 999.9900 999.9900 .8104 -.6944 .6794 .3775 .5033 -.2053 88 ARG 88 -1.4842 -.4990 999.9900 .5548 .8581 -.0031 .6791 .5189 .5857 .1689 89 ASP 89 -2.5838 -1.0785 999.9900 999.9900 .8104 -.9507 .6820 .3980 .5163 -.3544 90 ARG 90 -1.7561 -.2334 999.9900 .9503 .8581 .1538 .6794 .5196 .5862 .2812 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6597 -.2535 .1270 -.0084 92 PHE 92 .1097 -1.5726 999.9900 999.9900 .7573 -.2352 .6731 .0969 .3370 .0129 93 TYR 93 .3730 -.2699 999.9900 999.9900 .5630 .2220 .6788 -.1808 .1774 .2328 94 VAL 94 .3372 999.9900 -.0276 999.9900 .7810 .3636 .6671 .1112 .3429 .3738 95 ILE 95 -1.5441 -1.5793 999.9900 999.9900 .6034 -.8400 .6588 .0471 .3020 -.3628 96 ILE 96 .3059 -.7023 999.9900 999.9900 .6034 .0690 .6512 .0368 .2928 .1790 97 TYR 97 -.0495 .8492 999.9900 999.9900 .5630 .4542 .6792 -.1676 .1852 .3748 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5886 .4727 .5242 -.2055 99 HIS 99 -.7615 -3.1083 999.9900 999.9900 .6686 -1.0671 .6784 .3270 .4734 -.4391 100 ASN 100 -3.4329 -1.1653 999.9900 999.9900 .7518 -1.2821 .6755 .3717 .4983 -.5598 101 MET 101 -.3503 -2.5481 999.9900 .9587 .5203 -.3549 .6808 .5254 .5902 -.0355 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6741 .2456 .4293 .3498 Means: -.7270 -1.5597 -.4117 .0057 .7095 -.3544 .6516 .2109 .3953 -.0523 2.00 analyzed_2