1 GLU 1 999.9900 -1.9198 999.9900 1.1588 .6899 -.0237 .6733 .5088 .5836 .2222 2 ALA 2 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6644 .3215 .4644 -.2352 3 GLU 3 -3.2255 -.6748 999.9900 -1.0323 .6899 -1.0607 .6777 .5260 .5892 -.5065 4 VAL 4 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6601 .1224 .3465 -.7712 5 HIS 5 -.9818 -3.1083 999.9900 999.9900 .6686 -1.1405 .6785 .3238 .4716 -.4838 6 ASN 6 -2.5793 -3.3254 999.9900 999.9900 .7518 -1.7176 .6749 .3711 .4977 -.8214 7 GLN 7 -2.2003 -.7946 999.9900 1.3059 .5113 -.2944 .6775 .5221 .5868 .0036 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6768 .1456 .3669 -.3347 9 GLU 9 -.4497 -2.8418 999.9900 1.1588 .6899 -.3607 .6728 .5208 .5841 -.0415 10 ILE 10 -.1366 .2838 999.9900 999.9900 .6034 .2502 .6574 .0472 .3014 .2910 11 LYS 11 -.1919 -.4196 999.9900 -.4035 .7460 -.1345 .6762 .1681 .3798 .0246 12 PHE 12 .0490 .6915 999.9900 999.9900 .7573 .4993 .6765 .0936 .3365 .4536 13 ARG 13 -.4439 -2.8571 999.9900 1.0856 .8581 -.0544 .6751 .5187 .5839 .1317 14 LEU 14 -1.2495 -3.3760 999.9900 999.9900 .9565 -1.2230 .6758 .1554 .3722 -.5676 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6575 -.2398 .1341 .0929 16 ASP 16 .0771 -2.0928 999.9900 999.9900 .8104 -.4018 .6745 .3699 .4968 -.0322 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5857 .4742 .5238 .6186 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6771 .5330 .5930 .2829 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6801 .3818 .5061 -.3377 20 ILE 20 .2593 -2.6526 999.9900 999.9900 .6034 -.5966 .6608 .0506 .3049 -.2157 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3486 .4753 .4190 .0208 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5380 -.3590 .0148 .2508 23 LYS 23 -.3414 -1.8181 999.9900 -.4035 .7460 -.4441 .6779 .1580 .3746 -.1978 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6737 .3150 .4644 .2501 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4760 .1025 .2582 .1213 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5410 -.3697 .0098 .2602 27 ASP 27 .2994 -3.7306 999.9900 999.9900 .8104 -.8736 .6783 .3796 .5041 -.3126 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6663 .3219 .4654 .2148 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6614 -.2654 .1208 -.0522 30 THR 30 -.0745 999.9900 -.2947 999.9900 .4476 .0261 .6638 -.2690 .1197 .0946 31 VAL 31 -1.6906 999.9900 .4980 999.9900 .7810 -.1372 .6586 .1242 .3469 .0742 32 SER 32 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6703 .5311 .5891 .4495 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6720 .3326 .4740 .2881 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6715 .1611 .3738 -.1417 35 LYS 35 1.2214 -1.0793 999.9900 -.4035 .7460 .0162 .6818 .1494 .3712 .1303 36 GLU 36 .8604 -1.0407 999.9900 -1.0323 .6899 -.1307 .6807 .5245 .5896 .1138 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6611 -.2602 .1237 .1625 38 VAL 38 .5660 999.9900 1.0696 999.9900 .7810 .8055 .6619 .1163 .3436 .6389 39 ILE 39 1.0115 -1.3043 999.9900 999.9900 .6034 .1035 .6529 .0441 .2977 .2015 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6817 .5239 .5896 .4052 41 GLU 41 -.2326 -2.1111 999.9900 1.1588 .6899 -.1238 .6830 .5168 .5861 .1175 42 TRP 42 .1017 -.4963 999.9900 999.9900 .9378 .1810 .4849 .2039 .3210 .2464 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5347 -.3441 .0220 -.1933 44 ARG 44 .2784 -1.1946 999.9900 .5548 .8581 .2103 .6766 .5119 .5805 .3200 45 GLU 45 -.1289 -.3402 999.9900 -1.0323 .6899 -.2029 .6765 .5213 .5860 .0644 46 LYS 46 -3.5196 -1.8181 999.9900 -.4035 .7460 -1.0797 .6784 .1534 .3722 -.6524 47 GLU 47 -1.0469 -.2670 999.9900 -1.0323 .6899 -.4141 .6773 .5181 .5844 -.0768 48 ASN 48 -.9968 -.1757 999.9900 999.9900 .7518 -.1402 .6742 .3708 .4972 .1249 49 GLY 49 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .3528 .4728 .4195 .2535 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5595 -.3648 .0203 -.1305 51 LYS 51 -3.5196 -.9203 999.9900 -.4035 .7460 -.9002 .6801 .1573 .3751 -.5234 52 THR 52 -.1839 999.9900 -.8810 999.9900 .4476 -.2058 .6592 -.2575 .1244 -.0431 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6583 .1330 .3519 .2119 54 LYS 54 -.0957 -.7093 999.9900 -.4035 .7460 -.1732 .6780 .1584 .3749 -.0042 55 GLU 55 -1.0629 1.0212 999.9900 -1.0323 .6899 -.0960 .6735 .5197 .5838 .1349 56 VAL 56 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6622 .1192 .3455 .1746 57 LYS 57 -.3286 -1.3520 999.9900 .2868 .7460 -.0722 .6772 .1652 .3785 .0688 58 LEU 58 .0986 -2.0611 999.9900 999.9900 .9565 -.3353 .6774 .1562 .3734 -.0345 59 ILE 59 .2866 -1.7901 999.9900 999.9900 .6034 -.3000 .6585 .0554 .3067 -.0372 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6743 .5416 .5969 -.0082 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6679 .3164 .4628 -.0058 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5900 .4843 .5313 .6258 63 LYS 63 -.2023 -1.1755 999.9900 -.4035 .7460 -.2878 .6730 .1478 .3666 -.0883 64 VAL 64 -.4485 999.9900 -.5532 999.9900 .7810 -.0735 .6650 .1206 .3474 .1130 65 LEU 65 -.0411 -2.9612 999.9900 999.9900 .9565 -.6819 .6788 .1524 .3717 -.2429 66 GLU 66 -.7937 -1.1358 999.9900 -1.0323 .6899 -.5680 .6763 .5177 .5838 -.1797 67 ASN 67 .1528 -1.2512 999.9900 999.9900 .7518 -.1155 .6742 .3768 .5007 .1409 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6763 .5321 .5922 .2563 69 LYS 69 -.8956 -.1697 999.9900 -.4035 .7460 -.2253 .6789 .1627 .3778 -.0407 70 THR 70 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6515 -.2487 .1264 -.0831 71 VAL 71 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6562 .1175 .3419 .2404 72 LYS 72 .9480 -1.1257 999.9900 .1140 .7460 .1593 .6718 .1551 .3704 .2319 73 ASP 73 .2251 -2.4630 999.9900 999.9900 .8104 -.4758 .6799 .3849 .5078 -.0725 74 TYR 74 -1.2852 -.5584 999.9900 999.9900 .5630 -.4269 .6797 -.1843 .1757 -.1570 75 ARG 75 -1.5415 -2.8571 999.9900 1.0005 .8581 -.3079 .6753 .5103 .5790 -.0506 76 SER 76 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .4852 .5219 .5066 .1892 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5500 -.3788 .0082 -.8159 78 VAL 78 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6615 .1251 .3486 -.4150 79 SER 79 -3.7598 999.9900 .6576 999.9900 .6705 -.8105 .6743 .5390 .5954 -.2437 80 ASN 80 -1.5699 -2.3357 999.9900 999.9900 .7518 -1.0513 .6723 .3865 .5056 -.4190 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6752 .1624 .3761 -.9874 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6663 .3321 .4714 -.4301 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5767 .4677 .5162 -.4134 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6655 .3192 .4635 .3773 85 VAL 85 -1.1433 999.9900 -1.0788 999.9900 .7810 -.4803 .6573 .1295 .3494 -.1309 86 THR 86 -.0475 999.9900 -.8810 999.9900 .4476 -.1603 .6570 -.2467 .1299 -.0141 87 THR 87 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6521 -.2472 .1275 .1503 88 MET 88 -.3657 -2.5481 999.9900 .9587 .5203 -.3587 .6743 .5241 .5867 -.0394 89 HIS 89 -.2681 -.3484 999.9900 999.9900 .6686 .0174 .6736 .3255 .4705 .2102 90 VAL 90 -.5494 999.9900 .2799 999.9900 .7810 .1705 .6604 .1227 .3467 .2589 91 ILE 91 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6576 .0316 .2924 -.2539 92 ILE 92 -.1621 -1.0628 999.9900 999.9900 .6034 -.2072 .6556 .0457 .2998 .0159 93 GLN 93 -1.6601 -1.0287 999.9900 1.3059 .5113 -.2179 .6747 .5292 .5898 .0554 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4901 .3180 .3897 .1482 95 PRO 95 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5573 -.3633 .0203 .2079 96 VAL 96 -.3818 999.9900 1.1539 999.9900 .7810 .5177 .6496 .1212 .3413 .4648 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6550 -.2665 .1175 -.8503 98 GLU 98 -1.2516 -1.0407 999.9900 -1.0323 .6899 -.6587 .6807 .5261 .5905 -.2380 99 LYS 99 -3.5196 -2.1617 999.9900 .2495 .7460 -.8872 .6717 .1506 .3677 -.5163 100 GLU 100 -3.2255 -1.1358 999.9900 -1.0323 .6899 -1.1760 .6828 .5254 .5910 -.5826 101 LYS 101 999.9900 -2.4344 999.9900 -.0397 999.9900 -.8380 .6742 -.0408 .2656 -.3761 Means: -.7517 -1.5832 -.5339 -.0265 .6979 -.3301 .6481 .2064 .3911 -.0395 2.00 analyzed_1