1 GLU 1 999.9900 -2.8418 999.9900 -1.0323 .6899 -1.0614 .6702 .5106 .5832 -.4007 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6683 .3199 .4651 -.3337 3 GLU 3 -3.2255 .3905 999.9900 -1.0323 .6899 -.7944 .6838 .5208 .5887 -.3288 4 VAL 4 -2.1543 999.9900 .2799 999.9900 .7810 -.3645 .6608 .1137 .3417 -.0638 5 HIS 5 -.0795 -3.1083 999.9900 999.9900 .6686 -.8397 .6737 .3265 .4712 -.3038 6 ASN 6 -.9015 .8320 999.9900 999.9900 .7518 .2274 .6781 .3924 .5115 .3506 7 GLN 7 -1.9302 -1.1512 999.9900 1.3059 .5113 -.3160 .6737 .5261 .5876 -.0107 8 LEU 8 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6795 .1455 .3680 -.2207 9 GLU 9 -.4857 -2.8418 999.9900 -1.0323 .6899 -.9175 .6797 .5245 .5892 -.4110 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6581 .0477 .3021 .3294 11 LYS 11 -.3038 -2.4344 999.9900 -.0397 .7460 -.4143 .6718 .1496 .3671 -.1786 12 PHE 12 .1032 -1.6624 999.9900 999.9900 .7573 -.2673 .6746 .0937 .3358 -.0067 13 ARG 13 -.4343 -1.8960 999.9900 1.3960 .8581 .2640 .6782 .5179 .5847 .3594 14 LEU 14 -.6213 -1.3818 999.9900 999.9900 .9565 -.3489 .6784 .1628 .3777 -.0411 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6624 -.2485 .1311 .0922 16 ASP 16 .0771 -3.1847 999.9900 999.9900 .8104 -.7657 .6788 .3889 .5097 -.2459 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5742 .4677 .5151 .6141 18 SER 18 .1980 999.9900 -.7153 999.9900 .6705 .0510 .6694 .5292 .5876 .2704 19 ASP 19 -1.3478 -2.3194 999.9900 999.9900 .8104 -.9523 .6765 .3846 .5062 -.3591 20 ILE 20 .0813 .9074 999.9900 999.9900 .6034 .5307 .6564 .0390 .2962 .4575 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3469 .4821 .4220 .0882 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5461 -.3776 .0073 .2482 23 LYS 23 -.3414 -2.9005 999.9900 -.4035 .7460 -.6606 .6774 .1510 .3703 -.3535 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6666 .3061 .4563 .2226 25 PHE 25 -.4973 -1.1403 999.9900 999.9900 .7573 -.2934 .4944 .0899 .2584 -.0592 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5487 -.3571 .0204 .2653 27 ASP 27 .2994 -.7152 999.9900 999.9900 .8104 .1315 .6671 .3739 .4960 .2871 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6663 .3341 .4725 .2944 29 THR 29 -.3748 999.9900 -.8810 999.9900 .4476 -.2694 .6611 -.2655 .1206 -.0825 30 THR 30 -.3748 999.9900 .4804 999.9900 .4476 .1844 .6597 -.2481 .1302 .1930 31 VAL 31 .1911 999.9900 .8055 999.9900 .7810 .5925 .6551 .1149 .3400 .5095 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6833 .5331 .5957 .4013 33 ALA 33 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6697 .3239 .4680 .5973 34 LEU 34 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .6730 .1529 .3696 -.1204 35 LYS 35 .8536 -.0727 999.9900 -.0397 .7460 .2895 .6719 .1587 .3725 .3254 36 GLU 36 .8171 -1.1891 999.9900 1.1588 .6899 .3692 .6759 .5226 .5865 .4459 37 THR 37 .8449 999.9900 -.2947 999.9900 .4476 .3326 .6572 -.2492 .1284 .2812 38 VAL 38 .9834 999.9900 .6672 999.9900 .7810 .8106 .6582 .1243 .3468 .6428 39 ILE 39 .4667 -.1471 999.9900 999.9900 .6034 .3077 .6653 .0437 .3027 .3264 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6675 .5323 .5886 .4040 41 GLU 41 -.6726 -1.3804 999.9900 -1.0323 .6899 -.5989 .6781 .5211 .5865 -.1994 42 TRP 42 -.3568 -.1373 999.9900 999.9900 .9378 .1479 .4862 .1855 .3108 .2231 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5463 -.3595 .0179 -.1942 44 ARG 44 .2784 -.1311 999.9900 .1593 .8581 .2648 .6726 .5079 .5765 .3578 45 GLU 45 .3258 -1.7714 999.9900 .3501 .6899 -.1014 .6738 .5242 .5866 .1321 46 LYS 46 -3.5196 -1.5020 999.9900 -.4035 .7460 -1.0165 .6823 .1593 .3772 -.6059 47 GLU 47 -1.9096 -1.2470 999.9900 -1.0323 .6899 -.8747 .6810 .5259 .5905 -.3820 48 ASN 48 -.6067 .0416 999.9900 999.9900 .7518 .0622 .6734 .3753 .4995 .2471 49 GLY 49 -.4622 999.9900 999.9900 999.9900 .7883 .1631 .3451 .4716 .4154 .2857 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5402 -.3849 .0006 .1982 51 LYS 51 -2.2985 -.7918 999.9900 .5761 .7460 -.2384 .6780 .1536 .3721 -.0515 52 THR 52 -.4045 999.9900 -.8810 999.9900 .4476 -.2793 .6541 -.2654 .1177 -.0899 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6629 .1155 .3436 .2093 54 LYS 54 .0195 -1.8181 999.9900 -.4035 .7460 -.3719 .6745 .1510 .3692 -.1477 55 GLU 55 -1.3222 -1.4588 999.9900 -1.0323 .6899 -.7808 .6707 .5123 .5783 -.3234 56 VAL 56 .0482 999.9900 -1.0788 999.9900 .7810 -.0832 .6593 .1179 .3435 .1055 57 LYS 57 -.3286 -2.1617 999.9900 .1140 .7460 -.3032 .6756 .1687 .3799 -.0960 58 LEU 58 -.0792 -2.4128 999.9900 999.9900 .9565 -.5118 .6823 .1690 .3829 -.1368 59 ILE 59 -.6113 .8237 999.9900 999.9900 .6034 .2719 .6551 .0383 .2953 .3018 60 SER 60 -.7180 999.9900 -.7153 999.9900 .6705 -.2543 .6769 .5330 .5930 .0894 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6675 .3196 .4646 -.0124 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5752 .4671 .5151 .5895 63 LYS 63 -.3099 -.9951 999.9900 .3546 .7460 .0301 .6738 .1528 .3699 .1396 64 VAL 64 -.4485 999.9900 .9224 999.9900 .7810 .4183 .6624 .1337 .3540 .4102 65 LEU 65 -.2246 -.8871 999.9900 999.9900 .9565 -.0517 .6808 .1502 .3713 .1352 66 GLU 66 -.7347 -1.9198 999.9900 .3501 .6899 -.4036 .6820 .5230 .5893 -.0683 67 ASN 67 .6639 -1.8756 999.9900 999.9900 .7518 -.1533 .6768 .3841 .5061 .1202 68 SER 68 .4533 999.9900 -.7153 999.9900 .6705 .1362 .6713 .5340 .5912 .3227 69 LYS 69 -.5681 -.8530 999.9900 .3240 .7460 -.0054 .6767 .1484 .3685 .1140 70 THR 70 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6596 -.2520 .1278 .0352 71 VAL 71 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6652 .1134 .3433 .1703 72 LYS 72 .6780 -2.4344 999.9900 -.0770 .7460 -.2329 .6694 .1689 .3774 -.0466 73 ASP 73 .2251 -2.6388 999.9900 999.9900 .8104 -.5344 .6791 .3812 .5053 -.1086 74 TYR 74 -1.0804 -.9671 999.9900 999.9900 .5630 -.4949 .6813 -.1784 .1798 -.1963 75 ARG 75 -.3214 -2.8571 999.9900 1.0005 .8581 -.0639 .6844 .5204 .5887 .1265 76 SER 76 -.1368 999.9900 -.7153 999.9900 .6705 -.0606 .4926 .5325 .5159 .1687 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5425 -.3514 .0210 .1632 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6563 .1305 .3496 -.7704 79 SER 79 .2875 999.9900 .6576 999.9900 .6705 .5385 .6763 .5237 .5872 .5631 80 ASN 80 -1.8173 -2.3357 999.9900 999.9900 .7518 -1.1337 .6727 .3792 .5015 -.4699 81 LEU 81 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .6728 .1499 .3678 -.9075 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6687 .3260 .4688 -.4310 83 GLY 83 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5819 .4710 .5203 -.0791 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6639 .3273 .4676 .1770 85 VAL 85 -1.1939 999.9900 -1.0788 999.9900 .7810 -.4972 .6576 .1119 .3393 -.1444 86 THR 86 .5084 999.9900 -.2947 999.9900 .4476 .2204 .6598 -.2544 .1265 .2133 87 THR 87 .4171 999.9900 .0483 999.9900 .4476 .3043 .6529 -.2535 .1242 .2625 88 MET 88 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6790 .5284 .5911 -.0212 89 HIS 89 -.4783 -.5551 999.9900 999.9900 .6686 -.1216 .6796 .3236 .4719 .1277 90 VAL 90 -.0951 999.9900 -.2457 999.9900 .7810 .1467 .6542 .1365 .3522 .2462 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6564 .0441 .2992 -.2784 92 ILE 92 -.0918 -3.0500 999.9900 999.9900 .6034 -.8462 .6576 .0486 .3023 -.3665 93 GLN 93 -1.6601 -1.3908 999.9900 1.3059 .5113 -.3084 .6817 .5272 .5916 -.0041 94 ALA 94 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .4755 .3126 .3805 .1751 95 PRO 95 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5415 -.3566 .0176 .2056 96 VAL 96 -4.3409 999.9900 .3968 999.9900 .7810 -1.0544 .6593 .1310 .3511 -.4746 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6563 -.2613 .1211 -.8490 98 GLU 98 -.9196 -.1765 999.9900 .3501 .6899 -.0140 .6754 .5153 .5820 .1891 99 LYS 99 -1.7210 -.1141 999.9900 -.4035 .7460 -.3792 .6727 .1497 .3676 -.1534 100 GLU 100 -.8707 -1.9198 999.9900 -1.0323 .6899 -.7832 .6786 .5240 .5884 -.3217 101 LYS 101 999.9900 .4603 999.9900 -.4035 999.9900 -.1156 .6847 -.0383 .2716 .0599 Means: -.5712 -1.4422 -.3734 .0467 .6979 -.2280 .6478 .2060 .3907 .0233 2.00 analyzed_7