1 GLU 1 999.9900 -1.9198 999.9900 -1.0323 .6899 -.7541 .6722 .5042 .5805 -.2172 2 ALA 2 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6639 .3228 .4649 -.2761 3 GLU 3 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6825 .5221 .5889 -.6689 4 VAL 4 -2.3613 999.9900 .5873 999.9900 .7810 -.3310 .6576 .1202 .3441 -.0430 5 HIS 5 -.6701 -.4813 999.9900 999.9900 .6686 -.1610 .6840 .3268 .4756 .1056 6 ASN 6 -2.8943 -.2921 999.9900 999.9900 .7518 -.8115 .6802 .3817 .5061 -.2745 7 GLN 7 -1.5899 -.6527 999.9900 2.7911 .5113 .2649 .6786 .5180 .5849 .3761 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6753 .1481 .3678 -.1686 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6789 .5320 .5932 -.4038 10 ILE 10 -.1366 -.3653 999.9900 999.9900 .6034 .0338 .6582 .0492 .3030 .1618 11 LYS 11 -.1715 -.1141 999.9900 .6177 .7460 .3392 .6766 .1598 .3752 .3618 12 PHE 12 -.0721 .3397 999.9900 999.9900 .7573 .3416 .6831 .1011 .3436 .3618 13 ARG 13 -.4343 -2.3766 999.9900 .5548 .8581 -.1686 .6736 .5173 .5824 .0497 14 LEU 14 -1.2495 -3.3760 999.9900 999.9900 .9565 -1.2230 .6771 .1615 .3763 -.5661 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6580 -.2613 .1218 .0887 16 ASP 16 .0771 -2.8653 999.9900 999.9900 .8104 -.6593 .6740 .3871 .5066 -.1834 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5692 .4660 .5118 .6124 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6713 .5240 .5854 .2883 19 ASP 19 -.9509 -2.8653 999.9900 999.9900 .8104 -1.0019 .6777 .3880 .5087 -.3880 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6551 .0497 .3019 -.3934 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3520 .4721 .4188 .0208 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5473 -.3502 .0238 .2553 23 LYS 23 -.2799 -1.5918 999.9900 -.4035 .7460 -.3866 .6759 .1637 .3771 -.1562 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6607 .3187 .4612 .2477 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4844 .0977 .2588 .1220 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5507 -.3893 .0024 .2577 27 ASP 27 .2994 -.0285 999.9900 999.9900 .8104 .3604 .6794 .3812 .5055 .4284 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6712 .3128 .4622 .2903 29 THR 29 .0286 999.9900 -.8810 999.9900 .4476 -.1349 .6593 -.2704 .1170 -.0032 30 THR 30 .0286 999.9900 .0483 999.9900 .4476 .1748 .6594 -.2513 .1282 .1865 31 VAL 31 -.8511 999.9900 .5873 999.9900 .7810 .1724 .6623 .1343 .3543 .2628 32 SER 32 .8349 999.9900 -.0289 999.9900 .6705 .4922 .6766 .5288 .5904 .5364 33 ALA 33 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6646 .3228 .4652 .3937 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6728 .1642 .3761 -.1408 35 LYS 35 .8536 -1.3520 999.9900 .5368 .7460 .2643 .6749 .1553 .3718 .3074 36 GLU 36 1.0761 -1.1891 999.9900 -1.0323 .6899 -.1139 .6832 .5223 .5894 .1250 37 THR 37 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .6617 -.2551 .1269 .2421 38 VAL 38 .7260 999.9900 .5873 999.9900 .7810 .6981 .6618 .1326 .3531 .5778 39 ILE 39 .6852 .8237 999.9900 999.9900 .6034 .7041 .6628 .0405 .2998 .5631 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6756 .5311 .5913 .4054 41 GLU 41 -.1289 -1.5476 999.9900 -1.0323 .6899 -.5047 .6757 .5288 .5900 -.1357 42 TRP 42 -.2990 -.1373 999.9900 999.9900 .9378 .1672 .4867 .1956 .3169 .2368 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5376 -.3562 .0162 -.1956 44 ARG 44 .3315 .7238 999.9900 .1593 .8581 .4464 .6771 .5186 .5847 .4897 45 GLU 45 .0765 -1.9198 999.9900 .3501 .6899 -.2008 .6819 .5257 .5908 .0674 46 LYS 46 -3.5196 -1.2879 999.9900 -.4035 .7460 -.9737 .6800 .1538 .3730 -.5764 47 GLU 47 -1.9096 -.1645 999.9900 -1.0323 .6899 -.6041 .6799 .5261 .5902 -.2018 48 ASN 48 -.9968 -2.7010 999.9900 999.9900 .7518 -.9820 .6757 .3872 .5075 -.3766 49 GLY 49 -1.1938 999.9900 999.9900 999.9900 .7883 -.2028 .3335 .4701 .4094 .0995 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5342 -.3556 .0152 .0829 51 LYS 51 -3.5196 -.4196 999.9900 .6906 .7460 -.3624 .6722 .1568 .3715 -.1404 52 THR 52 -.4146 999.9900 -.8810 999.9900 .4476 -.2827 .6523 -.2587 .1209 -.0909 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6546 .1298 .3484 .1355 54 LYS 54 .0195 -1.2293 999.9900 -.4035 .7460 -.2542 .6763 .1628 .3767 -.0617 55 GLU 55 -1.4945 -1.2470 999.9900 -1.0323 .6899 -.7710 .6796 .5243 .5890 -.3133 56 VAL 56 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .6528 .1195 .3417 .2016 57 LYS 57 -.2512 -1.3520 999.9900 -.0397 .7460 -.1873 .6820 .1426 .3674 -.0160 58 LEU 58 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6731 .1500 .3680 -.3040 59 ILE 59 .2866 -2.4201 999.9900 999.9900 .6034 -.5100 .6511 .0373 .2931 -.1683 60 SER 60 -1.1635 999.9900 -.0289 999.9900 .6705 -.1740 .6801 .5319 .5936 .1380 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6647 .3228 .4653 -.0049 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5835 .4693 .5201 .6204 63 LYS 63 -.2455 -1.5918 999.9900 .1140 .7460 -.1727 .6729 .1446 .3647 -.0065 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6571 .1197 .3437 .0061 65 LEU 65 -.4371 -3.3760 999.9900 999.9900 .9565 -.9522 .6835 .1680 .3827 -.4010 66 GLU 66 -2.3953 -.8493 999.9900 -1.0323 .6899 -.8968 .6709 .5316 .5896 -.3974 67 ASN 67 .1528 -2.0766 999.9900 999.9900 .7518 -.3907 .6774 .3753 .5012 -.0239 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6802 .5328 .5942 .2572 69 LYS 69 -.8956 -.5910 999.9900 -.4035 .7460 -.3095 .6790 .1604 .3765 -.1012 70 THR 70 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6569 -.2607 .1216 -.0844 71 VAL 71 .5660 999.9900 -.0276 999.9900 .7810 .4398 .6556 .1232 .3450 .4196 72 LYS 72 .8536 -1.2293 999.9900 -.0770 .7460 .0433 .6716 .1549 .3702 .1490 73 ASP 73 .2251 -2.1980 999.9900 999.9900 .8104 -.3875 .6744 .3825 .5041 -.0211 74 TYR 74 -1.2400 -4.1972 999.9900 999.9900 .5630 -1.6248 .6702 -.1688 .1808 -.8746 75 ARG 75 -.4155 -2.8571 999.9900 .1593 .8581 -.4192 .6803 .5251 .5898 -.1272 76 SER 76 -.4317 999.9900 -.7153 999.9900 .6705 -.1588 .4793 .5335 .5109 .1072 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5307 -.3752 .0022 .1543 78 VAL 78 -2.3613 999.9900 -1.0788 999.9900 .7810 -.8863 .6556 .1127 .3389 -.3782 79 SER 79 -2.9368 999.9900 -.0289 999.9900 .6705 -.7650 .6763 .5218 .5862 -.2194 80 ASN 80 -.6931 -1.4522 999.9900 999.9900 .7518 -.4645 .6797 .3878 .5094 -.0652 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6776 .1501 .3699 -1.0724 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6681 .3193 .4646 -.4329 83 GLY 83 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5785 .4702 .5183 -.1553 84 ALA 84 -.2598 999.9900 999.9900 999.9900 .7458 .2430 .6617 .3142 .4590 .3655 85 VAL 85 -1.1433 999.9900 .5873 999.9900 .7810 .0750 .6607 .1283 .3501 .2028 86 THR 86 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .6551 -.2648 .1185 .0398 87 THR 87 .0164 999.9900 .2916 999.9900 .4476 .2519 .6560 -.2669 .1177 .2289 88 MET 88 -.3503 -1.7864 999.9900 .9587 .5203 -.1644 .6723 .5154 .5808 .0883 89 HIS 89 -.4783 -1.5062 999.9900 999.9900 .6686 -.4386 .6769 .3291 .4740 -.0620 90 VAL 90 -.0145 999.9900 .7395 999.9900 .7810 .5020 .6533 .1259 .3457 .4571 91 ILE 91 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6573 .0392 .2967 -.2525 92 ILE 92 -.0879 -1.0628 999.9900 999.9900 .6034 -.1824 .6539 .0537 .3038 .0321 93 GLN 93 -1.6601 -2.6982 999.9900 1.3059 .5113 -.6353 .6825 .5219 .5888 -.2228 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4807 .3252 .3900 .1477 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5511 -.3675 .0153 .0842 96 VAL 96 -.6924 999.9900 .5873 999.9900 .7810 .2253 .6564 .1277 .3480 .2920 97 THR 97 .3531 999.9900 -.8810 999.9900 .4476 -.0268 .6585 -.2662 .1191 .0624 98 GLU 98 -.6478 -1.5476 999.9900 -1.0323 .6899 -.6344 .6688 .5144 .5787 -.2258 99 LYS 99 -1.7210 -1.6955 999.9900 -.4035 .7460 -.6955 .6778 .1504 .3701 -.3785 100 GLU 100 -2.0601 -2.8418 999.9900 -1.0323 .6899 -1.3111 .6803 .5159 .5844 -.6747 101 LYS 101 999.9900 -1.9682 999.9900 .2495 999.9900 -.4897 .6793 -.0370 .2700 -.1654 Means: -.5920 -1.6495 -.3497 -.0687 .6979 -.2831 .6473 .2061 .3906 -.0107 2.00 analyzed_19