1 GLU 1 999.9900 -1.7714 999.9900 -1.0323 .6899 -.7046 .6763 .5162 .5890 -.1843 2 ALA 2 -.5138 999.9900 999.9900 999.9900 .7458 .1160 .6648 .3118 .4589 .3022 3 GLU 3 -3.2255 -1.5476 999.9900 .3501 .6899 -.9333 .6749 .5196 .5843 -.4231 4 VAL 4 -2.1543 999.9900 -1.0788 999.9900 .7810 -.8173 .6557 .1119 .3385 -.3369 5 HIS 5 -.7615 .2773 999.9900 999.9900 .6686 .0615 .6804 .3174 .4686 .2364 6 ASN 6 -2.1824 -.6268 999.9900 999.9900 .7518 -.6858 .6755 .3823 .5044 -.1999 7 GLN 7 -2.6620 -2.6982 999.9900 1.3059 .5113 -.8857 .6708 .5202 .5829 -.3920 8 LEU 8 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6760 .1591 .3745 -.1357 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6735 .5200 .5839 -.3299 10 ILE 10 .3059 .4983 999.9900 999.9900 .6034 .4692 .6545 .0495 .3016 .4223 11 LYS 11 -.2799 -1.9682 999.9900 -.0397 .7460 -.3163 .6770 .1612 .3761 -.1062 12 PHE 12 .0900 .6915 999.9900 999.9900 .7573 .5129 .6850 .1054 .3469 .4658 13 ARG 13 -.6502 -2.3766 999.9900 .1593 .8581 -.3700 .6698 .5112 .5773 -.0956 14 LEU 14 -.6961 -2.3037 999.9900 999.9900 .9565 -.6811 .6764 .1607 .3756 -.2412 15 THR 15 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6538 -.2581 .1219 .0187 16 ASP 16 .1722 -2.0928 999.9900 999.9900 .8104 -.3701 .6822 .3905 .5120 -.0075 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5777 .4604 .5125 .7144 18 SER 18 .1980 999.9900 -.7153 999.9900 .6705 .0510 .6816 .5231 .5891 .2716 19 ASP 19 -1.3478 -2.8653 999.9900 999.9900 .8104 -1.1342 .6836 .3851 .5094 -.4668 20 ILE 20 .0813 .8778 999.9900 999.9900 .6034 .5209 .6559 .0444 .2991 .4526 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3470 .4773 .4194 .0209 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5385 -.3739 .0063 .2472 23 LYS 23 -.2799 -1.5020 999.9900 .4411 .7460 -.0307 .6760 .1519 .3702 .0963 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6667 .3195 .4641 .2260 25 PHE 25 -.4973 -1.1403 999.9900 999.9900 .7573 -.2934 .4983 .1105 .2720 -.0543 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5574 -.3575 .0237 .2673 27 ASP 27 .2994 -2.3194 999.9900 999.9900 .8104 -.4032 .6758 .3825 .5047 -.0303 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6697 .3279 .4703 .2171 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6598 -.2530 .1274 -.0501 30 THR 30 -.0745 999.9900 -.2947 999.9900 .4476 .0261 .6614 -.2614 .1231 .0957 31 VAL 31 -.8511 999.9900 .3968 999.9900 .7810 .1089 .6539 .1197 .3423 .2201 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6766 .5338 .5933 .4001 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6659 .3256 .4674 .5252 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6798 .1559 .3742 -.1531 35 LYS 35 .9480 -.7918 999.9900 -.0397 .7460 .1646 .6779 .1577 .3745 .2369 36 GLU 36 .6833 -1.0407 999.9900 -1.0323 .6899 -.1750 .6782 .5170 .5842 .0826 37 THR 37 1.1372 999.9900 -.8810 999.9900 .4476 .2346 .6588 -.2742 .1145 .2177 38 VAL 38 .8065 999.9900 -1.0788 999.9900 .7810 .1696 .6583 .1208 .3447 .2576 39 ILE 39 .7958 .8237 999.9900 999.9900 .6034 .7410 .6572 .0282 .2903 .5817 40 SER 40 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6726 .5211 .5842 .4670 41 GLU 41 .6833 -.7859 999.9900 -1.0323 .6899 -.1113 .6732 .5165 .5818 .1241 42 TRP 42 .1017 -1.3095 999.9900 999.9900 .9378 -.0900 .4913 .1781 .3086 .0799 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5413 -.3631 .0138 -.1964 44 ARG 44 .2784 .8164 999.9900 .6901 .8581 .6666 .6689 .5182 .5810 .6457 45 GLU 45 .3258 -.9977 999.9900 1.7325 .6899 .4376 .6778 .5240 .5881 .4920 46 LYS 46 -3.5196 -2.1617 999.9900 -.4035 .7460 -1.1485 .6798 .1569 .3748 -.7008 47 GLU 47 -1.0469 -.7564 999.9900 -1.0323 .6899 -.5364 .6783 .5226 .5875 -.1575 48 ASN 48 -1.1452 -1.0148 999.9900 999.9900 .7518 -.4694 .6791 .3851 .5076 -.0688 49 GLY 49 -.1573 999.9900 999.9900 999.9900 .7883 .3155 .3470 .4778 .4197 .3639 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5463 -.3786 .0068 -.1372 51 LYS 51 -3.5196 -.9951 999.9900 -.0397 .7460 -.7696 .6828 .1553 .3751 -.4300 52 THR 52 -.5003 999.9900 .0483 999.9900 .4476 -.0015 .6578 -.2709 .1161 .0765 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6596 .1159 .3425 .2088 54 LYS 54 -.4018 -1.3520 999.9900 .4405 .7460 -.0253 .6757 .1445 .3658 .0991 55 GLU 55 -1.2977 -1.1891 999.9900 -1.0323 .6899 -.7073 .6759 .5171 .5833 -.2727 56 VAL 56 .4077 999.9900 1.1129 999.9900 .7810 .7672 .6574 .1304 .3500 .6179 57 LYS 57 -.3286 -1.1755 999.9900 -.4035 .7460 -.3130 .6768 .1496 .3693 -.1055 58 LEU 58 -.0792 -1.8410 999.9900 999.9900 .9565 -.3212 .6744 .1463 .3664 -.0286 59 ILE 59 .1962 .8809 999.9900 999.9900 .6034 .5601 .6545 .0350 .2931 .4740 60 SER 60 -1.2119 999.9900 -.0289 999.9900 .6705 -.1901 .6744 .5184 .5834 .1245 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6646 .3073 .4562 -.0162 62 GLY 62 .1572 999.9900 999.9900 999.9900 .7883 .4727 .5674 .4572 .5062 .4925 63 LYS 63 -.2023 -1.5020 999.9900 .1140 .7460 -.1460 .6798 .1548 .3735 .0149 64 VAL 64 -.4192 999.9900 -.2457 999.9900 .7810 .0387 .6534 .1190 .3417 .1777 65 LEU 65 -.0766 -2.2115 999.9900 999.9900 .9565 -.4438 .6778 .1592 .3753 -.0989 66 GLU 66 -.8365 -2.8418 999.9900 -1.0323 .6899 -1.0052 .6712 .5194 .5827 -.4717 67 ASN 67 .6639 -1.8756 999.9900 999.9900 .7518 -.1533 .6782 .3892 .5096 .1215 68 SER 68 .4533 999.9900 -.7153 999.9900 .6705 .1362 .6782 .5259 .5893 .3225 69 LYS 69 -.4999 .0381 999.9900 -.4035 .7460 -.1046 .6711 .1581 .3718 .0438 70 THR 70 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6558 -.2504 .1272 -.1378 71 VAL 71 1.0462 999.9900 .2799 999.9900 .7810 .7024 .6598 .1156 .3424 .5765 72 LYS 72 .9480 -1.6955 999.9900 .5368 .7460 .2144 .6767 .1513 .3702 .2715 73 ASP 73 1.1359 -1.4116 999.9900 999.9900 .8104 .1782 .6809 .3869 .5094 .3205 74 TYR 74 -1.2852 -2.7782 999.9900 999.9900 .5630 -1.1668 .6748 -.1784 .1771 -.6008 75 ARG 75 -1.9585 -2.8571 999.9900 .6901 .8581 -.5155 .6788 .5231 .5880 -.1965 76 SER 76 -.1428 999.9900 -.7153 999.9900 .6705 -.0625 .4883 .5330 .5144 .1667 77 PRO 77 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5437 -.3468 .0242 -.1299 78 VAL 78 -3.4930 999.9900 .2799 999.9900 .7810 -.8107 .6599 .1131 .3409 -.3318 79 SER 79 -.7578 999.9900 .8786 999.9900 .6705 .2638 .6732 .5339 .5920 .3997 80 ASN 80 -1.0675 .3167 999.9900 999.9900 .7518 .0003 .6742 .3806 .5029 .2112 81 LEU 81 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6776 .1566 .3737 -.3793 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6656 .3261 .4676 -.4318 83 GLY 83 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5764 .4636 .5137 -.2860 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6723 .3158 .4644 .1762 85 VAL 85 -.7345 999.9900 .9224 999.9900 .7810 .3230 .6583 .1277 .3488 .3510 86 THR 86 .3447 999.9900 .4804 999.9900 .4476 .4242 .6536 -.2395 .1326 .3373 87 THR 87 .1937 999.9900 .8779 999.9900 .4476 .5064 .6586 -.2397 .1346 .3876 88 MET 88 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6755 .5264 .5885 -.0221 89 HIS 89 -.5497 -.7214 999.9900 999.9900 .6686 -.2008 .6716 .3308 .4728 .0800 90 VAL 90 -.0145 999.9900 .5873 999.9900 .7810 .4513 .6521 .1150 .3388 .4242 91 ILE 91 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6530 .0307 .2900 -.3007 92 ILE 92 .1597 -1.7297 999.9900 999.9900 .6034 -.3222 .6542 .0432 .2978 -.0538 93 GLN 93 -.7947 -1.0287 999.9900 2.7911 .5113 .3698 .6846 .5259 .5920 .4483 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4756 .3241 .3873 .1461 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5528 -.3490 .0268 .0892 96 VAL 96 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6606 .1217 .3462 .0221 97 THR 97 -.8759 999.9900 -.8810 999.9900 .4476 -.4365 .6562 -.2513 .1268 -.1809 98 GLU 98 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6822 .5298 .5933 -.8663 99 LYS 99 -2.1024 -2.9005 999.9900 -.4035 .7460 -1.0128 .6794 .1496 .3703 -.6050 100 GLU 100 -2.2616 -.3719 999.9900 .3501 .6899 -.3984 .6781 .5230 .5876 -.0654 101 LYS 101 999.9900 -.3555 999.9900 -.4035 999.9900 -.3875 .6739 -.0283 .2727 -.1034 Means: -.5314 -1.4146 -.2285 .0250 .6979 -.2021 .6477 .2053 .3903 .0392 2.00 analyzed_20