1 GLU 1 999.9900 -1.4588 999.9900 -1.0323 .6899 -.6004 .6687 .5170 .5859 -.1231 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6662 .3229 .4660 -.4324 3 GLU 3 -2.8104 -1.3804 999.9900 -1.0323 .6899 -1.1333 .6755 .5144 .5815 -.5572 4 VAL 4 -1.6661 999.9900 .4980 999.9900 .7810 -.1290 .6573 .1118 .3391 .0764 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6798 .3325 .4772 -.9031 6 ASN 6 -.4928 -.6730 999.9900 999.9900 .7518 -.1380 .6764 .3873 .5078 .1300 7 GLN 7 -1.9302 -.8787 999.9900 1.3059 .5113 -.2479 .6740 .5131 .5801 .0326 8 LEU 8 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6743 .1543 .3710 -.1370 9 GLU 9 -.4857 -2.1111 999.9900 1.1588 .6899 -.1870 .6780 .5227 .5874 .0754 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6491 .0529 .3013 .3286 11 LYS 11 -.2345 -2.4344 999.9900 .1731 .7460 -.3153 .6745 .1534 .3705 -.1070 12 PHE 12 -.0400 .5510 999.9900 999.9900 .7573 .4228 .6776 .1010 .3412 .4094 13 ARG 13 -.4343 -.9796 999.9900 .1593 .8581 -.0474 .6765 .5110 .5800 .1358 14 LEU 14 -.5702 -2.3037 999.9900 999.9900 .9565 -.6392 .6735 .1535 .3702 -.2181 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6571 -.2481 .1291 .0912 16 ASP 16 .0771 -2.1980 999.9900 999.9900 .8104 -.4369 .6742 .3791 .5020 -.0515 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5935 .4738 .5270 .6816 18 SER 18 -.0633 999.9900 -.7153 999.9900 .6705 -.0360 .6832 .5342 .5963 .2219 19 ASP 19 -1.4290 -1.7105 999.9900 999.9900 .8104 -.7764 .6789 .3810 .5052 -.2538 20 ILE 20 -.2252 .6227 999.9900 999.9900 .6034 .3336 .6556 .0480 .3012 .3409 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3490 .4794 .4215 .0880 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5399 -.3456 .0234 .2546 23 LYS 23 -.3414 -1.6955 999.9900 -.4035 .7460 -.4196 .6800 .1476 .3694 -.1815 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6706 .3252 .4691 .2406 25 PHE 25 -.0017 -.4548 999.9900 999.9900 .7573 .1003 .4766 .1089 .2621 .1773 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5394 -.3714 .0081 .2593 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6758 .3761 .5010 -.1407 28 ALA 28 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6673 .3208 .4652 .2251 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6604 -.2503 .1291 -.0494 30 THR 30 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6576 -.2710 .1159 -.0863 31 VAL 31 .7683 999.9900 .6672 999.9900 .7810 .7389 .6526 .1257 .3452 .5990 32 SER 32 .8349 999.9900 .3727 999.9900 .6705 .6260 .6743 .5299 .5901 .6165 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6649 .3300 .4695 .5261 34 LEU 34 1.1349 -3.3760 999.9900 999.9900 .9565 -.4282 .6844 .1576 .3771 -.0885 35 LYS 35 .6780 -1.9682 999.9900 -.4035 .7460 -.2702 .6818 .1621 .3786 -.0725 36 GLU 36 .6833 -.7859 999.9900 .3501 .6899 .2343 .6769 .5246 .5881 .3565 37 THR 37 .7219 999.9900 -.2947 999.9900 .4476 .2916 .6543 -.2428 .1310 .2573 38 VAL 38 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6511 .1273 .3456 .2498 39 ILE 39 .5785 .2821 999.9900 999.9900 .6034 .4880 .6611 .0398 .2987 .4330 40 SER 40 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6723 .5315 .5901 .3450 41 GLU 41 -1.9801 -2.1111 999.9900 -1.0323 .6899 -1.1084 .6738 .5199 .5840 -.5400 42 TRP 42 -.2452 -2.6463 999.9900 999.9900 .9378 -.6512 .4944 .1874 .3153 -.2544 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5516 -.3649 .0169 -.4200 44 ARG 44 .8469 -.5720 999.9900 1.3960 .8581 .7850 .6769 .5192 .5849 .7316 45 GLU 45 .3258 -1.1891 999.9900 -1.0323 .6899 -.3014 .6756 .5234 .5868 -.0011 46 LYS 46 -3.0472 -1.8181 999.9900 .7677 .7460 -.5168 .6762 .1572 .3735 -.2501 47 GLU 47 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6710 .5164 .5808 -.8704 48 ASN 48 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6758 .3687 .4966 -.7426 49 GLY 49 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3578 .4869 .4295 -.1649 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5516 -.3777 .0095 -.4045 51 LYS 51 -3.5196 -1.3520 999.9900 -.4035 .7460 -.9865 .6790 .1481 .3693 -.5865 52 THR 52 -.1608 999.9900 -.2947 999.9900 .4476 -.0027 .6571 -.2604 .1219 .0778 53 VAL 53 -1.6906 999.9900 -1.0788 999.9900 .7810 -.6628 .6541 .1140 .3390 -.2441 54 LYS 54 -.4018 -.9566 999.9900 .1731 .7460 -.0533 .6842 .1411 .3674 .0798 55 GLU 55 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6785 .5080 .5791 -.6719 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6600 .1288 .3501 .1068 57 LYS 57 -.3286 -1.5918 999.9900 -.0770 .7460 -.2657 .6781 .1596 .3756 -.0701 58 LEU 58 -.0977 -2.2115 999.9900 999.9900 .9565 -.4509 .6756 .1473 .3674 -.1059 59 ILE 59 .1962 -2.6526 999.9900 999.9900 .6034 -.6177 .6631 .0426 .3011 -.2295 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6788 .5275 .5905 -.0101 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .6682 .3183 .4641 .0018 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5724 .4664 .5135 .4891 63 LYS 63 -.2023 -2.1617 999.9900 .8769 .7460 .0272 .6733 .1589 .3732 .1383 64 VAL 64 -.5725 999.9900 .8055 999.9900 .7810 .3380 .6554 .1225 .3445 .3584 65 LEU 65 -.2787 -2.3037 999.9900 999.9900 .9565 -.5420 .6836 .1619 .3793 -.1561 66 GLU 66 -.8365 -1.6501 999.9900 1.7325 .6899 -.0160 .6802 .5226 .5883 .1898 67 ASN 67 1.1678 -1.5725 999.9900 999.9900 .7518 .1157 .6697 .3794 .5004 .2793 68 SER 68 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6759 .5285 .5899 .4071 69 LYS 69 -.4529 -.2178 999.9900 -.4035 .7460 -.1463 .6792 .1417 .3656 .0127 70 THR 70 -.6884 999.9900 -.8810 999.9900 .4476 -.3740 .6590 -.2570 .1246 -.1440 71 VAL 71 -.2252 999.9900 -1.0788 999.9900 .7810 -.1743 .6554 .1252 .3461 .0515 72 LYS 72 .8536 -.5490 999.9900 -.4035 .7460 .0487 .6796 .1558 .3741 .1541 73 ASP 73 .2251 -1.7105 999.9900 999.9900 .8104 -.2250 .6803 .3852 .5082 .0781 74 TYR 74 -1.0804 -4.1972 999.9900 999.9900 .5630 -1.5716 .6803 -.1681 .1854 -.8405 75 ARG 75 -.4945 -2.3766 999.9900 .1593 .8581 -.3389 .6789 .5284 .5911 -.0696 76 SER 76 .2908 999.9900 -.7153 999.9900 .6705 .0820 .4730 .5313 .5070 .2501 77 PRO 77 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5379 -.3809 .0019 -.1399 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6625 .1267 .3499 -.7699 79 SER 79 -2.9368 999.9900 .6576 999.9900 .6705 -.5362 .6733 .5361 .5933 -.0798 80 ASN 80 -.9968 -2.0766 999.9900 999.9900 .7518 -.7738 .6775 .3781 .5029 -.2532 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6770 .1373 .3622 -1.0751 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6642 .3205 .4637 -.4335 83 GLY 83 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5777 .4839 .5256 -.0236 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6683 .3210 .4657 .1548 85 VAL 85 -.7345 999.9900 .4980 999.9900 .7810 .1815 .6582 .1246 .3469 .2655 86 THR 86 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6584 -.2499 .1285 .0623 87 THR 87 .0164 999.9900 -.8810 999.9900 .4476 -.1390 .6573 -.2535 .1260 -.0026 88 MET 88 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6772 .5147 .5824 -.0330 89 HIS 89 -.4125 .8055 999.9900 999.9900 .6686 .3539 .6769 .3300 .4745 .4137 90 VAL 90 -.1853 999.9900 .4980 999.9900 .7810 .3646 .6603 .1306 .3513 .3769 91 ILE 91 -.6113 -2.6526 999.9900 999.9900 .6034 -.8868 .6563 .0443 .2993 -.3920 92 ILE 92 -.8627 -.4959 999.9900 999.9900 .6034 -.2517 .6527 .0359 .2929 -.0133 93 GLN 93 -.7185 -2.6982 999.9900 1.3059 .5113 -.3999 .6726 .5149 .5806 -.0687 94 ALA 94 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .4925 .3171 .3902 .2089 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5472 -.3628 .0164 .0844 96 VAL 96 -3.8060 999.9900 .8055 999.9900 .7810 -.7398 .6594 .1212 .3455 -.2878 97 THR 97 -.2740 999.9900 .7650 999.9900 .4476 .3128 .6602 -.2548 .1265 .2688 98 GLU 98 -2.8104 -1.7714 999.9900 -1.0323 .6899 -1.2310 .6727 .5167 .5817 -.6225 99 LYS 99 -3.5196 .0465 999.9900 -.4035 .7460 -.7068 .6754 .1604 .3750 -.3855 100 GLU 100 -.4615 -2.1111 999.9900 -1.0323 .6899 -.7288 .6781 .5135 .5821 -.2872 101 LYS 101 999.9900 -1.1257 999.9900 -.0770 999.9900 -.4266 .6763 -.0308 .2723 -.1268 Means: -.7812 -1.6256 -.3437 .0185 .6979 -.3244 .6478 .2057 .3906 -.0361 2.00 analyzed_12