1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6693 .5014 .5777 .3087 2 ALA 2 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6724 .3229 .4685 .1563 3 ASP 3 -.0277 -2.0928 999.9900 999.9900 .8104 -.4367 .6687 .3797 .5001 -.0523 4 THR 4 -2.0799 999.9900 -.8810 999.9900 .4476 -.8378 .6532 -.2534 .1244 -.4227 5 GLY 5 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5864 .4793 .5269 .4382 6 GLU 6 -3.2255 -1.3804 999.9900 -1.0323 .6899 -1.2371 .6768 .5141 .5819 -.6262 7 VAL 7 .0764 999.9900 -.2457 999.9900 .7810 .2039 .6565 .1242 .3460 .2785 8 GLN 8 -1.1984 -1.9601 999.9900 1.3059 .5113 -.3353 .6736 .5227 .5856 -.0242 9 PHE 9 -.9952 .6387 999.9900 999.9900 .7573 .1336 .6797 .0993 .3411 .2359 10 MET 10 -.0824 -1.1064 999.9900 .9587 .5203 .0725 .6808 .5248 .5898 .2493 11 LYS 11 -.5771 -2.9005 999.9900 -.4035 .7460 -.7077 .4760 .1618 .2927 -.4144 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5224 -.3585 .0085 .2470 13 PHE 13 -.0400 -3.0602 999.9900 999.9900 .7573 -.7810 .6769 .1044 .3429 -.3123 14 ILE 14 -.0918 -1.4972 999.9900 999.9900 .6034 -.3286 .6583 .0456 .3009 -.0564 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6753 .5270 .5888 .2633 16 GLU 16 .8171 -1.9198 999.9900 1.1588 .6899 .1865 .6799 .5218 .5876 .3246 17 LYS 17 -1.4779 -2.9005 999.9900 -.0770 .7460 -.7573 .6770 .1503 .3698 -.4227 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6789 .5301 .5921 .2606 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6738 .5247 .5868 .2625 20 LYS 20 -3.5196 -.8530 999.9900 -.4035 .7460 -.8867 .6732 .1494 .3676 -.5159 21 SER 21 -.6561 999.9900 -.7153 999.9900 .6705 -.2336 .6774 .5298 .5913 .1013 22 LEU 22 -.0411 -3.3760 999.9900 999.9900 .9565 -.8202 .6720 .1524 .3689 -.3273 23 GLU 23 -.4325 -2.3808 999.9900 -1.0323 .6899 -.7889 .6777 .5263 .5894 -.3253 24 ILE 24 .2768 -.5821 999.9900 999.9900 .6034 .0994 .4755 .0573 .2315 .1662 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5388 -.3823 .0015 .1545 26 LEU 26 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6788 .1489 .3697 -.0258 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5895 .4693 .5227 .4763 28 PHE 28 -1.7494 -1.8165 999.9900 999.9900 .7573 -.9362 .6793 .0921 .3368 -.4074 29 ASN 29 1.0488 -.7732 999.9900 999.9900 .7518 .3425 .6756 .3730 .4991 .4152 30 GLU 30 .0468 -.4051 999.9900 -1.0323 .6899 -.1752 .6798 .5254 .5898 .0841 31 TYR 31 -.0710 -2.1671 999.9900 999.9900 .5630 -.5584 .6779 -.1626 .1876 -.2320 32 PHE 32 -3.6149 -.5729 999.9900 999.9900 .7573 -1.1435 .4780 .0950 .2546 -.5715 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5486 -.3605 .0183 .2530 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4634 .3235 .3818 .2724 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5376 -.3804 .0021 .2567 36 PHE 36 -1.3242 -.4187 999.9900 999.9900 .7573 -.3285 .5047 .0912 .2635 -.0779 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5280 -.3769 .0001 .1972 38 ILE 38 .5785 -.5232 999.9900 999.9900 .6034 .2196 .6583 .0372 .2960 .2708 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6567 -.2426 .1321 -.1656 40 VAL 40 -.0523 999.9900 .5873 999.9900 .7810 .4387 .6565 .1177 .3422 .4181 41 ASP 41 -.9091 .1998 999.9900 999.9900 .8104 .0337 .6776 .3785 .5031 .2314 42 LEU 42 .1006 -.8871 999.9900 999.9900 .9565 .0567 .6876 .1530 .3758 .2021 43 LEU 43 -.6830 -1.4996 999.9900 999.9900 .9565 -.4087 .6769 .1580 .3742 -.0782 44 ASP 44 -1.5212 -1.7105 999.9900 999.9900 .8104 -.8071 .6824 .3811 .5066 -.2715 45 TYR 45 -2.7821 -2.7782 999.9900 999.9900 .5630 -1.6658 .6760 -.1825 .1752 -.9008 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6780 .5318 .5927 -.4151 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5903 .4733 .5253 -.4086 48 ARG 48 -.4945 -.5225 999.9900 .1593 .8581 .0320 .6801 .5271 .5909 .1953 49 SER 49 -.2734 999.9900 -.7153 999.9900 .6705 -.1061 .6757 .5407 .5969 .1796 50 TRP 50 -.0034 -1.9067 999.9900 999.9900 .9378 -.3241 .6714 .1890 .3900 -.0224 51 THR 51 .4171 999.9900 .9776 999.9900 .4476 .6141 .6591 -.2415 .1338 .4520 52 VAL 52 -.1853 999.9900 -.0276 999.9900 .7810 .1894 .6506 .1196 .3409 .2677 53 ARG 53 -.5160 -1.7413 999.9900 .1593 .8581 -.2161 .6788 .5228 .5878 .0173 54 MET 54 -.3206 .5321 999.9900 .9587 .5203 .4226 .6768 .5246 .5880 .4820 55 LYS 55 -.1715 .7597 999.9900 -.4035 .7460 .1054 .6801 .1485 .3700 .1937 56 LYS 56 -.3350 -1.2293 999.9900 -.4035 .7460 -.3251 .6742 .1532 .3703 -.1140 57 ARG 57 -1.2223 -.6832 999.9900 .1593 .8581 -.1458 .6714 .5157 .5806 .0655 58 GLY 58 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5714 .4683 .5142 .3979 59 GLU 59 -1.0162 -1.9198 999.9900 -1.0323 .6899 -.8196 .6805 .5281 .5916 -.3450 60 LYS 60 -.3038 -2.9005 999.9900 -.4035 .7460 -.6531 .6784 .1540 .3725 -.3476 61 VAL 61 .0764 999.9900 .6672 999.9900 .7810 .5082 .6611 .1310 .3519 .4634 62 PHE 62 -.3916 -2.3327 999.9900 999.9900 .7573 -.6557 .6791 .0978 .3400 -.2380 63 LEU 63 -.5127 -3.3760 999.9900 999.9900 .9565 -.9774 .6781 .1477 .3687 -.4213 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6587 -.2641 .1204 -.8491 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6596 .1278 .3494 -.1435 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5942 .4782 .5298 -.1494 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6767 .1912 .3935 -.4545 68 GLU 68 .6116 -.9977 999.9900 -1.0323 .6899 -.1821 .6781 .5255 .5890 .0792 69 ASN 69 1.3908 1.1943 999.9900 999.9900 .7518 1.1123 .6770 .3804 .5040 .8789 70 PHE 70 .6259 -2.6964 999.9900 999.9900 .7573 -.4377 .6769 .0983 .3394 -.1076 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6555 .1338 .3512 .2950 72 LYS 72 .9480 -1.5020 999.9900 .3546 .7460 .1803 .6788 .1529 .3720 .2476 73 ASP 73 .3915 -2.0001 999.9900 999.9900 .8104 -.2661 .6759 .3709 .4980 .0497 74 ASN 74 -.1320 -1.0869 999.9900 999.9900 .7518 -.1557 .6715 .3798 .5013 .1168 75 ASN 75 -1.1452 -.0252 999.9900 999.9900 .7518 -.1395 .6787 .3836 .5066 .1287 76 LEU 76 -3.0384 -2.1315 999.9900 999.9900 .9565 -1.4045 .6680 .1494 .3655 -.6792 77 GLU 77 -1.3743 -2.8418 999.9900 1.1588 .6899 -.5919 .6723 .5170 .5817 -.1964 78 ASP 78 -.9954 -2.8653 999.9900 999.9900 .8104 -1.0168 .6788 .3736 .5008 -.3996 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5719 .4671 .5137 -.4148 80 LYS 80 -.7292 -1.2293 999.9900 -.4035 .7460 -.4039 .6717 .1517 .3684 -.1709 81 TYR 81 .0406 -1.3952 999.9900 999.9900 .5630 -.2639 .6726 -.1763 .1774 -.0591 82 LEU 82 -.1655 -2.5464 999.9900 999.9900 .9565 -.5851 .6832 .1602 .3781 -.1824 83 GLN 83 -.1803 -1.3908 999.9900 1.3059 .5113 .0615 .6780 .5284 .5907 .2421 84 PHE 84 -.2457 .3498 999.9900 999.9900 .7573 .2871 .6794 .1109 .3478 .3303 85 ILE 85 .1597 -1.6252 999.9900 999.9900 .6034 -.2874 .6530 .0353 .2927 -.0348 86 TYR 86 .4225 .4290 999.9900 999.9900 .5630 .4715 .6819 -.1938 .1710 .3805 87 ASP 87 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6723 .3787 .5010 -.9330 88 ARG 88 -2.9267 -2.8571 999.9900 .6901 .8581 -.7091 .6786 .5133 .5822 -.3362 89 ASP 89 -2.3854 -.9083 999.9900 999.9900 .8104 -.8277 .6773 .3801 .5039 -.2852 90 ARG 90 -2.5097 -1.2607 999.9900 1.0005 .8581 -.1823 .6762 .5098 .5791 .0392 91 THR 91 .3363 999.9900 -.2947 999.9900 .4476 .1631 .6629 -.2541 .1280 .1796 92 PHE 92 .1097 -1.1403 999.9900 999.9900 .7573 -.0911 .6741 .0989 .3386 .0999 93 TYR 93 .3730 .4149 999.9900 999.9900 .5630 .4503 .6761 -.1586 .1892 .3737 94 VAL 94 -.6656 999.9900 .5873 999.9900 .7810 .2343 .6507 .1298 .3469 .2967 95 ILE 95 -.7007 -1.8577 999.9900 999.9900 .6034 -.6517 .6646 .0459 .3037 -.2489 96 ILE 96 .3059 -.1471 999.9900 999.9900 .6034 .2540 .6581 .0513 .3041 .2943 97 TYR 97 -.3077 .2322 999.9900 999.9900 .5630 .1625 .6762 -.1711 .1819 .1985 98 GLY 98 -.2001 999.9900 999.9900 999.9900 .7883 .2941 .5918 .4689 .5235 .4122 99 HIS 99 -3.0884 -.6348 999.9900 999.9900 .6686 -1.0182 .6791 .3147 .4666 -.4121 100 ASN 100 -3.4329 .2165 999.9900 999.9900 .7518 -.8215 .6741 .3802 .5027 -.2821 101 MET 101 -.3206 -1.3058 999.9900 .9587 .5203 -.0369 .6796 .5244 .5890 .1761 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6741 .2449 .4288 .3495 Means: -.6975 -1.3876 -.3532 .0937 .7095 -.2954 .6514 .2116 .3957 -.0157 2.00 analyzed_6