1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6750 .5063 .5830 .0224 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6638 .3136 .4595 -.4354 3 ASP 3 -.1788 -2.6388 999.9900 999.9900 .8104 -.6690 .6758 .3847 .5060 -.1893 4 THR 4 -1.5612 999.9900 -.8810 999.9900 .4476 -.6649 .6564 -.2539 .1254 -.3184 5 GLY 5 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5588 .4614 .5047 .2450 6 GLU 6 -.5648 -1.4588 999.9900 .3501 .6899 -.2459 .6745 .5236 .5865 .0358 7 VAL 7 .0815 999.9900 .1416 999.9900 .7810 .3347 .6552 .1348 .3516 .3588 8 GLN 8 -.3854 -1.4944 999.9900 1.3059 .5113 -.0157 .6758 .5308 .5912 .1907 9 PHE 9 .2240 -.4306 999.9900 999.9900 .7573 .1836 .6797 .0981 .3404 .2657 10 MET 10 -.2142 -1.1064 999.9900 .9587 .5203 .0396 .6784 .5165 .5840 .2256 11 LYS 11 -.5771 -2.9005 999.9900 -.4035 .7460 -.7077 .5001 .1565 .2997 -.4117 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5356 -.3787 .0023 .2452 13 PHE 13 .0490 -3.6820 999.9900 999.9900 .7573 -.9586 .6791 .1059 .3447 -.4181 14 ILE 14 -.5593 -1.4972 999.9900 999.9900 .6034 -.4844 .6582 .0559 .3069 -.1478 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6736 .5238 .5862 .2623 16 GLU 16 1.0761 -1.7714 999.9900 -1.0323 .6899 -.2594 .6801 .5163 .5845 .0264 17 LYS 17 -1.2734 -1.6955 999.9900 -.4035 .7460 -.6060 .6768 .1581 .3742 -.3136 18 SER 18 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .6795 .5368 .5962 .1292 19 SER 19 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6799 .5329 .5942 .3732 20 LYS 20 -3.5196 -1.5020 999.9900 -.4035 .7460 -1.0165 .6760 .1508 .3696 -.6080 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6771 .5320 .5924 .1336 22 LEU 22 -1.0889 -3.3760 999.9900 999.9900 .9565 -1.1695 .6757 .1510 .3696 -.5363 23 GLU 23 -.3890 -.2533 999.9900 .3501 .6899 .0994 .6757 .5176 .5835 .2652 24 ILE 24 .2593 -.6653 999.9900 999.9900 .6034 .0658 .4704 .0448 .2222 .1425 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5507 -.3900 .0020 .1556 26 LEU 26 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6804 .1434 .3671 -.2192 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5895 .4665 .5212 .5044 28 PHE 28 -1.7494 -.1998 999.9900 999.9900 .7573 -.3973 .6778 .1059 .3442 -.0816 29 ASN 29 .6990 -.0726 999.9900 999.9900 .7518 .4594 .6802 .3780 .5039 .4873 30 GLU 30 .0468 -2.8418 999.9900 -1.0323 .6899 -.7844 .6780 .5157 .5833 -.3240 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6747 -.1848 .1733 -.5621 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4843 .1008 .2606 -.5530 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5473 -.3542 .0214 .2543 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4797 .3143 .3832 .2741 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5466 -.3745 .0093 .2604 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4788 .0906 .2524 -.2181 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5519 -.3458 .0282 .2109 38 ILE 38 -1.3063 -.5232 999.9900 999.9900 .6034 -.4087 .6609 .0514 .3053 -.1028 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6602 -.2467 .1312 -.1181 40 VAL 40 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .6538 .1228 .3441 .0853 41 ASP 41 -.6569 -2.6388 999.9900 999.9900 .8104 -.8284 .6836 .4005 .5185 -.2802 42 LEU 42 -.0536 .1975 999.9900 999.9900 .9565 .3668 .6728 .1532 .3697 .3853 43 LEU 43 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6781 .1499 .3700 -.2201 44 ASP 44 -1.5212 -1.1646 999.9900 999.9900 .8104 -.6251 .6736 .3683 .4955 -.1667 45 TYR 45 -.8045 -2.0063 999.9900 999.9900 .5630 -.7493 .6828 -.1747 .1826 -.3479 46 SER 46 .2739 999.9900 -.7153 999.9900 .6705 .0763 .6741 .5308 .5905 .2868 47 GLY 47 -.4497 999.9900 999.9900 999.9900 .7883 .1693 .5761 .4731 .5189 .3469 48 ARG 48 -.5733 -1.6149 999.9900 .1593 .8581 -.2023 .6797 .5261 .5901 .0278 49 SER 49 -.0526 999.9900 .6576 999.9900 .6705 .4252 .6796 .5315 .5932 .4973 50 TRP 50 -.3875 -.6490 999.9900 999.9900 .9378 -.0329 .6749 .1849 .3891 .1522 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6560 -.2485 .1284 -.0516 52 VAL 52 -.3637 999.9900 .1416 999.9900 .7810 .1863 .6598 .1268 .3488 .2691 53 ARG 53 -.5160 -1.6149 999.9900 .1593 .8581 -.1908 .6709 .5121 .5783 .0327 54 MET 54 -.7108 -2.0676 999.9900 .9587 .5203 -.3248 .6780 .5145 .5826 -.0178 55 LYS 55 -.2345 -.6131 999.9900 .2868 .7460 .0944 .6751 .1537 .3709 .1858 56 LYS 56 -.1765 -1.9682 999.9900 .1731 .7460 -.2105 .6745 .1421 .3639 -.0337 57 ARG 57 -1.2223 -.0300 999.9900 .1593 .8581 -.0151 .6783 .5232 .5878 .1608 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5858 .4740 .5237 .3557 59 GLU 59 -1.0162 -2.8418 999.9900 -1.0323 .6899 -1.0501 .6741 .5168 .5823 -.5016 60 LYS 60 -.1867 -.5910 999.9900 -.4035 .7460 -.1678 .6745 .1546 .3712 -.0014 61 VAL 61 .3116 999.9900 .9747 999.9900 .7810 .6891 .6544 .1218 .3437 .5687 62 PHE 62 -.3916 -4.3038 999.9900 999.9900 .7573 -1.3127 .6792 .1002 .3415 -.6317 63 LEU 63 -.7582 -2.3037 999.9900 999.9900 .9565 -.7018 .6740 .1538 .3705 -.2555 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6573 -.2551 .1251 -.8475 65 VAL 65 -1.2071 999.9900 .8055 999.9900 .7810 .1265 .6610 .1301 .3513 .2341 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5867 .4686 .5211 -.2822 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6790 .1871 .3920 -.4549 68 GLU 68 .6116 -2.8418 999.9900 -1.0323 .6899 -.6432 .6737 .5196 .5838 -.2299 69 ASN 69 1.0488 .7863 999.9900 999.9900 .7518 .8623 .6800 .3786 .5042 .7291 70 PHE 70 .8041 -2.6964 999.9900 999.9900 .7573 -.3783 .6800 .1009 .3422 -.0708 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6587 .1239 .3468 .2937 72 LYS 72 .6780 -.9203 999.9900 .1140 .7460 .1463 .6754 .1565 .3727 .2234 73 ASP 73 .9921 -2.0928 999.9900 999.9900 .8104 -.0968 .6729 .3852 .5051 .1536 74 ASN 74 -.1320 -.8278 999.9900 999.9900 .7518 -.0693 .6793 .3734 .5009 .1689 75 ASN 75 -3.4329 -1.5725 999.9900 999.9900 .7518 -1.4178 .6782 .3831 .5061 -.6384 76 LEU 76 -1.2495 -3.3760 999.9900 999.9900 .9565 -1.2230 .6842 .1465 .3705 -.5677 77 GLU 77 -1.1499 -1.3804 999.9900 -1.0323 .6899 -.7182 .6705 .5188 .5820 -.2806 78 ASP 78 -.9954 -1.1646 999.9900 999.9900 .8104 -.4499 .6778 .3786 .5033 -.0586 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5864 .4696 .5215 -.4105 80 LYS 80 -.7762 -.0150 999.9900 -.4035 .7460 -.1705 .6815 .1557 .3748 -.0022 81 TYR 81 -.3989 -4.1972 999.9900 999.9900 .5630 -1.3444 .6738 -.1779 .1769 -.7075 82 LEU 82 -.1897 -1.1113 999.9900 999.9900 .9565 -.1149 .6759 .1537 .3713 .0970 83 GLN 83 -.6030 -.8787 999.9900 1.3059 .5113 .0838 .6775 .5232 .5875 .2560 84 PHE 84 -.2255 -4.3038 999.9900 999.9900 .7573 -1.2573 .6779 .1067 .3447 -.5975 85 ILE 85 .1597 .5691 999.9900 999.9900 .6034 .4441 .6523 .0433 .2971 .4056 86 TYR 86 .6244 -.2802 999.9900 999.9900 .5630 .3024 .6772 -.1724 .1816 .2824 87 ASP 87 -1.8260 -2.1980 999.9900 999.9900 .8104 -1.0712 .6790 .3826 .5061 -.4304 88 ARG 88 -1.4842 -1.8960 999.9900 .5548 .8581 -.2825 .6721 .5144 .5801 -.0323 89 ASP 89 -1.8260 -3.7306 999.9900 999.9900 .8104 -1.5820 .6671 .3738 .4960 -.7410 90 ARG 90 -2.5097 -1.5080 999.9900 .1593 .8581 -.5682 .6815 .5186 .5865 -.2344 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6589 -.2629 .1212 -.0105 92 PHE 92 -.0168 -.0090 999.9900 999.9900 .7573 .2439 .6781 .0941 .3374 .3008 93 TYR 93 -.0287 .8492 999.9900 999.9900 .5630 .4612 .6802 -.1698 .1843 .3788 94 VAL 94 -.1817 999.9900 .2799 999.9900 .7810 .2931 .6551 .1379 .3534 .3344 95 ILE 95 -1.5441 .6227 999.9900 999.9900 .6034 -.1060 .6555 .0461 .3000 .0767 96 ILE 96 .3059 -.1471 999.9900 999.9900 .6034 .2540 .6526 .0503 .3013 .2930 97 TYR 97 -1.0108 .3309 999.9900 999.9900 .5630 -.0390 .6765 -.1584 .1895 .0803 98 GLY 98 -.1914 999.9900 999.9900 999.9900 .7883 .2985 .5815 .4754 .5226 .4135 99 HIS 99 -2.1861 -2.4183 999.9900 999.9900 .6686 -1.3119 .6827 .3298 .4768 -.5847 100 ASN 100 -1.9210 -1.7113 999.9900 999.9900 .7518 -.9602 .6742 .3741 .4991 -.3665 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6800 .5125 .5823 -.4238 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6800 .2438 .4307 .3511 Means: -.6219 -1.6066 -.3689 .0380 .7095 -.3260 .6519 .2117 .3959 -.0345 2.00 analyzed_16