1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6773 .5104 .5862 .1760 2 ALA 2 -.3936 999.9900 999.9900 999.9900 .7458 .1761 .6668 .3235 .4665 .3356 3 ASP 3 -1.5723 -3.1847 999.9900 999.9900 .8104 -1.3155 .6747 .3845 .5054 -.5775 4 THR 4 -.2485 999.9900 .4804 999.9900 .4476 .2265 .6590 -.2578 .1242 .2161 5 GLY 5 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5731 .4704 .5160 .3869 6 GLU 6 -2.2616 -.3402 999.9900 -1.0323 .6899 -.7361 .6793 .5281 .5911 -.2895 7 VAL 7 .0764 999.9900 -.2457 999.9900 .7810 .2039 .6609 .1297 .3511 .2805 8 GLN 8 -.6834 -2.6982 999.9900 1.3059 .5113 -.3911 .6721 .5214 .5842 -.0618 9 PHE 9 -.2255 .3244 999.9900 999.9900 .7573 .2854 .6719 .1052 .3413 .3267 10 MET 10 -.3503 -2.5481 999.9900 .9587 .5203 -.3549 .6751 .5143 .5813 -.0383 11 LYS 11 -.4160 -2.9005 999.9900 .1731 .7460 -.4449 .4925 .1507 .2931 -.2259 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5335 -.3659 .0088 .2479 13 PHE 13 -.0168 -2.8600 999.9900 999.9900 .7573 -.7065 .6764 .0928 .3360 -.2701 14 ILE 14 .4877 .4202 999.9900 999.9900 .6034 .5038 .6554 .0468 .3004 .4427 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6768 .5270 .5894 .3246 16 GLU 16 .8171 -.8834 999.9900 1.7325 .6899 .5890 .6719 .5179 .5821 .5910 17 LYS 17 -1.4779 -1.3520 999.9900 -.4035 .7460 -.5782 .6790 .1640 .3786 -.2926 18 SER 18 .1386 999.9900 -.0289 999.9900 .6705 .2601 .6796 .5313 .5931 .3982 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6799 .5286 .5916 .2645 20 LYS 20 -3.5196 -.9566 999.9900 .7184 .7460 -.4587 .6768 .1471 .3678 -.2099 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6718 .5301 .5891 .1536 22 LEU 22 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6752 .1588 .3740 -.3793 23 GLU 23 -.5863 -.2670 999.9900 -1.0323 .6899 -.2989 .6760 .5240 .5874 .0007 24 ILE 24 -.1408 -.1188 999.9900 999.9900 .6034 .1146 .4491 .0562 .2199 .1698 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5281 -.3588 .0107 .2483 26 LEU 26 -.5228 -2.9612 999.9900 999.9900 .9565 -.8425 .6751 .1505 .3691 -.3404 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5789 .4719 .5195 .4743 28 PHE 28 -.5116 -2.4384 999.9900 999.9900 .7573 -.7309 .6769 .1162 .3498 -.2799 29 ASN 29 1.0488 .2165 999.9900 999.9900 .7518 .6724 .6761 .3781 .5023 .6143 30 GLU 30 .0468 -.8834 999.9900 -1.0323 .6899 -.2948 .6792 .5218 .5874 .0037 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6718 -.1745 .1781 -.6416 32 PHE 32 -3.6149 -.2091 999.9900 999.9900 .7573 -1.0222 .5036 .0991 .2676 -.4928 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5372 -.3877 -.0024 .2434 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4829 .3249 .3907 .2776 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5474 -.3659 .0146 .2627 36 PHE 36 -1.5081 -.4187 999.9900 999.9900 .7573 -.3898 .4837 .1003 .2600 -.1171 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5460 -.3479 .0246 .2089 38 ILE 38 -.4906 -.5232 999.9900 999.9900 .6034 -.1368 .6543 .0538 .3040 .0595 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6559 -.2444 .1307 -.1161 40 VAL 40 -.0582 999.9900 .1416 999.9900 .7810 .2881 .6581 .1197 .3440 .3284 41 ASP 41 -.7969 -1.6521 999.9900 999.9900 .8104 -.5462 .6735 .3836 .5044 -.1163 42 LEU 42 -.0977 .6236 999.9900 999.9900 .9565 .4941 .6776 .1690 .3809 .4658 43 LEU 43 .0291 -2.9612 999.9900 999.9900 .9565 -.6585 .6794 .1635 .3785 -.2265 44 ASP 44 -1.5212 -2.4630 999.9900 999.9900 .8104 -1.0579 .6761 .3745 .5002 -.4246 45 TYR 45 -2.5417 -.4266 999.9900 999.9900 .5630 -.8018 .6751 -.1797 .1765 -.3820 46 SER 46 -1.8983 999.9900 -.7153 999.9900 .6705 -.6477 .6805 .5334 .5947 -.1458 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5874 .4719 .5232 -.1527 48 ARG 48 -.6502 .9821 999.9900 .6901 .8581 .5140 .6770 .5116 .5806 .5370 49 SER 49 .0374 999.9900 .6576 999.9900 .6705 .4552 .6717 .5252 .5862 .5125 50 TRP 50 -.2197 -.2441 999.9900 999.9900 .9378 .1580 .6748 .1947 .3947 .2687 51 THR 51 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6551 -.2440 .1306 .0789 52 VAL 52 -.0145 999.9900 .1416 999.9900 .7810 .3027 .6589 .1197 .3443 .3374 53 ARG 53 -.4063 -2.3766 999.9900 .6901 .8581 -.1089 .6750 .5170 .5829 .0925 54 MET 54 -.4857 -.2630 999.9900 .9587 .5203 .1826 .6787 .5184 .5852 .3212 55 LYS 55 -.3223 -.7918 999.9900 -.4035 .7460 -.2350 .6782 .1573 .3743 -.0485 56 LYS 56 -.1765 -2.4344 999.9900 -.4035 .7460 -.5344 .6808 .1456 .3686 -.2637 57 ARG 57 -1.2223 -.4762 999.9900 .7862 .8581 .1464 .6719 .5074 .5759 .2730 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5799 .4709 .5194 .3534 59 GLU 59 -1.0162 -1.9198 999.9900 .3501 .6899 -.4740 .6673 .5121 .5767 -.1194 60 LYS 60 -.2075 -1.3520 999.9900 .1731 .7460 -.0935 .6755 .1544 .3715 .0518 61 VAL 61 .3116 999.9900 -.2457 999.9900 .7810 .2823 .6645 .1245 .3495 .3272 62 PHE 62 -.3916 .2658 999.9900 999.9900 .7573 .2105 .6774 .1093 .3460 .2836 63 LEU 63 -1.0430 -2.4128 999.9900 999.9900 .9565 -.8331 .6813 .1547 .3741 -.3327 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6565 -.2657 .1185 -.7326 65 VAL 65 -1.2071 999.9900 .1416 999.9900 .7810 -.0948 .6546 .1307 .3490 .1002 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5969 .4787 .5312 -.1486 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6766 .1803 .3871 -.4567 68 GLU 68 .6116 -2.8418 999.9900 1.7325 .6899 .0481 .6738 .5171 .5824 .2305 69 ASN 69 1.1678 -2.0766 999.9900 999.9900 .7518 -.0523 .6752 .3760 .5007 .1789 70 PHE 70 .6259 -1.6164 999.9900 999.9900 .7573 -.0777 .6816 .1054 .3455 .1108 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6571 .1290 .3491 .2944 72 LYS 72 .4938 -.5910 999.9900 .5761 .7460 .3602 .6745 .1500 .3686 .3751 73 ASP 73 .2706 -3.1847 999.9900 999.9900 .8104 -.7012 .6800 .3814 .5058 -.2084 74 ASN 74 -.1320 -1.8756 999.9900 999.9900 .7518 -.4186 .6768 .3823 .5050 -.0393 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .7518 -1.2320 .6719 .3726 .4973 -.5303 76 LEU 76 -1.9664 -1.9410 999.9900 999.9900 .9565 -.9836 .6797 .1584 .3756 -.4226 77 GLU 77 -1.1499 -1.3804 999.9900 .3501 .6899 -.3726 .6785 .5336 .5939 -.0464 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6757 .3859 .5066 -.6760 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5767 .4718 .5184 -.4124 80 LYS 80 -.7069 -1.2879 999.9900 -.4035 .7460 -.4111 .6807 .1515 .3720 -.1748 81 TYR 81 .0406 -4.1972 999.9900 999.9900 .5630 -1.1979 .6751 -.1816 .1753 -.6200 82 LEU 82 .0291 .5047 999.9900 999.9900 .9565 .4968 .6797 .1439 .3672 .4628 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6835 .5200 .5882 .0210 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6743 .1087 .3443 -.6018 85 ILE 85 .1597 -.5821 999.9900 999.9900 .6034 .0603 .6583 .0343 .2943 .1747 86 TYR 86 .0686 -3.5861 999.9900 999.9900 .5630 -.9848 .6843 -.1947 .1716 -.4930 87 ASP 87 -2.5838 -1.9171 999.9900 999.9900 .8104 -1.2302 .6784 .3738 .5007 -.5277 88 ARG 88 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .6754 .5160 .5824 -.4193 89 ASP 89 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6788 .3783 .5035 -.9318 90 ARG 90 -2.5097 -2.0954 999.9900 .1593 .8581 -.6857 .6741 .5095 .5781 -.3207 91 THR 91 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6531 -.2421 .1309 .0937 92 PHE 92 .2013 -1.6624 999.9900 999.9900 .7573 -.2346 .6738 .0887 .3325 .0117 93 TYR 93 .3730 -.1547 999.9900 999.9900 .5630 .2604 .6757 -.1973 .1664 .2519 94 VAL 94 -1.1939 999.9900 .2799 999.9900 .7810 -.0443 .6568 .1241 .3461 .1296 95 ILE 95 -.6753 -.4698 999.9900 999.9900 .6034 -.1806 .6486 .0371 .2919 .0288 96 ILE 96 .0813 .4743 999.9900 999.9900 .6034 .3863 .6625 .0390 .2988 .3721 97 TYR 97 -.0819 -1.3952 999.9900 999.9900 .5630 -.3047 .6793 -.1708 .1834 -.0811 98 GLY 98 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5660 .4562 .5050 -.0867 99 HIS 99 -.1922 -3.1083 999.9900 999.9900 .6686 -.8773 .6820 .3261 .4744 -.3248 100 ASN 100 -.8440 -1.8756 999.9900 999.9900 .7518 -.6559 .6774 .3837 .5061 -.1813 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6773 .5245 .5882 -.4223 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6777 .2408 .4281 .3494 Means: -.6571 -1.6224 -.2856 .3215 .7095 -.3015 .6512 .2115 .3956 -.0195 2.00 analyzed_12