1 MET 1 999.9900 .5321 999.9900 .9587 -.1136 .4591 -.1805 .6472 .2710 .3688 2 ALA 2 -1.5408 999.9900 999.9900 999.9900 -.3130 -.9269 -.4578 .4956 .0984 -.4540 3 ASP 3 -1.5723 -.2599 999.9900 999.9900 .1337 -.5661 -.0271 .4337 .2417 -.2584 4 THR 4 -3.2663 999.9900 .2916 999.9900 .2056 -.9230 .2542 .4368 .3607 -.4156 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 -.5578 -2.0221 -2.4315 .6227 -.7347 -1.4632 6 GLU 6 -2.3953 .6046 999.9900 -1.0323 -2.5035 -1.3316 -.1960 .5238 .2239 -.8331 7 VAL 7 .0815 999.9900 -1.0788 999.9900 -.6089 -.5354 -.1385 -.1712 -.1576 -.3832 8 GLN 8 -.3746 .8911 999.9900 1.3059 .5636 .5965 -.5883 .5285 .0632 .3877 9 PHE 9 .2406 .4845 999.9900 999.9900 .4513 .3921 -.2999 .4258 .1235 .2605 10 MET 10 -.1025 .5321 999.9900 .9587 .9122 .5751 .3154 .6374 .5032 .5422 11 LYS 11 -.3099 .0381 999.9900 .8261 -.4103 .1940 .2953 .2415 .2639 .2153 12 PRO 12 .0321 999.9900 999.9900 999.9900 .9143 .4732 -.6081 -.0180 -.2639 .0801 13 PHE 13 -.3673 -1.3810 999.9900 999.9900 -.7419 -.8301 -.0575 -.0009 -.0245 -.5097 14 ILE 14 .0187 .6227 999.9900 999.9900 -.8571 -.0719 .6054 .3899 .4797 .1559 15 SER 15 .8349 999.9900 .3727 999.9900 .3088 .5055 .0921 .6037 .3905 .4424 16 GLU 16 .4426 1.1195 999.9900 -1.0323 -.4821 .0119 .5002 .6213 .5709 .1949 17 LYS 17 -2.0221 -.5490 999.9900 .8261 -.6710 -.3180 .2028 .1834 .1915 -.1720 18 SER 18 -.9964 999.9900 .8786 999.9900 -2.5979 -.9052 .0828 .3629 .2462 -.4540 19 SER 19 .6980 999.9900 1.0592 999.9900 -.2435 .5046 -.4556 .3707 .0264 .2858 20 LYS 20 -3.5196 .1550 999.9900 .4996 -2.0338 -.8798 -.2135 .3033 .0880 -.6156 21 SER 21 -.5665 999.9900 -.0289 999.9900 .3749 -.0735 .5371 .2694 .3810 .1172 22 LEU 22 -.6392 .5563 999.9900 999.9900 .0933 .0035 .4863 .4962 .4921 .1986 23 GLU 23 -.5863 1.0486 999.9900 -1.0323 -1.8950 -.6162 .2547 .4819 .3872 -.2881 24 ILE 24 .2768 .6122 999.9900 999.9900 .7362 .5417 .4788 .3602 .4096 .4928 25 PRO 25 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .5732 .4535 .5034 .3132 26 LEU 26 .8786 -1.6805 999.9900 999.9900 .7753 -.0089 .4807 .4725 .4759 .1853 27 GLY 27 .9829 999.9900 999.9900 999.9900 -.4997 .2416 .6079 .6933 .6553 .4461 28 PHE 28 -.5116 .3244 999.9900 999.9900 .2815 .0314 .5484 .6072 .5827 .2500 29 ASN 29 .7786 1.2520 999.9900 999.9900 -.7214 .4364 .3235 .2648 .2892 .3795 30 GLU 30 .0468 .7809 999.9900 .3501 .7566 .4836 .1932 .3953 .3111 .4205 31 TYR 31 -.2520 .2775 999.9900 999.9900 -.0463 -.0069 .2701 .5570 .4374 .1612 32 PHE 32 -.7450 .9147 999.9900 999.9900 -.4285 -.0863 .3933 .2479 .3085 .0765 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .1827 -.0569 .3466 .2683 .3009 .1253 34 ALA 34 .7636 999.9900 999.9900 999.9900 -.7624 .0006 -.3864 .0183 -.1503 -.0917 35 PRO 35 -.6122 999.9900 999.9900 999.9900 -.0243 -.3183 .3855 .5173 .4624 .0666 36 PHE 36 -.8715 .9147 999.9900 999.9900 -.0075 .0119 .2235 .5553 .4170 .1629 37 PRO 37 .0120 999.9900 999.9900 999.9900 .1827 .0974 -.7609 .3100 -.1362 -.0640 38 ILE 38 -2.4302 -.0177 999.9900 999.9900 -.4906 -.9795 .1713 .6115 .4281 -.4312 39 THR 39 .3976 999.9900 .0483 999.9900 .2056 .2172 .2140 .5692 .4212 .2869 40 VAL 40 -.0582 999.9900 .7395 999.9900 .6959 .4591 .3521 -.0946 .0915 .3269 41 ASP 41 -.4836 -.7868 999.9900 999.9900 -.3974 -.5560 -.0442 .4778 .2603 -.2469 42 LEU 42 .1006 -1.0719 999.9900 999.9900 .7753 -.0653 .1825 .3084 .2559 .0590 43 LEU 43 -.1897 -1.4262 999.9900 999.9900 .7348 -.2937 -.7606 .4824 -.0355 -.2319 44 ASP 44 -1.0941 -.2599 999.9900 999.9900 .5121 -.2807 .5670 .4129 .4771 .0276 45 TYR 45 .8857 .7834 999.9900 999.9900 .7393 .8028 .5045 .5999 .5601 .7026 46 SER 46 .8651 999.9900 -.0289 999.9900 .7576 .5313 .5891 .6367 .6168 .5639 47 GLY 47 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5731 .6715 .6278 .4491 48 ARG 48 -.6502 1.0644 999.9900 .1593 .9385 .3342 .5122 .5962 .5612 .3971 49 SER 49 -.2734 999.9900 -.0289 999.9900 .7151 .1376 -.2574 .6393 .2657 .1590 50 TRP 50 .1337 -1.4740 999.9900 999.9900 -.9146 -.7516 -1.8278 .0894 -.7094 -.7987 51 THR 51 -1.0713 999.9900 -.8810 999.9900 -.8522 -.9348 -.7596 .2194 -.1885 -.6689 52 VAL 52 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 -.5542 .6233 .1327 -.1239 53 ARG 53 -.5383 1.0644 999.9900 1.6274 -.0022 .7557 -.4877 .5917 .1420 .5547 54 MET 54 -.3206 .8879 999.9900 .9587 -.3043 .3054 -.6647 .5024 .0161 .1766 55 LYS 55 -.3609 1.1488 999.9900 -.4035 .2547 .0471 .0879 .4379 .2921 .1088 56 LYS 56 -.4232 .0381 999.9900 -.4035 .7669 -.0851 -1.5258 .1558 -.5449 -.2565 57 ARG 57 -1.0405 1.0858 999.9900 .1593 .7064 .2141 -.5972 .5609 .0783 .1477 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 -.8367 -1.3904 -1.1088 .6831 -.1133 -.8016 59 GLU 59 -.4382 -.2670 999.9900 -1.0323 -.7952 -.6332 .2547 .5618 .4339 -.2860 60 LYS 60 -.2799 .1550 999.9900 .1731 -2.6618 -.4881 -.1938 .4423 .1772 -.3132 61 VAL 61 -.2674 999.9900 -.2457 999.9900 -.5257 -.3462 -.6057 .2903 -.0830 -.2708 62 PHE 62 -.0168 .4845 999.9900 999.9900 -.4285 .0131 -.7138 .2693 -.1403 -.0810 63 LEU 63 .0762 -2.1315 999.9900 999.9900 .5293 -.5087 -.4878 .4736 .0730 -.3080 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .2056 -1.6273 -.0245 .0440 .0154 -.9725 65 VAL 65 -.4485 999.9900 -.5532 999.9900 .6503 -.1171 .4530 .5986 .5379 .1400 66 GLY 66 -1.6434 999.9900 999.9900 999.9900 -1.2432 -1.4433 .1959 .6314 .4378 -.5148 67 TRP 67 .9492 .5502 999.9900 999.9900 .7198 .7397 -.5586 .4290 .0175 .4179 68 GLU 68 .8733 -1.5476 999.9900 -1.0323 -.1867 -.4733 .1485 -.5257 -.2448 -.3784 69 ASN 69 .6990 -.1227 999.9900 999.9900 -.1777 .1329 -.1199 .5962 .2978 .1750 70 PHE 70 .8041 -.1636 999.9900 999.9900 -.9498 -.1031 -.1155 .6633 .3388 .0477 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .2853 .0633 -.1361 .4298 .1940 .0967 72 LYS 72 .6780 1.1488 999.9900 1.0171 .7460 .9214 .4143 .5098 .4700 .7902 73 ASP 73 .9921 -1.7105 999.9900 999.9900 -.7687 -.4957 .5106 .5298 .5218 -.0893 74 ASN 74 .3429 .3778 999.9900 999.9900 .4442 .3883 .5433 .3904 .4541 .4197 75 ASN 75 -2.1824 .2165 999.9900 999.9900 .3127 -.5511 .0216 .1701 .1082 -.2923 76 LEU 76 -2.2364 .5236 999.9900 999.9900 .9730 -.2466 -.8947 -.3170 -.5577 -.3903 77 GLU 77 -1.2742 -.3402 999.9900 1.1588 .6899 .0586 .2238 .4060 .3301 .1440 78 ASP 78 -1.5212 -1.1062 999.9900 999.9900 .5431 -.6947 -.0886 .4830 .2448 -.3380 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.0291 -.9866 .3136 .6354 .4924 -.2560 80 LYS 80 -.2741 -1.9682 999.9900 .3240 .6340 -.1920 -.8187 .1573 -.2494 -.2316 81 TYR 81 -.3989 .2551 999.9900 999.9900 -.4027 -.1822 .3813 .4890 .4441 .0648 82 LEU 82 -.0536 .3099 999.9900 999.9900 .4774 .2446 .2008 .3837 .3075 .2636 83 GLN 83 -.3964 .1562 999.9900 1.3059 .0346 .2751 .0481 .3917 .2485 .2567 84 PHE 84 -.2255 .8396 999.9900 999.9900 -.3041 .1033 .0738 .6445 .4067 .2057 85 ILE 85 -.3198 .6227 999.9900 999.9900 -1.4322 -.3764 -.1028 .4828 .2388 -.1498 86 TYR 86 .1961 .4609 999.9900 999.9900 -.0463 .2035 .0599 .1289 .1001 .1599 87 ASP 87 -1.7533 -1.2611 999.9900 999.9900 .7866 -.7426 -.7428 -.9721 -.8766 -.7885 88 ARG 88 -.7709 -.3921 999.9900 .1593 .6728 -.0343 .6296 .4715 .5374 .1328 89 ASP 89 -2.3854 -.7325 999.9900 999.9900 -.5661 -1.2280 -1.9467 -.1401 -.8928 -1.1542 90 ARG 90 -1.3391 -.7463 999.9900 .7862 -.5739 -.2174 -.0417 .5535 .3055 -.0822 91 THR 91 .3531 999.9900 -.2947 999.9900 -.1848 -.0421 .2164 .5669 .4208 .1314 92 PHE 92 .1032 .5510 999.9900 999.9900 -.0075 .2156 -.1022 .3061 .1360 .1701 93 TYR 93 .0686 .2608 999.9900 999.9900 .1301 .1532 .0400 .3288 .2084 .1656 94 VAL 94 -.9687 999.9900 -1.0788 999.9900 -.0858 -.7111 .2891 .4808 .4009 -.2727 95 ILE 95 -.2736 -1.0451 999.9900 999.9900 .2216 -.3657 -.2351 .3952 .1326 -.1874 96 ILE 96 .2593 -.0177 999.9900 999.9900 -.1449 .0322 .0683 .6036 .3806 .1537 97 TYR 97 .0868 .8258 999.9900 999.9900 -.2672 .2151 -1.0710 .2205 -.3176 -.0410 98 GLY 98 -1.0150 999.9900 999.9900 999.9900 .6270 -.1940 -1.5257 .3297 -.4949 -.3960 99 HIS 99 -.1922 1.1349 999.9900 999.9900 -.3908 .1840 -.5667 .3875 -.0101 .0745 100 ASN 100 -1.0313 .1235 999.9900 999.9900 -2.3288 -1.0789 -.1838 -.1354 -.1555 -.7112 101 MET 101 -2.6662 -1.5870 999.9900 .9587 .6113 -.6708 -.1613 -.1061 -.1291 -.4918 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .3985 .5691 .4959 .6101 Means: -.5071 .0389 -.1581 .3665 -.0839 -.1378 -.0860 .3729 .1808 -.0295 2.00 refined_16