1 MET 1 999.9900 .5321 999.9900 .9587 .6113 .7007 .5158 .6489 .5884 .6534 2 ALA 2 -1.1160 999.9900 999.9900 999.9900 .4617 -.3271 .3006 .6576 .5088 .0760 3 ASP 3 .0214 -.5192 999.9900 999.9900 -.6624 -.3867 -.8366 .4988 -.0576 -.2996 4 THR 4 -1.5232 999.9900 .9776 999.9900 .6695 .0413 .1188 .5142 .3494 .1514 5 GLY 5 -.1741 999.9900 999.9900 999.9900 -.0291 -.1016 -.5954 .5166 .0223 -.0705 6 GLU 6 -3.2255 .6046 999.9900 -1.0323 -2.5035 -1.5392 .0307 .0654 .0509 -1.0101 7 VAL 7 .0815 999.9900 .1416 999.9900 -1.3636 -.3802 -.4308 .1332 -.1018 -.2876 8 GLN 8 -.5591 1.1250 999.9900 1.3059 -.0576 .4535 -.3823 .6181 .2013 .3416 9 PHE 9 .2406 .7639 999.9900 999.9900 .5495 .5180 -.2955 .4050 .1131 .3327 10 MET 10 -.2922 -.2135 999.9900 .9587 .9122 .3413 .3538 .6204 .5093 .3899 11 LYS 11 -.8267 .7114 999.9900 .4778 -1.4057 -.1131 .4651 .2286 .3272 .0183 12 PRO 12 .4011 999.9900 999.9900 999.9900 -.4005 .0003 -.2718 .4292 .1371 .0395 13 PHE 13 .0966 -.2091 999.9900 999.9900 .5949 .1608 .2288 .5387 .4096 .2500 14 ILE 14 .0718 -3.0500 999.9900 999.9900 -2.8566 -1.9450 -.4950 -.1067 -.2685 -1.2873 15 SER 15 1.1864 999.9900 -.7153 999.9900 .6931 .3880 .2481 .3240 .2923 .3472 16 GLU 16 .3258 .6046 999.9900 .3501 -.6780 .1506 -.0075 .5948 .3438 .1983 17 LYS 17 -.4760 -.2695 999.9900 .3546 .7872 .1502 -1.0653 .2950 -.2718 -.0027 18 SER 18 -.3100 999.9900 -.7153 999.9900 .0747 -.3169 -1.0094 .1860 -.3121 -.3548 19 SER 19 .8651 999.9900 -.7153 999.9900 .1994 .1164 .6499 .6157 .6299 .3230 20 LYS 20 -1.6740 1.1188 999.9900 -.4035 -.2707 -.3266 .2582 .2016 .2252 -.1676 21 SER 21 -.2454 999.9900 .6576 999.9900 -1.3611 -.3163 -.4493 .2985 -.0131 -.2199 22 LEU 22 -.0536 -2.2115 999.9900 999.9900 .9565 -.4362 -1.1825 .1100 -.4285 -.4762 23 GLU 23 -.9070 -.6022 999.9900 1.7325 .6424 .2164 -.0697 .4829 .2527 .2132 24 ILE 24 .0718 .6227 999.9900 999.9900 1.0081 .5675 .4004 .5133 .4663 .5233 25 PRO 25 .3725 999.9900 999.9900 999.9900 .5793 .4759 .5534 .5747 .5658 .5200 26 LEU 26 .2872 .8730 999.9900 999.9900 .1315 .4306 .6707 .6826 .6776 .5290 27 GLY 27 .5723 999.9900 999.9900 999.9900 .6270 .5996 .6384 .6641 .6527 .6254 28 PHE 28 .1779 .4845 999.9900 999.9900 .2172 .2932 .6333 .5652 .5936 .4156 29 ASN 29 .7786 -.3237 999.9900 999.9900 .5940 .3496 .5038 .4706 .4844 .4046 30 GLU 30 -.2702 .8793 999.9900 .3501 -.4821 .1193 .3481 .4780 .4239 .2172 31 TYR 31 -.4658 .8376 999.9900 999.9900 .8158 .3959 .5124 .6014 .5643 .4603 32 PHE 32 -.7849 -2.5581 999.9900 999.9900 -2.2412 -1.8614 .4910 .3445 .4056 -.9497 33 PRO 33 -2.9776 999.9900 999.9900 999.9900 .1187 -1.4294 .4523 -.0073 .1842 -.6035 34 ALA 34 -2.4409 999.9900 999.9900 999.9900 .2908 -1.0751 .4756 .4089 .4367 -.3164 35 PRO 35 -.3299 999.9900 999.9900 999.9900 -.6674 -.4987 .2669 .5763 .4474 -.0385 36 PHE 36 -1.4107 .8308 999.9900 999.9900 .2172 -.1209 .2656 .4529 .3748 .0711 37 PRO 37 -.2605 999.9900 999.9900 999.9900 .7618 .2507 -.0093 .6640 .3834 .2890 38 ILE 38 -1.5441 -.0177 999.9900 999.9900 .4912 -.3569 .2273 .6084 .4496 -.0470 39 THR 39 .3976 999.9900 -.8810 999.9900 .9813 .1659 -.1956 .6284 .2851 .1861 40 VAL 40 -.0582 999.9900 .7395 999.9900 .1378 .2730 -.2001 .0478 -.0555 .1333 41 ASP 41 -.4836 -.9533 999.9900 999.9900 .0868 -.4500 .2017 .6538 .4654 -.0989 42 LEU 42 -.2443 -1.2835 999.9900 999.9900 -.1723 -.5667 -.0456 .4571 .2477 -.2577 43 LEU 43 -.3075 -1.8410 999.9900 999.9900 .6926 -.4853 -.9219 .3444 -.1832 -.4067 44 ASP 44 -1.3478 -2.8653 999.9900 999.9900 .8336 -1.1265 .1413 .3252 .2485 -.5826 45 TYR 45 .0017 .4290 999.9900 999.9900 .1301 .1869 -.0042 .0117 .0050 .1136 46 SER 46 -.5057 999.9900 -.0289 999.9900 .3425 -.0641 .4823 .5541 .5242 .1688 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 -.0291 -1.7577 .1903 .6669 .4551 -.6646 48 ARG 48 -.5733 .4622 999.9900 .1593 -.4506 -.0486 .3954 .3044 .3423 .0653 49 SER 49 .0374 999.9900 .6576 999.9900 -.4586 .0788 -.5920 .4679 .0263 .0225 50 TRP 50 -.1951 -1.0414 999.9900 999.9900 -.4740 -.5702 -2.0999 .0998 -.8168 -.7421 51 THR 51 -1.0713 999.9900 .2916 999.9900 -1.1761 -.6519 -.6703 .0364 -.2581 -.5179 52 VAL 52 -.5494 999.9900 -1.0788 999.9900 .3189 -.4364 -.7576 .4931 -.0280 -.3148 53 ARG 53 -.6502 .7037 999.9900 .1593 -.0022 .0740 -.3667 .5843 .1881 .0839 54 MET 54 -.2651 .5072 999.9900 .9587 .3104 .3778 -1.3163 .2836 -.3830 .0798 55 LYS 55 -.1919 .8596 999.9900 -.0770 -.4892 .0049 -.6635 .4846 .0062 -.0220 56 LYS 56 -.7069 .1030 999.9900 .8769 .1791 .2658 -2.9156 -.1580 -1.3070 -.2492 57 ARG 57 -1.1879 1.0858 999.9900 .1593 -.4506 -.0468 -.7048 .2315 -.1586 -.1010 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .4101 -1.1307 -1.0797 .5958 -.1489 -.6863 59 GLU 59 -1.0162 .4305 999.9900 -1.0323 -1.0906 -.6772 .4636 .6165 .5528 -.2714 60 LYS 60 -.2075 -1.6955 999.9900 .3546 .6576 -.1072 -.6582 -.0846 -.3236 -.1827 61 VAL 61 .1158 999.9900 -.2457 999.9900 -1.1891 -.4397 -2.6486 .3786 -.8827 -.7178 62 PHE 62 .0900 .1357 999.9900 999.9900 .5949 .2735 -.4666 .3721 .0226 .1452 63 LEU 63 -.4065 -1.4036 999.9900 999.9900 -2.5031 -1.4377 -.2414 -.2791 -.2634 -.9667 64 THR 64 -3.2663 999.9900 -.8810 999.9900 -1.6680 -1.9384 .2411 .3397 .2986 -1.0469 65 VAL 65 -.6207 999.9900 -.0276 999.9900 .2505 -.1326 .3622 .5796 .4890 .1088 66 GLY 66 -1.2645 999.9900 999.9900 999.9900 .5069 -.3788 -.7394 .4952 -.0535 -.2505 67 TRP 67 .9492 -.0877 999.9900 999.9900 .4467 .4361 -.3875 .5714 .1719 .2984 68 GLU 68 .3258 -.3402 999.9900 -1.0323 -1.5390 -.6464 .1390 -.9619 -.5032 -.5681 69 ASN 69 .9310 1.2520 999.9900 999.9900 .7224 .9685 .3970 .5993 .5150 .7804 70 PHE 70 .6259 .1483 999.9900 999.9900 .7193 .4978 .6368 .5951 .6124 .5451 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5776 .1817 -.1742 .5570 .2523 .1856 72 LYS 72 .6780 .1761 999.9900 -.0397 -.1497 .1250 .6255 .5400 .5756 .2558 73 ASP 73 .2706 -2.4630 999.9900 999.9900 -2.2874 -1.4933 .2476 .4898 .3889 -.7485 74 ASN 74 .3429 -.8859 999.9900 999.9900 -.3577 -.3002 .1605 .3970 .2985 -.0686 75 ASN 75 -2.3558 -.5828 999.9900 999.9900 -.4633 -1.1340 -.8140 .2730 -.1800 -.7886 76 LEU 76 -2.2364 -1.1113 999.9900 999.9900 -1.0998 -1.4825 -2.0618 -1.1634 -1.5377 -1.5346 77 GLU 77 -.9196 -.3402 999.9900 -1.0323 .4526 -.4599 .0990 -.3654 -.1719 -.3510 78 ASP 78 -.7312 -.7868 999.9900 999.9900 -.1266 -.5482 -.1461 .5202 .2426 -.2541 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.8367 -1.0696 .2299 .5396 .4020 -.3424 80 LYS 80 -.2400 .0031 999.9900 -.0770 .0525 -.0677 .1609 .0965 .1233 -.0116 81 TYR 81 .1961 .8258 999.9900 999.9900 -.7591 .0876 .5573 .5758 .5681 .2792 82 LEU 82 -.6392 .3261 999.9900 999.9900 -.8739 -.3957 -.1924 .4380 .1753 -.1883 83 GLN 83 -.2750 -.2368 999.9900 1.3059 .1188 .2282 -.4936 .4347 .0479 .1423 84 PHE 84 -.2457 .1608 999.9900 999.9900 -.9498 -.3449 -.7118 .5228 .0084 -.2447 85 ILE 85 -.0022 .6227 999.9900 999.9900 .2717 .2974 -1.1108 .4019 -.2284 .0366 86 TYR 86 .0686 -.2699 999.9900 999.9900 .7393 .1793 -.0833 .2601 .1170 .1430 87 ASP 87 -3.3417 -1.3328 999.9900 999.9900 .5431 -1.3771 .0808 .6440 .4094 -.6813 88 ARG 88 -2.9267 -.7463 999.9900 .1593 -2.3710 -1.1451 .2357 -.5118 -.2003 -.8573 89 ASP 89 -1.5212 -1.6521 999.9900 999.9900 .7118 -.8205 -.8459 -.7244 -.7750 -.8064 90 ARG 90 -.7709 -.0419 999.9900 .5548 -.0022 .0589 -.0179 .3676 .2070 .0920 91 THR 91 .1937 999.9900 .9776 999.9900 .6695 .6136 -.2868 .4590 .1483 .4026 92 PHE 92 .1032 .5510 999.9900 999.9900 -.4285 .0752 -.4049 .5253 .1377 .0692 93 TYR 93 -.2255 -.3674 999.9900 999.9900 -.1498 -.2475 -.5317 .1507 -.1336 -.2247 94 VAL 94 -.3909 999.9900 -.2457 999.9900 .1768 -.1533 -.2217 .4961 .1970 -.0371 95 ILE 95 .2866 .6227 999.9900 999.9900 .7362 .5485 -.1648 .5498 .2520 .4061 96 ILE 96 .0718 -1.0451 999.9900 999.9900 .1133 -.2867 -.4601 .6035 .1603 -.1433 97 TYR 97 .2346 -1.2283 999.9900 999.9900 -1.9776 -.9905 -.5058 -.6257 -.5757 -.8206 98 GLY 98 -.7504 999.9900 999.9900 999.9900 -2.3699 -1.5602 .5322 -.6859 -.1445 -.8185 99 HIS 99 -2.1861 -.5551 999.9900 999.9900 -.3908 -1.0440 .2644 -.0137 .1022 -.5763 100 ASN 100 -2.3558 -1.2512 999.9900 999.9900 -.4633 -1.3568 .3698 -.1814 .0483 -.7764 101 MET 101 -2.6662 .5321 999.9900 .9587 .0476 -.2820 -.6099 .6249 .1104 -.1855 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 -.4254 .1922 -.0725 .3529 Means: -.5671 -.2385 -.0462 .2581 -.1603 -.2444 -.1784 .3241 .1138 -.1225 2.00 refined_3