1 MET 1 999.9900 .5321 999.9900 .9587 .4206 .6371 .5101 .6494 .5861 .6142 2 ALA 2 -2.0449 999.9900 999.9900 999.9900 -.1129 -1.0789 .1303 .6825 .4524 -.3362 3 ASP 3 -.4620 -.2599 999.9900 999.9900 .5431 -.0596 .2835 .4177 .3618 .1045 4 THR 4 -4.2065 999.9900 .2916 999.9900 .7766 -1.0461 .1763 .5139 .3732 -.4896 5 GLY 5 -.1408 999.9900 999.9900 999.9900 .0351 -.0528 .1870 .3059 .2530 .0968 6 GLU 6 -3.2255 -.3402 999.9900 -1.0323 -.4821 -1.2700 -.5909 -.3782 -.4668 -1.0082 7 VAL 7 .0815 999.9900 -.5532 999.9900 -.9137 -.4618 -.4526 .1342 -.1103 -.3408 8 GLN 8 -.5881 -.0698 999.9900 1.3059 .1188 .1917 -.4206 .3406 .0235 .1145 9 PHE 9 -.0559 -.1460 999.9900 999.9900 .5949 .1310 -.3643 .4295 .0988 .0917 10 MET 10 -.1902 .5321 999.9900 2.6340 .3104 .8216 .1873 .5643 .4072 .6730 11 LYS 11 -.6145 .0381 999.9900 .6133 -2.0338 -.2767 .3932 .3137 .3468 -.0967 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 -.0393 .5396 .2984 .3311 13 PHE 13 -.3673 .7639 999.9900 999.9900 .2815 .2260 .4136 .5190 .4750 .3221 14 ILE 14 -.3198 -3.0500 999.9900 999.9900 -2.1444 -1.8381 -.4372 .1904 -.0711 -1.1522 15 SER 15 .6370 999.9900 -.0289 999.9900 -.4586 .0498 .2619 .4573 .3759 .1738 16 GLU 16 -.6559 .7809 999.9900 -1.0323 -1.8950 -.7006 .3357 .6794 .5362 -.2979 17 LYS 17 -1.4779 -.2695 999.9900 .5131 -1.0384 -.3519 -.5101 .5173 .0892 -.2503 18 SER 18 -.3100 999.9900 -.7153 999.9900 -.0193 -.3482 -.2274 .5167 .2067 -.1511 19 SER 19 .8651 999.9900 -.7153 999.9900 -.0193 .0435 .3588 .6115 .5062 .2202 20 LYS 20 -1.2734 1.1488 999.9900 .6906 .5850 .3683 .0529 .6156 .3811 .3586 21 SER 21 .0280 999.9900 -.0289 999.9900 .3749 .1247 .0765 .4980 .3224 .1897 22 LEU 22 -.1596 -1.8410 999.9900 999.9900 .7753 -.4084 -.3451 .3296 .0485 -.2482 23 GLU 23 -1.1689 .8034 999.9900 -1.0323 -.5746 -.4931 -.0676 .4203 .2170 -.2699 24 ILE 24 -.0879 .6227 999.9900 999.9900 .4912 .3420 .3839 .4912 .4465 .3802 25 PRO 25 .4011 999.9900 999.9900 999.9900 .7618 .5815 .5465 .5799 .5660 .5723 26 LEU 26 .2872 -1.1684 999.9900 999.9900 .0933 -.2626 .4884 .3979 .4356 .0197 27 GLY 27 .9829 999.9900 999.9900 999.9900 .2782 .6305 .6878 .6432 .6630 .6480 28 PHE 28 .0766 .5389 999.9900 999.9900 -.3041 .1038 .5367 .5106 .5215 .2717 29 ASN 29 1.1272 -2.3357 999.9900 999.9900 .4840 -.2415 .6485 .6738 .6633 .1196 30 GLU 30 .0468 -.3559 999.9900 -1.0323 .7127 -.1572 .3651 .5315 .4622 .0447 31 TYR 31 .3338 -.4770 999.9900 999.9900 -.0463 -.0632 -.0497 .5324 .2899 .0586 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -2.2412 -2.2689 -.0917 .1180 .0306 -1.3561 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.8366 -.7801 -2.0180 .0890 -.7889 -.8723 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.1070 -.7752 .3741 .3929 .3851 -.1958 35 PRO 35 -.0828 999.9900 999.9900 999.9900 -1.3105 -.6967 -.2818 .1435 -.0337 -.3829 36 PHE 36 -.8715 -.7766 999.9900 999.9900 .3416 -.4355 -.7119 .4274 -.0473 -.3182 37 PRO 37 .0120 999.9900 999.9900 999.9900 .0500 .0310 -.5888 .5814 .0938 .0136 38 ILE 38 -.3860 -.0177 999.9900 999.9900 .3195 -.0281 .0449 .4789 .2981 .0879 39 THR 39 .3976 999.9900 .2916 999.9900 .4476 .3789 -.3964 .4527 .0989 .2386 40 VAL 40 -.8680 999.9900 .8662 999.9900 .5258 .1747 .2367 -.3674 -.1157 .0786 41 ASP 41 -1.5723 -.5192 999.9900 999.9900 -.3226 -.8047 .0100 .3115 .1859 -.4185 42 LEU 42 .0291 -1.1684 999.9900 999.9900 .3346 -.2682 -.4323 .4573 .0866 -.1560 43 LEU 43 -.3896 -1.8410 999.9900 999.9900 .6258 -.5349 -.3445 .4486 .1182 -.3001 44 ASP 44 -1.3478 -.5059 999.9900 999.9900 .0375 -.6054 .2582 .2267 .2398 -.2663 45 TYR 45 1.1722 -.0856 999.9900 999.9900 -.0463 .3468 .5132 .5003 .5057 .4108 46 SER 46 -2.4175 999.9900 -.7153 999.9900 -.3810 -1.1713 .3835 .3633 .3717 -.5534 47 GLY 47 -2.6716 999.9900 999.9900 999.9900 .0351 -1.3182 -.0470 .4125 .2083 -.5677 48 ARG 48 -.3796 -.2334 999.9900 .5548 -.4506 .0092 -.1777 .6541 .3075 .0746 49 SER 49 -.0741 999.9900 .6576 999.9900 .7576 .4470 -.8047 .5192 -.0324 .2111 50 TRP 50 -.6468 -.4963 999.9900 999.9900 -.9146 -.6859 .0891 .5683 .3686 -.2801 51 THR 51 -1.0713 999.9900 .7650 999.9900 -1.0006 -.4356 -.2398 .4383 .1557 -.2217 52 VAL 52 -.3637 999.9900 -1.0788 999.9900 .1768 -.4219 -.0091 .5992 .3457 -.1351 53 ARG 53 -.6502 1.1699 999.9900 .1593 -.0761 .1524 .1501 .6105 .4187 .2175 54 MET 54 -.1025 .5321 999.9900 .9587 .0476 .3590 .6479 .4740 .5464 .4263 55 LYS 55 -1.0774 .7597 999.9900 .9771 .5595 .4392 .4651 .4276 .4433 .4413 56 LYS 56 -.2858 .4083 999.9900 -.0770 .5595 .1056 -1.1645 .4530 -.2210 -.0262 57 ARG 57 -1.5415 1.0644 999.9900 .1593 -.0022 -.0321 -.1699 .4312 .1807 .0144 58 GLY 58 -1.5840 999.9900 999.9900 999.9900 -.0631 -.8235 -.2656 .6585 .2478 -.3135 59 GLU 59 -.4919 -.6255 999.9900 .3501 .7127 -.0137 -.0510 .2176 .1057 .0187 60 LYS 60 -.3038 -.9951 999.9900 .2868 .2547 -.0941 .2103 .4534 .3521 .0276 61 VAL 61 .0764 999.9900 .8055 999.9900 .3827 .4215 -.1846 .5650 .2527 .3290 62 PHE 62 -.0017 .1033 999.9900 999.9900 -.3041 -.0675 -1.2302 .5478 -.1930 -.1770 63 LEU 63 -.7582 -.2519 999.9900 999.9900 -2.5031 -1.1711 -.5896 -.0491 -.2743 -.8304 64 THR 64 -3.2663 999.9900 -.8810 999.9900 -2.7258 -2.2910 -.3171 .1910 -.0207 -1.3998 65 VAL 65 -1.7159 999.9900 -1.0788 999.9900 -2.2406 -1.6784 -.4627 .1321 -.1157 -1.0732 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 -1.2432 -1.7679 -.3633 -.3159 -.3370 -1.0538 67 TRP 67 .4280 .0052 999.9900 999.9900 .4467 .2933 .2804 .5523 .4390 .3425 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 -.9305 -1.0905 .1289 -.9607 -.5067 -.8657 69 ASN 69 .7786 -1.0869 999.9900 999.9900 .1585 -.0500 -.6533 .3938 -.0424 -.0819 70 PHE 70 .6259 -.6014 999.9900 999.9900 -.9498 -.3084 .4060 .5623 .4972 .0086 71 VAL 71 .7260 999.9900 -1.0788 999.9900 .6959 .1144 .2479 .5881 .4464 .2358 72 LYS 72 .6751 1.1634 999.9900 -.0397 -.8987 .1721 .6213 .6210 .6211 .3004 73 ASP 73 .2706 -.5059 999.9900 999.9900 .3772 .0473 .3796 .3223 .3462 .1688 74 ASN 74 -.1320 -.2034 999.9900 999.9900 .3587 .0077 .4310 .2775 .3414 .1463 75 ASN 75 -3.4329 -1.2512 999.9900 999.9900 .3127 -1.4571 .0120 .0396 .0281 -.8640 76 LEU 76 -.7369 -2.4128 999.9900 999.9900 -1.0998 -1.4165 -.3783 -.1346 -.2361 -.9525 77 GLU 77 -1.9801 -.9977 999.9900 -1.0323 .4218 -.8971 .3516 .2548 .2951 -.4970 78 ASP 78 -.5899 -1.0518 999.9900 999.9900 .1337 -.5027 -.1733 .5990 .2772 -.2165 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.3452 -1.1446 -.0008 .5152 .2858 -.4437 80 LYS 80 -.2741 1.2989 999.9900 .5131 -.5755 .2951 .1168 .5727 .3828 .3093 81 TYR 81 -.0390 .8258 999.9900 999.9900 -1.0119 -.0751 -.2376 .6396 .2741 .0354 82 LEU 82 .1006 .8730 999.9900 999.9900 -.7775 .0654 -.5758 .6392 .1330 .0519 83 GLN 83 -.1966 .2203 999.9900 1.3059 .1188 .3621 .1959 .4014 .3158 .3410 84 PHE 84 -.2255 .8396 999.9900 999.9900 -.5721 .0140 -.0761 .6048 .3211 .1141 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .4509 -.8131 -.4662 .3170 -.0093 -.5177 86 TYR 86 -.0287 .5380 999.9900 999.9900 .5127 .3407 .3066 .2881 .2958 .3233 87 ASP 87 -1.9993 -.3515 999.9900 999.9900 -2.9873 -1.7794 .3541 -.3315 -.0459 -1.0631 88 ARG 88 -2.9267 -.4990 999.9900 .1593 -.2445 -.6703 -1.5050 -.2095 -.7493 -.7237 89 ASP 89 -3.3417 -1.6521 999.9900 999.9900 -.4783 -1.8240 -1.3861 -.6582 -.9615 -1.5033 90 ARG 90 -1.7561 .1897 999.9900 .1593 -.5739 -.3643 -.2817 -.0193 -.1286 -.3032 91 THR 91 .2184 999.9900 .0483 999.9900 .4476 .2381 -.4363 .1910 -.0704 .0938 92 PHE 92 .1097 .1608 999.9900 999.9900 .2172 .1626 .0410 .5226 .3220 .2103 93 TYR 93 .2641 .2608 999.9900 999.9900 .1301 .2183 .3804 .4686 .4318 .3008 94 VAL 94 .3116 999.9900 -.0276 999.9900 -.9137 -.2099 .0865 .5354 .3483 -.0016 95 ILE 95 .3408 -.0177 999.9900 999.9900 -1.4322 -.3697 .0197 .3251 .1979 -.1529 96 ILE 96 .2768 .2838 999.9900 999.9900 .1133 .2246 .3103 .6575 .5128 .3283 97 TYR 97 .0017 .8492 999.9900 999.9900 .7784 .5431 .3004 .4667 .3974 .4793 98 GLY 98 -.0934 999.9900 999.9900 999.9900 .8897 .3981 .3096 .6823 .5166 .4470 99 HIS 99 -.7615 .5126 999.9900 999.9900 -.6493 -.2994 -.2531 .6619 .2806 -.0979 100 ASN 100 -1.1452 -1.4522 999.9900 999.9900 -1.7070 -1.4348 .1172 .3280 .2402 -.7718 101 MET 101 -.6843 .5321 999.9900 .9587 .4206 .3068 .0430 .6545 .3997 .3208 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .1980 .4545 .3446 .2607 Means: -.5897 -.2667 -.1603 .2979 -.2249 -.2790 -.0500 .3776 .1987 -.1084 2.00 refined_13