1 MET 1 999.9900 -.1452 999.9900 .9587 .5203 .4446 .6068 .6796 .6465 .5240 2 THR 2 -1.7819 999.9900 .7650 999.9900 .1586 -.2861 -.4810 .4916 .0864 -.1695 3 GLU 3 -.9196 .8225 999.9900 .3501 .0339 .0717 -.8375 .0880 -.2976 -.0771 4 VAL 4 -.0463 999.9900 -.5532 999.9900 .6734 .0246 -.8848 .5019 -.0759 -.0618 5 TYR 5 .5758 -.5727 999.9900 999.9900 .1301 .0444 .0554 .4351 .2769 .1247 6 ASP 6 -.3017 -1.3328 999.9900 999.9900 .1786 -.4853 -1.2220 .5068 -.2135 -.4342 7 LEU 7 -.4738 -2.5464 999.9900 999.9900 -3.2047 -2.0750 -1.8436 -.5504 -1.0893 -1.7238 8 GLU 8 -.7635 .7809 999.9900 -1.0323 -1.0906 -.5264 -1.3504 .1611 -.4687 -.5491 9 ILE 9 .0718 -.0414 999.9900 999.9900 -.5989 -.1895 -1.0046 .6168 -.0587 -.1913 10 THR 10 .2564 999.9900 .6346 999.9900 .6112 .5007 -3.4355 .4545 -1.1663 -.2958 11 THR 11 .2973 999.9900 -.8810 999.9900 .8957 .1040 -3.5979 .3078 -1.3196 -.5956 12 ASN 12 -.6931 .2165 999.9900 999.9900 .5940 .0391 .5990 .5223 .5543 .2478 13 ALA 13 -.5304 999.9900 999.9900 999.9900 -.1496 -.3400 .5306 .5500 .5419 .1001 14 THR 14 .4548 999.9900 .2916 999.9900 -.1184 .2093 -.1897 .6804 .3178 .2237 15 ASP 15 -.2149 -1.3328 999.9900 999.9900 .5431 -.3348 .3154 .6326 .5004 -.0113 16 PHE 16 -.3673 .8396 999.9900 999.9900 -.7419 -.0899 .6313 .5008 .5552 .1725 17 PRO 17 .6201 999.9900 999.9900 999.9900 -1.3105 -.3452 -.0869 .4809 .2443 -.0741 18 MET 18 -.8637 .5321 999.9900 1.7963 .7725 .5593 .5337 .4716 .4975 .5404 19 GLU 19 -.3103 -.3402 999.9900 -1.0323 .7566 -.2316 .4846 .6713 .5935 .0383 20 LYS 20 -.4760 .6458 999.9900 .4405 -.3378 .1426 -.4092 .5503 .1505 .1220 21 LYS 21 -.3286 -1.2293 999.9900 1.0171 -.8987 -.0845 -.4084 .0996 -.1121 -.1045 22 TYR 22 .5758 .8376 999.9900 999.9900 -.0463 .4557 .4962 .2938 .3781 .4314 23 PRO 23 .0120 999.9900 999.9900 999.9900 .6188 .3154 .3335 .5118 .4375 .3690 24 ALA 24 -.1113 999.9900 999.9900 999.9900 .7458 .3172 .4200 .5840 .5156 .4096 25 GLY 25 -.0783 999.9900 999.9900 999.9900 -.0291 -.0537 .5599 .6531 .6117 .2764 26 MET 26 -.7385 .2906 999.9900 .9587 -.5376 -.0067 .4378 .6205 .5444 .1719 27 SER 27 .1980 999.9900 -.0289 999.9900 -.0193 .0499 .3688 .4596 .4218 .1956 28 LEU 28 .4996 -2.0611 999.9900 999.9900 .1683 -.4644 .2207 .4884 .3768 -.1368 29 ASN 29 1.3908 .3924 999.9900 999.9900 .1585 .6472 .2989 .3108 .3058 .5103 30 ASP 30 .9343 -1.2611 999.9900 999.9900 .6026 .0919 .6613 .5471 .5947 .2968 31 LEU 31 .9913 -1.4036 999.9900 999.9900 -.6894 -.3672 .2006 .1562 .1747 -.1490 32 LYS 32 .2857 -.3555 999.9900 .3240 -.5755 .0005 -2.6427 .3350 -.9057 -.3293 33 LYS 33 .4938 .5334 999.9900 .4996 .1791 .4411 -.7926 .0707 -.2890 .2119 34 LYS 34 .0419 -2.1617 999.9900 .3240 -.2082 -.3360 .6193 .4989 .5491 -.0802 35 LEU 35 .6296 .1975 999.9900 999.9900 .6708 .4993 .1916 .5290 .3884 .4437 36 GLU 36 .6116 .2661 999.9900 1.1588 -.1261 .4776 .0730 .2044 .1496 .3646 37 LEU 37 1.1349 .5315 999.9900 999.9900 .6708 .7791 .4801 .6436 .5755 .6922 38 VAL 38 -1.0844 999.9900 .6672 999.9900 -.5257 -.3143 .5474 .6266 .5936 .0462 39 VAL 39 -.6856 999.9900 .3968 999.9900 .5521 .0877 .4100 .5570 .4958 .2461 40 GLY 40 .9290 999.9900 999.9900 999.9900 .4101 .6695 .3221 .6741 .5176 .5838 41 THR 41 -1.4183 999.9900 .0483 999.9900 .1092 -.4202 -.2843 -.2677 -.2746 -.3626 42 THR 42 -.1094 999.9900 -.8810 999.9900 -1.6680 -.8861 .4543 .4911 .4758 -.3426 43 VAL 43 .8065 999.9900 .6672 999.9900 -.7002 .2578 .1049 .4386 .2996 .2634 44 ASP 44 .9343 -.3515 999.9900 999.9900 -.0689 .1713 .4005 .6772 .5619 .3183 45 SER 45 .1093 999.9900 -.0289 999.9900 -.0193 .0204 -1.9782 .2549 -.6756 -.3324 46 MET 46 -.9371 -1.4323 999.9900 .9587 -1.9874 -.8495 .0943 .4657 .3110 -.4730 47 ARG 47 -.4945 -.5225 999.9900 .1593 -.7163 -.2829 .6677 .4420 .5361 -.0435 48 ILE 48 .3543 -.0177 999.9900 999.9900 .6034 .3133 .3677 .6499 .5323 .3915 49 GLN 49 -.6834 1.1250 999.9900 1.3059 .6605 .6020 -.0148 .6397 .3670 .5055 50 LEU 50 -.2443 -1.8410 999.9900 999.9900 -.7775 -.9543 -.4752 .5528 .1245 -.5570 51 PHE 51 .1097 .8160 999.9900 999.9900 .0736 .3331 .1215 .3446 .2517 .2931 52 ASP 52 -.8507 -1.8420 999.9900 999.9900 -.2530 -.9819 .0065 .4737 .2790 -.4931 53 GLY 53 .1734 999.9900 999.9900 999.9900 .8277 .5005 .4831 .3661 .4181 .4626 54 ASP 54 -2.8635 -1.4542 999.9900 999.9900 .5431 -1.2582 .3624 .5513 .4726 -.5722 55 ASP 55 -3.3417 -.5059 999.9900 999.9900 .5431 -1.1015 .2707 .4918 .3997 -.5084 56 GLN 56 -1.4685 -.6527 999.9900 1.3059 .6605 -.0387 .0421 .3419 .2170 .0382 57 LEU 57 -.3855 .5315 999.9900 999.9900 .3346 .1602 -.4380 .5902 .1618 .1266 58 LYS 58 .0419 -2.1617 999.9900 .1731 .6576 -.2232 .2339 .1165 .1654 -.1094 59 GLY 59 -.6468 999.9900 999.9900 999.9900 .8016 .0774 -1.8181 .5844 -.4834 -.2697 60 GLU 60 -.5239 .8034 999.9900 1.7325 -.6780 .3335 -.3075 -.2549 -.2768 .1286 61 LEU 61 -3.7702 -1.6805 999.9900 999.9900 -1.2350 -2.2285 -1.8903 .0460 -.7608 -1.7060 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .7246 -1.4543 -.0248 -.1213 -.0810 -.9018 63 ASP 63 -1.4736 -.7868 999.9900 999.9900 .2628 -.6659 -.0323 .3380 .1837 -.3384 64 GLY 64 -2.4582 999.9900 999.9900 999.9900 -1.1231 -1.7906 .0836 .6670 .4078 -.7077 65 ALA 65 -.4579 999.9900 999.9900 999.9900 -.1129 -.2854 .5805 .4920 .5289 .1254 66 LYS 66 -1.4779 -.3555 999.9900 -.4035 -1.0384 -.7358 .0464 .4327 .2717 -.4571 67 SER 67 -.1368 999.9900 -.7153 999.9900 .0290 -.2744 -1.1147 .4212 -.2188 -.3034 68 LEU 68 .8475 .8710 999.9900 999.9900 .6258 .7814 .4111 .0832 .2198 .5677 69 LYS 69 .8536 .7597 999.9900 .4405 -.4892 .4010 .3619 .5401 .4658 .4153 70 ASP 70 1.1285 -1.2276 999.9900 999.9900 .8104 .2371 .3939 .4268 .4131 .3064 71 LEU 71 -.2213 .8847 999.9900 999.9900 .4227 .3620 .5959 .6406 .6220 .4645 72 GLY 72 1.0529 999.9900 999.9900 999.9900 .2296 .6413 .0272 .6452 .3705 .4887 73 VAL 73 -.6856 999.9900 -.2457 999.9900 .5258 -.1352 .0421 .6025 .3690 .0478 74 ARG 74 -2.5097 1.0858 999.9900 .6901 -.0022 -.0092 .4223 .6762 .5704 .1504 75 ASP 75 -.1718 -1.0518 999.9900 999.9900 .5431 -.2268 -.9715 .3710 -.1884 -.2562 76 GLY 76 1.0023 999.9900 999.9900 999.9900 -.3452 .3286 .2876 .6451 .4862 .3975 77 TYR 77 -.3077 .8463 999.9900 999.9900 -.2672 .0905 -1.0473 .3733 -.2186 -.0805 78 ARG 78 -.4636 1.0644 999.9900 .6901 -.5739 .2814 -.8255 .4893 -.0585 .1530 79 ILE 79 .2768 -.0177 999.9900 999.9900 .0546 .1045 -1.4559 .4720 -.3313 -.1340 80 HIS 80 -.5132 .4861 999.9900 999.9900 .3381 .1037 -1.0429 .4260 -.1860 -.0612 81 ALA 81 -.7739 999.9900 999.9900 999.9900 .8416 .0339 -.0488 .6021 .3309 .1552 82 VAL 82 .0429 999.9900 -.5532 999.9900 -.5257 -.3453 .0041 .4977 .2921 -.1068 83 ASP 83 -.1512 -1.4542 999.9900 999.9900 -.7687 -.7914 -.3436 .6181 .2174 -.4199 84 VAL 84 -2.2509 999.9900 -1.0788 999.9900 .6734 -.8854 .0987 .1583 .1335 -.4798 85 THR 85 .1421 999.9900 -.8810 999.9900 -.8522 -.5304 .2845 .3927 .3476 -.1828 86 GLY 86 -1.1293 999.9900 999.9900 999.9900 -.2133 -.6713 -.0033 .1818 .0995 -.2910 87 GLY 87 -1.3851 999.9900 999.9900 999.9900 .0351 -.6750 .4555 .5586 .5128 -.0840 88 ASN 88 -.9320 .0835 999.9900 999.9900 -2.3288 -1.0591 .0414 -.5355 -.2952 -.7343 89 GLU 89 -3.2255 -.3249 999.9900 -1.0323 .0814 -1.1253 -.3408 -.3196 -.3284 -.8603 90 ASP 90 999.9900 -.5059 999.9900 999.9900 999.9900 -.5059 -.3514 .2908 .0155 -.1889 Means: -.3927 -.2934 -.1810 .4746 -.0595 -.1528 -.1798 .4034 .1588 -.0491 2.00 refined_5