1 MET 1 999.9900 .8879 999.9900 1.7963 .6113 1.0985 .0159 .6231 .3471 .7869 2 ALA 2 -1.7824 999.9900 999.9900 999.9900 .2908 -.7458 -.0611 .6830 .3730 -.2174 3 ASP 3 -1.0941 -1.0518 999.9900 999.9900 .6026 -.5145 -.6801 .4577 -.0164 -.3532 4 THR 4 -.1311 999.9900 -.2947 999.9900 -.8522 -.4260 .1994 .3294 .2752 -.1498 5 GLY 5 -.9638 999.9900 999.9900 999.9900 .5429 -.2105 -.5897 .3546 -.0651 -.1640 6 GLU 6 -1.6450 -.8169 999.9900 1.1588 .2865 -.2541 -.7573 .3762 -.0961 -.2330 7 VAL 7 .0764 999.9900 -1.0788 999.9900 .3189 -.2278 -.5580 .3826 -.0093 -.1718 8 GLN 8 -.3854 .4660 999.9900 1.3059 -.0576 .3322 .1823 .2775 .2379 .2981 9 PHE 9 .1225 -.4187 999.9900 999.9900 .2172 -.0263 .1636 .4478 .3294 .1065 10 MET 10 -.2922 -.2135 999.9900 .9587 .3104 .1909 -.1202 .4494 .2121 .1821 11 LYS 11 -.6340 .8340 999.9900 -.0397 -.6710 -.1101 .3583 .5268 .4566 .0478 12 PRO 12 .3725 999.9900 999.9900 999.9900 -.1935 .0895 -.5013 .5200 .0944 .0494 13 PHE 13 .0900 -.4925 999.9900 999.9900 .4513 .0163 -.3295 .5586 .1886 .0556 14 ILE 14 -.0879 -2.2551 999.9900 999.9900 -1.0155 -1.1195 -.2415 .4171 .1426 -.6366 15 SER 15 1.0911 999.9900 -.0289 999.9900 -.0193 .3477 .5786 .6048 .5939 .4453 16 GLU 16 .4426 .6194 999.9900 .3501 .3899 .4505 .6488 .5699 .6028 .5035 17 LYS 17 -2.0221 1.0637 999.9900 1.1681 .5850 .3926 .1471 .2011 .1786 .3301 18 SER 18 .8760 999.9900 -.7153 999.9900 .7982 .3196 .2925 .5760 .4579 .3655 19 SER 19 .6980 999.9900 -.0289 999.9900 .3749 .3480 .6613 .6407 .6493 .4692 20 LYS 20 -3.5196 1.1488 999.9900 .4411 -.5755 -.4128 .5583 .6572 .6160 -.1212 21 SER 21 .0280 999.9900 .3727 999.9900 -.5437 -.0477 .4404 .5839 .5241 .1763 22 LEU 22 -.1596 -2.3037 999.9900 999.9900 .2713 -.7307 -.0501 .2986 .1533 -.3887 23 GLU 23 -.8365 -.5578 999.9900 .3501 .5112 -.1333 .0188 .5560 .3322 .0070 24 ILE 24 -.4154 -1.8577 999.9900 999.9900 .4912 -.5939 -.1078 .4982 .2457 -.2783 25 PRO 25 -.4724 999.9900 999.9900 999.9900 -1.0436 -.7580 .4368 .5115 .4804 -.1419 26 LEU 26 .2140 .8730 999.9900 999.9900 .4504 .5125 .6260 .6270 .6266 .5581 27 GLY 27 .7290 999.9900 999.9900 999.9900 .6270 .6780 .5777 .6685 .6281 .6505 28 PHE 28 -.0970 .8160 999.9900 999.9900 .2172 .3121 .6402 .4578 .5338 .4068 29 ASN 29 .7786 -2.3357 999.9900 999.9900 -.0278 -.5283 .3747 .6131 .5138 -.1194 30 GLU 30 .0468 1.1195 999.9900 -1.0323 .4526 .1466 .4831 .5297 .5103 .2666 31 TYR 31 -.0083 .5339 999.9900 999.9900 .7393 .4216 .3884 .4451 .4214 .4197 32 PHE 32 -.0559 .5589 999.9900 999.9900 .2172 .2401 .5283 .5503 .5411 .3598 33 PRO 33 .1313 999.9900 999.9900 999.9900 .4021 .2667 .2613 .5296 .4178 .3310 34 ALA 34 .0470 999.9900 999.9900 999.9900 .7881 .4175 -.2544 -.3171 -.2909 .0659 35 PRO 35 -.7236 999.9900 999.9900 999.9900 .4496 -.1370 .3814 .5970 .5072 .1761 36 PHE 36 -.2986 -.3506 999.9900 999.9900 -.0075 -.2189 .1018 .5624 .3705 .0015 37 PRO 37 .0120 999.9900 999.9900 999.9900 .6931 .3525 .4447 .6187 .5462 .4421 38 ILE 38 .4667 -2.2551 999.9900 999.9900 -.1449 -.6444 .0152 .4574 .2731 -.2921 39 THR 39 .3976 999.9900 .2916 999.9900 .2504 .3132 -.1220 .4099 .1883 .2455 40 VAL 40 -.3288 999.9900 .8055 999.9900 .1378 .2048 .2016 -.9461 -.4679 -.0260 41 ASP 41 -.9091 -.4551 999.9900 999.9900 -.8877 -.7506 .4462 .5067 .4815 -.2598 42 LEU 42 .1006 -1.2835 999.9900 999.9900 .4227 -.2534 .3622 .3893 .3780 -.0018 43 LEU 43 -.4738 -2.1315 999.9900 999.9900 .7949 -.6035 -.2425 .4408 .1561 -.3224 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .0375 -1.4497 .5065 .3547 .4180 -.6976 45 TYR 45 -.3077 -.4770 999.9900 999.9900 .5127 -.0906 .0249 .4161 .2531 .0338 46 SER 46 -2.4175 999.9900 -.0289 999.9900 .3088 -.7125 .4266 .6278 .5440 -.2166 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .3466 -1.5699 .5499 .7057 .6365 -.4711 48 ARG 48 -.5733 1.1781 999.9900 1.3169 .6728 .7823 .2543 .4874 .3903 .6647 49 SER 49 -.0741 999.9900 -.0289 999.9900 -.0703 -.0578 -.1051 .2543 .1045 -.0048 50 TRP 50 .1337 -1.4740 999.9900 999.9900 -.1614 -.5006 -1.2122 -.2293 -.6388 -.5886 51 THR 51 -1.0713 999.9900 .9776 999.9900 -2.0584 -.7174 -.9685 .3159 -.2193 -.5609 52 VAL 52 -.0951 999.9900 -1.0788 999.9900 .6734 -.1668 -.9826 .3062 -.2308 -.2354 53 ARG 53 -.5160 .8024 999.9900 .1593 -.0022 .1206 -.7973 .5189 -.0295 .0463 54 MET 54 -.3206 .2906 999.9900 .9587 .4206 .3373 .3459 .5973 .4925 .3821 55 LYS 55 -.4529 1.1488 999.9900 .8769 -.8987 .3102 .3466 .4131 .3854 .3301 56 LYS 56 -.2858 .2165 999.9900 -.4035 -1.0384 -.3829 -3.3745 .0265 -1.3906 -.7518 57 ARG 57 -1.3391 .8024 999.9900 .5548 .2455 .1637 -.6661 .1126 -.2119 .0378 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .2296 -.8572 -1.0893 .6100 -.1452 -.5484 59 GLU 59 -1.0162 .5971 999.9900 -1.0323 -1.8950 -.8366 .5397 .3600 .4349 -.4078 60 LYS 60 -.3414 .7597 999.9900 1.2708 .7669 .7454 .3663 -.0216 .1400 .5816 61 VAL 61 .1037 999.9900 .3968 999.9900 .2144 .2383 .5175 .5490 .5359 .3563 62 PHE 62 -.0017 .8160 999.9900 999.9900 -.5721 .0808 .4215 .5338 .4870 .2395 63 LEU 63 -.4108 -1.1684 999.9900 999.9900 -.9806 -.8533 .4777 .4846 .4817 -.3195 64 THR 64 -4.2065 999.9900 .7650 999.9900 .2504 -1.0637 .2916 .5243 .4273 -.4750 65 VAL 65 -.4485 999.9900 .5873 999.9900 -.6089 -.1567 .0449 .4945 .3071 .0139 66 GLY 66 -1.8567 999.9900 999.9900 999.9900 -.9224 -1.3896 .1642 .5768 .3934 -.5095 67 TRP 67 .9492 -.0877 999.9900 999.9900 .9378 .5998 .0187 .4638 .2784 .4564 68 GLU 68 .8733 .7809 999.9900 -1.0323 .3223 .2360 .3258 .4952 .4246 .2942 69 ASN 69 .1214 1.2520 999.9900 999.9900 .6279 .6671 .1543 .5911 .4091 .5494 70 PHE 70 .6259 .6387 999.9900 999.9900 .0736 .4460 .5074 .5749 .5468 .4841 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .1768 .0481 -.3273 .5308 .1733 .0696 72 LYS 72 .6780 1.1488 999.9900 -.4035 -.1497 .1740 .5171 .5153 .5160 .2718 73 ASP 73 .9921 -.2599 999.9900 999.9900 .0868 .2730 .4255 .5268 .4846 .3543 74 ASN 74 .3429 -.2921 999.9900 999.9900 .3587 .1365 .6284 .5486 .5818 .3173 75 ASN 75 -2.8943 .3778 999.9900 999.9900 .1585 -.7860 .1810 .1788 .1797 -.3997 76 LEU 76 -2.2364 -1.6462 999.9900 999.9900 .6258 -1.0856 -.3926 .0281 -.1472 -.7243 77 GLU 77 -1.2742 -.3402 999.9900 .3501 .0339 -.3076 .5787 .4323 .4933 -.0366 78 ASP 78 -.5899 -1.3328 999.9900 999.9900 .8104 -.3708 .2001 .6474 .4610 -.0530 79 GLY 79 -.8931 999.9900 999.9900 999.9900 -.1733 -.5332 .2127 .6026 .4293 -.0628 80 LYS 80 -.7762 -2.1617 999.9900 .5131 .4783 -.2867 -.1623 .5336 .2436 -.1517 81 TYR 81 .1961 .8463 999.9900 999.9900 .5630 .5351 -.7474 .6220 .0514 .2960 82 LEU 82 -.7369 -2.1315 999.9900 999.9900 -.6084 -1.1589 -1.4738 .3834 -.3904 -.9134 83 GLN 83 -.4918 .3754 999.9900 1.3059 1.1269 .5791 -.7541 .3019 -.1381 .3107 84 PHE 84 -.2255 -.6014 999.9900 999.9900 .6382 -.0629 -.5356 .5769 .1133 -.0295 85 ILE 85 .0718 .6227 999.9900 999.9900 .2717 .3221 -.0703 .5838 .3113 .2960 86 TYR 86 .0406 .5582 999.9900 999.9900 -.0463 .1842 -.0043 .6278 .3645 .2352 87 ASP 87 -1.3478 -1.1062 999.9900 999.9900 -.1266 -.8602 .2746 -.0579 .0806 -.4728 88 ARG 88 -.3973 -1.5080 999.9900 .1593 .4837 -.2206 .5137 .5244 .5199 -.0093 89 ASP 89 -2.1057 -.7325 999.9900 999.9900 .5431 -.7650 -2.2384 .1929 -.8201 -.8681 90 ARG 90 -1.7561 -.0184 999.9900 .9503 .4837 .1220 -.2172 .3347 .1048 .1039 91 THR 91 .1937 999.9900 -.8810 999.9900 -.3332 -.3402 .2323 .2333 .2329 -.1110 92 PHE 92 .0766 -.0015 999.9900 999.9900 -.0075 .0225 -.1886 .6551 .3035 .1068 93 TYR 93 .3730 .4149 999.9900 999.9900 .4594 .4158 .3629 .6089 .5064 .4438 94 VAL 94 .3894 999.9900 .3968 999.9900 .6025 .4629 .2269 .6721 .4866 .4575 95 ILE 95 .3543 -3.0500 999.9900 999.9900 .4089 -.7622 .1574 .5125 .3645 -.3234 96 ILE 96 .0718 -1.0451 999.9900 999.9900 .2717 -.2339 .1765 .6020 .4247 .0154 97 TYR 97 -.1387 .8492 999.9900 999.9900 -1.9776 -.4224 -.1357 .4398 .2000 -.1926 98 GLY 98 -1.4779 999.9900 999.9900 999.9900 -.8367 -1.1573 .4687 .1680 .3017 -.4195 99 HIS 99 -.0587 -.1263 999.9900 999.9900 -.6493 -.2781 .1868 .3526 .2835 -.0590 100 ASN 100 -1.3289 -.0252 999.9900 999.9900 -.0996 -.4846 .1233 .1463 .1367 -.2368 101 MET 101 -1.2959 .5321 999.9900 .9587 -.1136 .0203 -.0368 .5949 .3317 .1066 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2240 .3280 .2834 .2272 Means: -.4569 -.2507 -.0274 .5006 .0846 -.1081 .0126 .4330 .2570 .0194 2.00 refined_1