1 MET 1 999.9900 .5321 999.9900 .9587 .7725 .7544 .4865 .6644 .5835 .6828 2 ALA 2 -1.2898 999.9900 999.9900 999.9900 .8416 -.2241 .3642 .4167 .3948 .0832 3 ASP 3 -.2149 -.5059 999.9900 999.9900 .5733 -.0492 .1662 .5901 .4135 .1217 4 THR 4 -1.3548 999.9900 1.0667 999.9900 -.7236 -.3373 -.5473 .3932 .0013 -.2332 5 GLY 5 -.2090 999.9900 999.9900 999.9900 .8897 .3403 .2021 .5734 .4084 .3640 6 GLU 6 -3.2255 .8225 999.9900 -1.0323 -.1261 -.8904 .5176 .3062 .3943 -.4563 7 VAL 7 .0815 999.9900 .1416 999.9900 .5258 .2496 .1795 .5883 .4180 .3034 8 GLN 8 -.2217 -.5355 999.9900 1.3059 -.5521 -.0009 -.3885 .3467 .0403 -.0076 9 PHE 9 .1414 .8308 999.9900 999.9900 .7573 .5765 .0068 .4626 .2727 .4398 10 MET 10 -.1025 .5321 999.9900 .9587 1.2917 .6700 .5190 .6259 .5813 .6375 11 LYS 11 -.3223 .7114 999.9900 -.4035 -.4103 -.1657 .4311 .4166 .4226 .0028 12 PRO 12 .4049 999.9900 999.9900 999.9900 .4496 .4273 .1688 .6399 .4436 .4158 13 PHE 13 -.2986 .7639 999.9900 999.9900 .2172 .2275 .4334 .4125 .4212 .3057 14 ILE 14 .0187 .6227 999.9900 999.9900 -2.8566 -.7384 .5397 .4765 .5029 -.2398 15 SER 15 .6370 999.9900 -.7153 999.9900 .5215 .1477 .4347 .4486 .4428 .2653 16 GLU 16 1.0761 .7809 999.9900 1.1588 .0339 .7624 .5528 .5891 .5740 .6986 17 LYS 17 -1.1367 .5334 999.9900 .1731 .6805 .0847 .5293 .2714 .3789 .1749 18 SER 18 -.5255 999.9900 .8786 999.9900 -.6377 -.0948 .2712 .6619 .4991 .1297 19 SER 19 .8651 999.9900 1.0592 999.9900 -.2435 .5603 .4837 .5306 .5111 .5390 20 LYS 20 -2.0221 .1550 999.9900 .8261 -1.4057 -.3241 .6058 .6133 .6102 -.0574 21 SER 21 -.4229 999.9900 -.0289 999.9900 -.0703 -.1740 .3363 .5408 .4556 .0710 22 LEU 22 -.0766 .8847 999.9900 999.9900 .0933 .3005 -.3186 .3097 .0479 .1785 23 GLU 23 -.6163 1.0525 999.9900 -1.0323 -.9305 -.3817 -1.4157 .5064 -.2945 -.4060 24 ILE 24 -.0022 .6227 999.9900 999.9900 -2.8566 -.7454 -.1154 .0695 -.0076 -.4564 25 PRO 25 -.2296 999.9900 999.9900 999.9900 .8563 .3133 .5999 .2144 .3751 .3603 26 LEU 26 1.1349 -1.4036 999.9900 999.9900 .7139 .1484 .1693 .2562 .2200 .1741 27 GLY 27 .9829 999.9900 999.9900 999.9900 .0351 .5090 .6000 .6694 .6385 .5718 28 PHE 28 .8041 .7639 999.9900 999.9900 -1.2178 .1167 .6057 .2750 .4128 .2462 29 ASN 29 1.3908 -1.5725 999.9900 999.9900 .4442 .0875 .4933 .6279 .5718 .2767 30 GLU 30 .4426 .7809 999.9900 -1.0323 .4526 .1609 .3118 .4758 .4075 .2386 31 TYR 31 -.0710 -.3789 999.9900 999.9900 .2066 -.0811 -.1220 .2593 .1004 -.0212 32 PHE 32 -3.6149 -.1460 999.9900 999.9900 -2.2412 -2.0007 -.0378 .0753 .0282 -1.1929 33 PRO 33 -1.0936 999.9900 999.9900 999.9900 .6931 -.2003 -2.0125 .2218 -.7092 -.5478 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.2174 -.8303 .2935 .1526 .2113 -.3037 35 PRO 35 .3725 999.9900 999.9900 999.9900 -1.6867 -.6571 .0108 .3092 .1849 -.2486 36 PHE 36 -.5560 -.2091 999.9900 999.9900 .2172 -.1827 -.3804 .3644 .0541 -.1128 37 PRO 37 .4011 999.9900 999.9900 999.9900 .5793 .4902 .5330 .6022 .5734 .5289 38 ILE 38 1.0067 -.0177 999.9900 999.9900 .1133 .3674 .4441 .5670 .5158 .4227 39 THR 39 .3976 999.9900 -.8810 999.9900 .2932 -.0634 -.0367 .5814 .3238 .0709 40 VAL 40 -.0582 999.9900 .8662 999.9900 .6503 .4861 -.0300 .2826 .1524 .3422 41 ASP 41 -.4836 -.5192 999.9900 999.9900 -1.8780 -.9602 -.1098 .5340 .2657 -.4913 42 LEU 42 -.0536 .5402 999.9900 999.9900 .9565 .4810 -1.3318 .2337 -.4186 .0690 43 LEU 43 -.3896 -1.8410 999.9900 999.9900 -.2790 -.8365 -1.2001 .4601 -.2317 -.6499 44 ASP 44 -1.0941 -1.1646 999.9900 999.9900 .8104 -.4828 -.0767 .0188 -.0210 -.3012 45 TYR 45 -.2255 -.7306 999.9900 999.9900 -1.0119 -.6560 .3963 .3456 .3667 -.2452 46 SER 46 -3.2405 999.9900 -.7153 999.9900 -.1244 -1.3601 -.0690 .1907 .0825 -.7917 47 GLY 47 -.6631 999.9900 999.9900 999.9900 .7039 .0204 .4449 .5609 .5094 .2617 48 ARG 48 -.4155 -1.0274 999.9900 .1593 .7064 -.0836 .2937 .0408 .1462 -.0119 49 SER 49 -.5771 999.9900 .3727 999.9900 .8922 .2292 .0412 .0151 .0259 .1488 50 TRP 50 -.0034 -.8273 999.9900 999.9900 -.4740 -.4349 .5591 .6051 .5860 -.0281 51 THR 51 -.5830 999.9900 .2916 999.9900 -1.3910 -.5608 .3344 .5153 .4399 -.1665 52 VAL 52 -.0145 999.9900 -.0276 999.9900 .3827 .1136 .4269 .4899 .4637 .2515 53 ARG 53 -.5383 1.0644 999.9900 .1593 .3956 .2481 .2314 .4445 .3557 .2737 54 MET 54 -.2651 .5321 999.9900 .9587 .5203 .4365 .3759 .5460 .4751 .4446 55 LYS 55 -.4160 .8596 999.9900 .2495 -.3378 .1210 .3562 .4527 .4125 .2020 56 LYS 56 -.3414 .4083 999.9900 .2495 -1.6664 -.2201 -2.7612 .3799 -.9289 -.4974 57 ARG 57 -1.5415 -2.8571 999.9900 .1593 .5640 -.7032 -.7379 .1145 -.2407 -.5914 58 GLY 58 -1.3851 999.9900 999.9900 999.9900 -.3938 -.8894 -.3247 .6582 .2213 -.3613 59 GLU 59 -.4919 -.7859 999.9900 -1.0323 .7127 -.3994 .1887 .6130 .4362 -.1326 60 LYS 60 -.6439 .1550 999.9900 -.4035 .7669 -.1058 -.8994 .6047 -.0220 -.1177 61 VAL 61 -.0145 999.9900 .5873 999.9900 .0545 .2091 -.3081 .5863 .2136 .1811 62 PHE 62 -.0017 .8160 999.9900 999.9900 -.3041 .1701 -1.3331 .5317 -.2453 -.0582 63 LEU 63 -.7582 .3261 999.9900 999.9900 -3.2047 -1.2123 -.8324 .0602 -.3117 -.8818 64 THR 64 -3.2663 999.9900 .6346 999.9900 -1.3910 -1.3409 .2200 -.0911 .0385 -.7788 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -2.2406 -1.5088 .1002 .3142 .2250 -.8224 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -2.3699 -1.9769 .0689 -.1055 -.0280 -.9976 67 TRP 67 .2222 -2.6463 999.9900 999.9900 .4467 -.6591 .2583 .1198 .1775 -.3198 68 GLU 68 .6116 -2.8418 999.9900 .3501 .3568 -.3808 -.0485 -.9861 -.5954 -.4263 69 ASN 69 1.1678 -1.3461 999.9900 999.9900 .4840 .1019 .1111 .4571 .3130 .1748 70 PHE 70 -.0803 -.6308 999.9900 999.9900 .4513 -.0866 .2542 .5996 .4557 .1188 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 -.8010 -.2779 .3954 -.1922 .0526 -.1261 72 LYS 72 .8536 -.0529 999.9900 .6506 -.6710 .2862 .3614 -.2365 .0126 .2222 73 ASP 73 .2706 -.2599 999.9900 999.9900 .4469 .1525 -.1300 .4250 .1938 .1505 74 ASN 74 -.6931 .1235 999.9900 999.9900 .5588 -.0036 .4930 .0580 .2393 .1081 75 ASN 75 -3.4329 -.4258 999.9900 999.9900 .3127 -1.1820 .3564 -.0362 .1274 -.6452 76 LEU 76 -1.5272 -2.5464 999.9900 999.9900 .9565 -1.0390 -.3413 .4136 .0990 -.6090 77 GLU 77 -2.1524 -.3402 999.9900 -1.0323 .0339 -.8728 .3982 .2452 .3090 -.4746 78 ASP 78 -1.0430 -1.0518 999.9900 999.9900 -.3226 -.8058 -.2225 .4313 .1588 -.4417 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 -2.0052 -2.0813 -.1887 -.2408 -.2177 -1.1481 80 LYS 80 -.3038 1.1488 999.9900 .5131 -.2707 .3201 .0273 .3537 .2177 .2831 81 TYR 81 .0868 .8258 999.9900 999.9900 -.7591 .0512 .1638 .5081 .3647 .1651 82 LEU 82 .0291 .5280 999.9900 999.9900 -1.0998 -.1809 -.1628 .5354 .2444 -.0340 83 GLN 83 -.1966 .6315 999.9900 1.3059 .1963 .4843 -.8228 .3443 -.1420 .2431 84 PHE 84 -.2255 .1033 999.9900 999.9900 -.3041 -.1421 -.6305 .5946 .0841 -.0924 85 ILE 85 -.3198 .2838 999.9900 999.9900 -2.8566 -.9642 -.3490 .3149 .0383 -.5853 86 TYR 86 .4403 .7834 999.9900 999.9900 -1.9776 -.2513 -.3077 .4156 .1142 -.1292 87 ASP 87 -1.2415 -.9083 999.9900 999.9900 .3772 -.5908 .0714 -.4084 -.2085 -.4219 88 ARG 88 -2.9267 -2.3766 999.9900 .1593 -.3418 -1.0653 .1627 .3177 .2531 -.6923 89 ASP 89 -3.3417 -.4551 999.9900 999.9900 -.2530 -1.3499 -2.2750 -.2743 -1.1079 -1.3198 90 ARG 90 -1.6758 .8164 999.9900 .5548 -1.3564 -.2212 .3546 -.2460 .0042 -.1425 91 THR 91 .3363 999.9900 .6346 999.9900 -.3332 .2126 .4102 .4176 .4145 .2931 92 PHE 92 .0900 .1608 999.9900 999.9900 -.3041 -.0178 -.0139 .4182 .2382 .0702 93 TYR 93 -.2386 .8258 999.9900 999.9900 -.5629 .0081 -.1510 .4828 .2187 .0712 94 VAL 94 -.9687 999.9900 .1416 999.9900 -.1376 -.3215 -.2980 .6070 .2299 -.1311 95 ILE 95 -.7007 -1.0451 999.9900 999.9900 .9338 -.2707 -.4845 .4125 .0388 -.1768 96 ILE 96 -.6670 -.1544 999.9900 999.9900 -.5989 -.4735 -.9517 .6691 -.0063 -.3406 97 TYR 97 -.8310 .2264 999.9900 999.9900 .3421 -.0875 -1.0133 .3649 -.2093 -.1822 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7039 -1.3912 -.9082 .3346 -.2178 -.8390 99 HIS 99 -3.0884 -.0777 999.9900 999.9900 -.1902 -1.1188 -.1452 .4179 .1833 -.6167 100 ASN 100 -3.4329 .2165 999.9900 999.9900 -2.3288 -1.8484 .2632 .3066 .2885 -.9951 101 MET 101 -2.6662 .5321 999.9900 .9587 .4206 -.1887 .0407 .1941 .1302 -.0867 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .1774 .3408 .2708 .2159 Means: -.6039 -.1360 .1199 .2279 -.2409 -.2529 -.0525 .3424 .1771 -.0999 2.00 refined_19