1 MET 1 999.9900 .5321 999.9900 .9587 .4206 .6371 .5560 .6832 .6254 .6301 2 ALA 2 -.7637 999.9900 999.9900 999.9900 .3365 -.2136 .3613 .6772 .5456 .1528 3 ASP 3 -.3017 -.2599 999.9900 999.9900 .6310 .0231 .3042 .6253 .4915 .1998 4 THR 4 .3776 999.9900 -.8810 999.9900 .4476 -.0186 .2585 .5457 .4261 .1497 5 GLY 5 -2.2927 999.9900 999.9900 999.9900 .8277 -.7325 -3.9665 .1448 -1.6825 -1.3217 6 GLU 6 -1.3222 .6046 999.9900 -1.0323 .3223 -.3569 -.6852 .4993 .0058 -.2689 7 VAL 7 .0815 999.9900 -.0276 999.9900 .7810 .2783 -.9761 .5089 -.1098 .0736 8 GLN 8 -.3746 -.4838 999.9900 1.3059 .6605 .2770 -.8701 .5653 -.0328 .1339 9 PHE 9 -.0559 -1.2232 999.9900 999.9900 .5495 -.2432 .2857 .4586 .3865 .0029 10 MET 10 -.3503 -.2135 999.9900 .9587 -.8385 -.1109 .4637 .6442 .5690 .1107 11 LYS 11 -.3099 -.8217 999.9900 .3240 -2.6618 -.6291 .5513 .5476 .5491 -.2924 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .0500 -.3368 -.9617 .2503 -.2547 -.3463 13 PHE 13 .0900 .1164 999.9900 999.9900 .7193 .3086 .0425 .5797 .3559 .3096 14 ILE 14 .2768 .6227 999.9900 999.9900 -1.0155 -.0387 .4197 .4565 .4412 .1520 15 SER 15 .8349 999.9900 -.7153 999.9900 .7151 .2782 .3372 .6002 .4906 .3544 16 GLU 16 .7157 .6046 999.9900 -1.0323 -.6780 -.0975 .4213 .6200 .5372 .1086 17 LYS 17 -.8267 .7114 999.9900 .3240 -1.4057 -.1746 .2561 .6083 .4615 -.0012 18 SER 18 -.1309 999.9900 -.7153 999.9900 -1.1621 -.6694 .2079 .3469 .2890 -.2907 19 SER 19 .6980 999.9900 1.0592 999.9900 .5215 .7595 .6739 .2576 .4310 .6420 20 LYS 20 -3.5196 .1550 999.9900 1.1993 -.4892 -.2910 .5177 .5462 .5343 -.0559 21 SER 21 -.0420 999.9900 .6576 999.9900 .8922 .5026 .5595 .5572 .5581 .5249 22 LEU 22 -.3571 -1.4036 999.9900 999.9900 -.2242 -.6617 .2116 .1835 .1952 -.3180 23 GLU 23 -.6642 -.6022 999.9900 -1.0323 -1.2865 -.8963 .2893 .3043 .2980 -.4986 24 ILE 24 .2768 -3.0500 999.9900 999.9900 -.1449 -.9727 -.2571 .0662 -.0685 -.6218 25 PRO 25 .3725 999.9900 999.9900 999.9900 -1.3105 -.4690 .3734 .3895 .3828 -.0438 26 LEU 26 .8182 .5315 999.9900 999.9900 .3346 .5615 .6413 .4377 .5225 .5527 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .2174 .6478 .4565 .5323 28 PHE 28 -.7647 .5902 999.9900 999.9900 .5949 .1401 .2206 .4609 .3607 .2204 29 ASN 29 1.0488 -.5828 999.9900 999.9900 -.0996 .1221 .3580 -.0451 .1229 .1358 30 GLU 30 .6116 .6046 999.9900 .3501 -.5746 .2479 .2376 .0824 .1471 .2186 31 TYR 31 .3338 .7834 999.9900 999.9900 .6556 .5909 .2654 -.0666 .0717 .3943 32 PHE 32 -.7450 .0697 999.9900 999.9900 -2.2412 -.9722 .1227 -.0956 -.0046 -.5779 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -2.3298 -1.5267 -2.2376 .1936 -.8194 -1.2744 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -.1129 -.2532 .3748 .5541 .4794 .1056 35 PRO 35 .4011 999.9900 999.9900 999.9900 -1.3105 -.4547 .3729 .2496 .3010 -.0717 36 PHE 36 -1.3242 .7639 999.9900 999.9900 .7193 .0530 .6320 .6234 .6270 .2829 37 PRO 37 -2.4417 999.9900 999.9900 999.9900 -.5244 -1.4831 -.8436 .6322 .0173 -.7944 38 ILE 38 -1.5441 -.0177 999.9900 999.9900 .5300 -.3440 .2228 .4730 .3688 -.0672 39 THR 39 .3976 999.9900 -.8810 999.9900 .6695 .0620 -.1118 .6220 .3162 .1393 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 -1.8525 -1.1074 .1196 -.5003 -.2420 -.7406 41 ASP 41 -.9509 -.7325 999.9900 999.9900 .5431 -.3801 .4882 .4583 .4708 -.0387 42 LEU 42 .1006 -2.1315 999.9900 999.9900 .5787 -.4841 -.7256 -.2876 -.4701 -.4931 43 LEU 43 .0762 -1.5832 999.9900 999.9900 .6708 -.2787 -.2593 .5082 .1884 -.1175 44 ASP 44 -.8144 -3.7306 999.9900 999.9900 .1786 -1.4555 .4015 .3537 .3736 -.7222 45 TYR 45 .2568 -.4770 999.9900 999.9900 -1.0119 -.4107 .4493 -.0186 .1764 -.1603 46 SER 46 -.3100 999.9900 .3727 999.9900 .6705 .2444 .5186 .6400 .5894 .3784 47 GLY 47 .4052 999.9900 999.9900 999.9900 .5943 .4997 .2172 .7003 .4856 .4792 48 ARG 48 -.6502 .1897 999.9900 .1593 .4837 .0683 .1903 .6016 .4302 .1620 49 SER 49 -.2454 999.9900 -.0289 999.9900 .5215 .0824 .0103 .4355 .2583 .1386 50 TRP 50 .0682 -.2441 999.9900 999.9900 .4467 .0903 -.3138 .5741 .2042 .1062 51 THR 51 .4171 999.9900 .6346 999.9900 .6112 .5543 -.0805 .6000 .3165 .4365 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .5258 -.2037 -.2944 .5576 .2026 -.0696 53 ARG 53 -.5383 1.1781 999.9900 .9503 -2.3710 .0339 .0988 .3580 .2500 .0895 54 MET 54 -.8637 .5321 999.9900 .9587 .7725 .3499 .4432 .3665 .3985 .3682 55 LYS 55 -.1665 -2.1617 999.9900 -.0397 .6340 -.3547 .4024 .3400 .3660 -.1473 56 LYS 56 -.1867 .7568 999.9900 -.0770 -.2082 .0416 -2.1571 .4972 -.6087 -.2074 57 ARG 57 -1.5415 -.0184 999.9900 .6901 -.2445 -.0849 .0135 .3730 .2232 -.0054 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 -1.5458 -1.2804 .4487 .6171 .5422 -.3738 59 GLU 59 -.4382 -.4584 999.9900 1.1588 -1.2865 -.2561 .3548 .2305 .2823 -.0732 60 LYS 60 -.2455 .8596 999.9900 .9443 -1.4057 .2194 .3589 .5098 .4469 .2808 61 VAL 61 .4158 999.9900 .8055 999.9900 .1378 .4530 -1.0896 .3151 -.2702 .1169 62 PHE 62 -.0017 -.1460 999.9900 999.9900 -.4285 -.1921 -1.1833 .2001 -.3763 -.3119 63 LEU 63 -.0411 -.2519 999.9900 999.9900 -1.0998 -.4643 .0112 .4057 .2413 -.1952 64 THR 64 -3.6133 999.9900 -.8810 999.9900 -1.0006 -1.8317 -.0028 .3600 .2089 -1.0275 65 VAL 65 -1.2071 999.9900 .5873 999.9900 -2.9040 -1.1746 .0990 .4987 .3321 -.5852 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.0172 -1.3006 -.7522 .0694 -.2958 -.8210 67 TRP 67 .9492 .0052 999.9900 999.9900 .4467 .4670 .1321 .4320 .3071 .3930 68 GLU 68 .4426 -2.8418 999.9900 .3501 -1.0906 -.7849 .1228 -.7540 -.3887 -.6285 69 ASN 69 1.1272 -.4258 999.9900 999.9900 -1.0852 -.1279 -.3651 .0423 -.1275 -.1413 70 PHE 70 .6259 .7639 999.9900 999.9900 -.3041 .3619 .3048 .4769 .4052 .3735 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .8960 .2878 .2095 .5403 .4025 .3227 72 LYS 72 .8536 .2165 999.9900 1.5258 -1.4057 .5432 .3293 .2899 .3064 .4765 73 ASP 73 .9921 -1.1062 999.9900 999.9900 .5121 .1327 .3991 .4701 .4406 .2535 74 ASN 74 .3369 -.8859 999.9900 999.9900 .1585 -.1302 .5513 .5545 .5532 .1431 75 ASN 75 -1.8173 .3778 999.9900 999.9900 .5588 -.2936 -.5983 -.1952 -.3631 -.3348 76 LEU 76 -.4108 .8730 999.9900 999.9900 .4227 .2950 -1.2222 .6342 -.1393 .0594 77 GLU 77 -1.1136 .6231 999.9900 1.1588 .1264 .1987 -.3824 .2727 -.0002 .1142 78 ASP 78 -.4515 -3.1847 999.9900 999.9900 .2216 -1.1382 .1692 .2766 .2319 -.5937 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 -1.1231 -2.0477 .1381 .4067 .2873 -.8876 80 LYS 80 -.7069 1.1776 999.9900 -.4035 -.4892 -.1651 .3657 .3994 .3853 -.0086 81 TYR 81 .3271 .3309 999.9900 999.9900 .3421 .3334 -.0644 .5322 .2836 .2936 82 LEU 82 -.7369 -2.9612 999.9900 999.9900 .7348 -.9878 .0387 .2311 .1509 -.5387 83 GLN 83 -.3535 .6816 999.9900 1.3059 .3348 .4922 .1269 .4906 .3390 .4310 84 PHE 84 -.0803 .8160 999.9900 999.9900 -1.5955 -.2866 -.5018 .4893 .0764 -.1744 85 ILE 85 -.2299 -3.0500 999.9900 999.9900 .7362 -.8479 -.5193 .2911 -.0466 -.5544 86 TYR 86 -.0287 .7834 999.9900 999.9900 -1.0119 -.0857 -.0947 .2918 .1308 -.0120 87 ASP 87 -1.4736 -.4801 999.9900 999.9900 .5431 -.4702 .5478 .3549 .4353 -.1016 88 ARG 88 -2.9267 -.5225 999.9900 .7862 .9385 -.1877 -.2536 .2014 .0118 -.1415 89 ASP 89 -2.1057 -1.4116 999.9900 999.9900 .2216 -1.0985 -2.0446 .1571 -.7603 -1.0366 90 ARG 90 -1.2223 1.0644 999.9900 .1593 .4407 .1203 .3733 .5773 .4923 .2217 91 THR 91 .2184 999.9900 .2916 999.9900 -1.1761 -.2221 .1016 .6210 .4046 .0113 92 PHE 92 -.2457 .3498 999.9900 999.9900 -.7419 -.2126 -1.0152 .1652 -.3267 -.2976 93 TYR 93 -.1387 .2322 999.9900 999.9900 -1.0119 -.3061 .0674 .3372 .2248 -.1028 94 VAL 94 -.0288 999.9900 -1.0788 999.9900 .5776 -.1766 .2015 .6796 .4804 .0702 95 ILE 95 .3543 -.0177 999.9900 999.9900 -.1449 .0639 .2396 .6522 .4803 .2167 96 ILE 96 -.6670 -2.2551 999.9900 999.9900 -.3927 -1.1049 -.0408 .4896 .2686 -.5732 97 TYR 97 -.1387 .0164 999.9900 999.9900 .7784 .2187 -.1437 .5753 .2757 .2175 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 .3016 -1.0783 -.2590 .3762 .0939 -.5099 99 HIS 99 -3.0884 .1349 999.9900 999.9900 .5967 -.7856 -.7854 -.6826 -.7254 -.7650 100 ASN 100 -.4252 -1.5725 999.9900 999.9900 .8607 -.3790 .1150 .6459 .4247 -.0752 101 MET 101 -2.2339 -2.5481 999.9900 .9587 .7725 -.7627 .0016 .5704 .3334 -.4131 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2908 .3417 .3199 .2541 Means: -.4407 -.3653 -.2056 .4988 -.1515 -.2104 -.0517 .3756 .1968 -.0685 2.00 refined_5