1 MET 1 999.9900 -1.7864 999.9900 .9587 -.3043 -.3773 .3448 .5886 .4778 -.0397 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .6550 -.6721 .4459 .4344 .4391 -.1160 3 ASP 3 -.9091 -1.0518 999.9900 999.9900 -1.0225 -.9945 -.1595 .1541 .0234 -.5978 4 THR 4 .1421 999.9900 .2916 999.9900 .4826 .3054 -.1387 .2899 .1113 .2135 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 .4101 -1.5381 -3.5905 .2725 -1.4444 -1.5986 6 GLU 6 -1.1689 -.3402 999.9900 -1.0323 .3899 -.5379 -.2458 .4571 .1642 -.3234 7 VAL 7 -.1853 999.9900 -.5532 999.9900 .8960 .0525 -1.5041 .4522 -.3629 -.1789 8 GLN 8 -.3746 -.4358 999.9900 3.6599 -.9446 .4762 -3.0853 .6345 -.9154 -.0910 9 PHE 9 .1414 -.2091 999.9900 999.9900 .7573 .2299 -.9117 .0811 -.3326 -.0282 10 MET 10 -.3503 -.7184 999.9900 .9587 -1.2625 -.3431 .0064 .4918 .2895 -.1457 11 LYS 11 -.2455 .7114 999.9900 -.0770 -.8987 -.1174 .4634 .5725 .5270 .0642 12 PRO 12 .3744 999.9900 999.9900 999.9900 .7944 .5844 -.0748 .6204 .3308 .4286 13 PHE 13 -.1586 -.1460 999.9900 999.9900 -.5721 -.2922 .1867 .5165 .3791 -.0347 14 ILE 14 .0718 -3.0500 999.9900 999.9900 -1.0155 -1.3313 .0317 .3970 .2448 -.7130 15 SER 15 .1589 999.9900 -.7153 999.9900 .3088 -.0825 .2586 .5285 .4160 .1079 16 GLU 16 .8733 .7809 999.9900 -1.0323 .2101 .2080 .6353 .6163 .6242 .3473 17 LYS 17 -1.4779 .9683 999.9900 -.0770 .0525 -.1222 .4238 .6968 .5830 .0728 18 SER 18 -.9964 999.9900 -.0289 999.9900 -1.9795 -1.0016 .0463 .4791 .2988 -.4959 19 SER 19 .7489 999.9900 -.7153 999.9900 .6235 .2190 .3002 .5527 .4475 .3020 20 LYS 20 -2.7709 .1550 999.9900 1.2852 -2.0338 -.4158 .6108 .6180 .6150 -.1215 21 SER 21 .2130 999.9900 -.7153 999.9900 .0290 -.1578 .5024 .4717 .4845 .1001 22 LEU 22 -.0792 .8847 999.9900 999.9900 .9565 .5873 -.2396 .3932 .1295 .3831 23 GLU 23 -.6163 .5701 999.9900 -1.0323 .3223 -.1890 -.0058 .5784 .3350 -.0306 24 ILE 24 -.2299 -.0414 999.9900 999.9900 .3195 .0161 .4324 .4530 .4444 .1867 25 PRO 25 -.4724 999.9900 999.9900 999.9900 .0500 -.2112 .4883 .4543 .4685 .1300 26 LEU 26 .8786 -1.4996 999.9900 999.9900 .4504 -.0569 .4826 .4423 .4591 .1509 27 GLY 27 .7440 999.9900 999.9900 999.9900 .6270 .6855 .6215 .6793 .6536 .6679 28 PHE 28 -.0639 .8190 999.9900 999.9900 .4513 .4021 .4391 .3667 .3969 .4024 29 ASN 29 .5887 -1.7113 999.9900 999.9900 -2.3288 -1.1505 .5587 -.5334 -.0783 -.6852 30 GLU 30 .8733 .7809 999.9900 -1.0323 .7127 .3336 .5976 .4158 .4916 .3913 31 TYR 31 .3338 .6919 999.9900 999.9900 -.1498 .2919 .3776 .3833 .3809 .3273 32 PHE 32 -1.3662 -.4187 999.9900 999.9900 -2.2412 -1.3420 .1688 -.3874 -.1557 -.8490 33 PRO 33 -1.9661 999.9900 999.9900 999.9900 .5793 -.6934 -2.9692 -.1101 -1.3014 -1.1165 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.1070 -.7752 .1910 -.1203 .0094 -.3699 35 PRO 35 .4049 999.9900 999.9900 999.9900 .0500 .2274 .3663 .4775 .4312 .3247 36 PHE 36 -1.3242 -.7766 999.9900 999.9900 .4513 -.5498 .0131 .3294 .1976 -.2614 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .7618 -.1915 -.0428 .6432 .3574 .0544 38 ILE 38 -1.6523 -.0177 999.9900 999.9900 .6034 -.3556 .5000 .6063 .5620 .0079 39 THR 39 .3976 999.9900 .0483 999.9900 .5164 .3207 .2691 .4366 .3668 .3336 40 VAL 40 -.0523 999.9900 .5873 999.9900 .7810 .4387 -.7400 -.3435 -.5087 .0465 41 ASP 41 -.9509 -.7325 999.9900 999.9900 -.3974 -.6936 .0433 .3552 .2252 -.3365 42 LEU 42 -.0792 .8730 999.9900 999.9900 .4774 .4237 -.9395 .4018 -.1571 .1467 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 .3942 -.5221 -.7380 .3474 -.1048 -.3914 44 ASP 44 -.8144 -2.8653 999.9900 999.9900 -.8877 -1.5225 .2558 .2114 .2299 -.8201 45 TYR 45 1.2244 .2884 999.9900 999.9900 .2066 .5731 .3954 .4956 .4538 .5221 46 SER 46 .0652 999.9900 .3727 999.9900 .3749 .2709 .4331 .3716 .3972 .3235 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 -.2551 -1.8708 .0851 .2426 .1726 -.8534 48 ARG 48 -.5733 1.1781 999.9900 1.0776 .2455 .6011 .4099 .5532 .4935 .5670 49 SER 49 -.2734 999.9900 .3727 999.9900 .3749 .1581 .3277 .6216 .4991 .2847 50 TRP 50 .1337 -.7344 999.9900 999.9900 .0811 -.1732 -1.2288 .2719 -.3534 -.2953 51 THR 51 .0466 999.9900 1.4642 999.9900 -.7236 .2624 -.0079 .3946 .2269 .2348 52 VAL 52 -.3637 999.9900 -1.0788 999.9900 .2853 -.3857 -1.1248 .5687 -.1369 -.3426 53 ARG 53 -.6502 .7158 999.9900 1.1817 -.1565 .4545 -.8957 -.1497 -.4605 .1753 54 MET 54 -.6588 .5321 999.9900 .9587 -.3043 .1319 .0052 .6151 .3610 .1913 55 LYS 55 -1.0774 -.2178 999.9900 -.4035 -2.6618 -.9528 -.9939 .5588 -.0882 -.7427 56 LYS 56 -.1665 .2847 999.9900 .5131 -.1497 .1990 -5.4781 -.1594 -2.3755 -.6632 57 ARG 57 -2.0927 .8024 999.9900 1.2208 .6728 .3648 -.7602 .4311 -.0652 .2136 58 GLY 58 -.4748 999.9900 999.9900 999.9900 -.6865 -.5806 -.8100 .6235 -.0136 -.3369 59 GLU 59 -.4919 .6231 999.9900 -1.0323 .5390 -.0905 .4846 .5487 .5220 .1119 60 LYS 60 -.2075 1.1488 999.9900 .8416 -.8987 .3452 -.2648 .6139 .2478 .2964 61 VAL 61 -.0346 999.9900 .9747 999.9900 .2853 .4085 -1.6878 .4144 -.4615 -.0096 62 PHE 62 -.3916 -.3506 999.9900 999.9900 -2.2412 -.9944 -1.1147 .5695 -.1323 -.7057 63 LEU 63 -1.0430 -1.4996 999.9900 999.9900 -1.0998 -1.2141 -1.0650 -.4645 -.7147 -1.0344 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -.7236 -1.9371 -.9308 -.9351 -.9333 -1.5354 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 -.6089 -.7897 -.0633 .4758 .2512 -.3914 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 -1.2432 -1.7003 .0760 .3395 .2224 -.7463 67 TRP 67 .2222 -.3018 999.9900 999.9900 -.1614 -.0803 .2119 .3314 .2816 .0605 68 GLU 68 .8604 -.3402 999.9900 -1.0323 1.0761 .1410 .3294 .4144 .3790 .2180 69 ASN 69 .9310 1.2520 999.9900 999.9900 .8079 .9970 -.2962 .4714 .1515 .6332 70 PHE 70 .6259 -.4798 999.9900 999.9900 -.4285 -.0941 .2925 .5176 .4238 .1055 71 VAL 71 1.0462 999.9900 -.5532 999.9900 .5258 .3396 .0854 .5946 .3824 .3398 72 LYS 72 .6780 .2165 999.9900 -.0770 .1791 .1839 .5900 .6005 .5961 .3014 73 ASP 73 1.3227 -.8657 999.9900 999.9900 .5733 .3435 -.2350 .6180 .2625 .2827 74 ASN 74 .0188 .1235 999.9900 999.9900 -.1777 -.0118 .2547 .2966 .2791 .1032 75 ASN 75 -1.8173 .2165 999.9900 999.9900 -1.0852 -.8953 .0583 .4010 .2582 -.4453 76 LEU 76 .0762 .8730 999.9900 999.9900 .0933 .3475 -.4861 .6266 .1630 .2366 77 GLU 77 -2.1524 -.3402 999.9900 -1.0323 .0814 -.8609 -.1146 .4232 .1991 -.5225 78 ASP 78 -.6028 -.9304 999.9900 999.9900 .2216 -.4372 .2556 .5316 .4166 -.1049 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.5578 -.9302 .2327 .4328 .3439 -.2987 80 LYS 80 -.5681 1.1488 999.9900 .8261 -1.0384 .2389 .0798 .4877 .3177 .2517 81 TYR 81 .3981 .8258 999.9900 999.9900 .1301 .4513 -.4489 .6041 .1653 .3018 82 LEU 82 -.1897 .8730 999.9900 999.9900 .1315 .2716 -1.1869 .5234 -.1892 .0302 83 GLN 83 -.4918 .3754 999.9900 1.3059 -1.2230 -.0084 -1.4779 .0129 -.6083 -.2498 84 PHE 84 -.2986 -2.3327 999.9900 999.9900 -.0075 -.8796 -.0648 .5038 .2669 -.4400 85 ILE 85 .1597 -.4959 999.9900 999.9900 .7362 .1333 .1198 .3472 .2524 .1734 86 TYR 86 .3730 .7421 999.9900 999.9900 .2066 .4405 .6928 .3789 .5097 .4786 87 ASP 87 -.1859 -1.2961 999.9900 999.9900 -1.8780 -1.1200 .2926 .4073 .3595 -.5320 88 ARG 88 -2.9267 -2.8571 999.9900 .7862 .7064 -.7010 -.6948 -1.0151 -.8816 -.7450 89 ASP 89 -3.3417 -1.7105 999.9900 999.9900 -1.1781 -2.0768 -2.5666 -1.0261 -1.6679 -1.9646 90 ARG 90 -2.9267 -2.0954 999.9900 .1593 -1.3564 -1.2120 -.1389 -2.1391 -1.3057 -1.1911 91 THR 91 .2184 999.9900 1.0667 999.9900 -1.6680 -.1276 -.4637 .1245 -.1206 -.1444 92 PHE 92 -.0168 -1.6624 999.9900 999.9900 .6382 -.3470 -1.0654 .0033 -.4420 -.4206 93 TYR 93 -.0287 -.0856 999.9900 999.9900 .5630 .1496 .2617 .6127 .4665 .2646 94 VAL 94 .2313 999.9900 -.2457 999.9900 -.8010 -.2718 .3799 .5928 .5041 .0315 95 ILE 95 .3059 -3.0500 999.9900 999.9900 -1.0155 -1.2532 -.0338 .0979 .0430 -.7391 96 ILE 96 .0813 -3.0500 999.9900 999.9900 -2.8566 -1.9418 .0758 .6567 .4147 -1.0186 97 TYR 97 -.6832 .8463 999.9900 999.9900 -.2672 -.0347 -.0647 .3495 .1769 .0361 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .0351 -1.3182 .0120 .6929 .3903 -.4829 99 HIS 99 .2028 -.5551 999.9900 999.9900 .3381 -.0047 .1833 .5595 .4027 .1457 100 ASN 100 -.2518 1.2520 999.9900 999.9900 .9106 .6369 -.1721 .4885 .2133 .4455 101 MET 101 .8064 .8373 999.9900 .9587 .0476 .6625 .3068 .5012 .4202 .5763 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2843 -.0456 .0958 .1228 Means: -.4854 -.2971 -.0385 .4125 -.1923 -.2229 -.2344 .3257 .0913 -.1198 2.00 refined_13