1 MET 1 999.9900 .5321 999.9900 .9587 -.1136 .4591 -.1164 .6485 .3008 .3819 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 -.1879 -1.1413 -.2096 .4364 .1672 -.5139 3 ASP 3 -1.0941 -1.3328 999.9900 999.9900 -1.0225 -1.1498 -.5085 .6887 .1898 -.6538 4 THR 4 -3.2663 999.9900 .4804 999.9900 -.3332 -1.0397 -.2631 .4728 .1662 -.5819 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 .2296 -1.6284 -5.4650 .4626 -2.1719 -2.0648 6 GLU 6 -2.3953 .6653 999.9900 -1.0323 -1.2865 -1.0122 -.4856 .4317 .0495 -.6838 7 VAL 7 .4158 999.9900 -1.0788 999.9900 -1.1891 -.6173 -.9115 .2161 -.2537 -.5095 8 GLN 8 -.4190 -.4838 999.9900 1.3059 .3348 .1845 -.5883 .5146 .0551 .1107 9 PHE 9 .1414 .8308 999.9900 999.9900 .5949 .5224 .0969 .5138 .3401 .4356 10 MET 10 -.2651 -.2135 999.9900 .9587 -.8385 -.0896 .2290 .4808 .3759 .0586 11 LYS 11 -.6145 -2.9005 999.9900 1.1993 .2547 -.1723 .1314 .1969 .1696 -.0762 12 PRO 12 .4011 999.9900 999.9900 999.9900 .2426 .3219 -.3131 .3422 .0691 .1682 13 PHE 13 -.1866 -.6308 999.9900 999.9900 -.0075 -.2749 .4761 -.0261 .1831 -.0750 14 ILE 14 -.1796 -.0177 999.9900 999.9900 -1.0155 -.4043 .2405 .3182 .2858 -.1308 15 SER 15 .8349 999.9900 -.0289 999.9900 -.4586 .1158 .4629 .5918 .5381 .2804 16 GLU 16 1.0761 .8332 999.9900 -1.0323 .4218 .3247 .5670 .4695 .5101 .3892 17 LYS 17 -1.4779 1.0637 999.9900 .1140 -2.6618 -.5696 -.4443 -.2404 -.3253 -.5047 18 SER 18 -.1309 999.9900 -.7153 999.9900 -1.9795 -.9419 .1400 .3049 .2362 -.4762 19 SER 19 1.0911 999.9900 1.0592 999.9900 .5991 .9165 .2854 .3799 .3405 .6829 20 LYS 20 -2.1024 1.2989 999.9900 -.0397 .7460 -.0274 .4589 .2356 .3286 .0796 21 SER 21 .0135 999.9900 -.7153 999.9900 .6705 -.0104 -.4275 .5387 .1361 .0160 22 LEU 22 -.0766 -1.4036 999.9900 999.9900 .4774 -.3343 .1558 .3257 .2549 -.1043 23 GLU 23 -.5578 -.6022 999.9900 .3501 -.1261 -.2340 .2755 .6079 .4694 -.0088 24 ILE 24 .0813 -.0177 999.9900 999.9900 .4912 .1849 .5696 .4008 .4711 .3050 25 PRO 25 .6201 999.9900 999.9900 999.9900 .4021 .5111 .5857 .4543 .5091 .5155 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .2381 -.0956 .3378 .2917 .3109 .0685 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7185 .7312 .6098 .5392 .5706 .6529 28 PHE 28 -.5116 -.0090 999.9900 999.9900 -.0075 -.1760 .6206 .5187 .5612 .1223 29 ASN 29 1.0488 .3924 999.9900 999.9900 -.1777 .4212 .5771 .1747 .3423 .4031 30 GLU 30 .4426 .6046 999.9900 -1.0323 .2101 .0563 .4670 .4372 .4496 .1882 31 TYR 31 .3338 .4960 999.9900 999.9900 .3421 .3906 .4258 .5288 .4859 .4253 32 PHE 32 -3.6149 -.0709 999.9900 999.9900 -2.2412 -1.9756 -.1086 .1888 .0649 -1.1693 33 PRO 33 -.2605 999.9900 999.9900 999.9900 -1.6867 -.9736 -1.7241 .1970 -.6035 -.8686 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.1070 -.7503 .2039 .5287 .3934 -.1920 35 PRO 35 .1514 999.9900 999.9900 999.9900 -2.3298 -1.0892 .2229 .4585 .3603 -.3743 36 PHE 36 -1.3242 -.6308 999.9900 999.9900 .2815 -.5578 .5907 .3239 .4351 -.1518 37 PRO 37 -2.4417 999.9900 999.9900 999.9900 .1187 -1.1615 .1777 .6949 .4794 -.3626 38 ILE 38 -2.9731 -.0414 999.9900 999.9900 .8537 -.7203 .2240 .4093 .3321 -.3055 39 THR 39 .2564 999.9900 -.8810 999.9900 .7246 .0333 .0024 .4401 .2577 .1085 40 VAL 40 -.0582 999.9900 .4980 999.9900 -.2503 .0632 .0139 -.1055 -.0558 .0196 41 ASP 41 -.8144 -1.5469 999.9900 999.9900 -.4783 -.9465 .2796 .5416 .4325 -.4037 42 LEU 42 -.0536 -2.1315 999.9900 999.9900 -.2242 -.8031 -1.4327 -.2003 -.7138 -.8085 43 LEU 43 .0762 -1.8410 999.9900 999.9900 -.0758 -.6135 -1.1768 .5638 -.1614 -.4907 44 ASP 44 -.6569 -1.4542 999.9900 999.9900 .6026 -.5029 -.2192 .4654 .1802 -.2525 45 TYR 45 .0017 -2.0063 999.9900 999.9900 .6556 -.4497 .6031 .1508 .3392 -.1190 46 SER 46 .4640 999.9900 .3727 999.9900 .3425 .3931 .3321 .6083 .4932 .4239 47 GLY 47 .4052 999.9900 999.9900 999.9900 .2782 .3417 .1088 .6890 .4311 .3703 48 ARG 48 -.4155 .7158 999.9900 .7862 .5247 .4795 .4002 .3896 .3940 .4553 49 SER 49 .2423 999.9900 1.0592 999.9900 .5215 .6076 .1455 .6091 .4159 .5155 50 TRP 50 .0682 -1.3095 999.9900 999.9900 -.1614 -.4676 .1756 .5989 .4225 -.1256 51 THR 51 .1937 999.9900 .2916 999.9900 .7246 .4033 .1299 .6447 .4302 .3969 52 VAL 52 -.3637 999.9900 .1416 999.9900 .1378 -.0281 -1.1759 .4094 -.2511 -.1702 53 ARG 53 -.5160 .8024 999.9900 .5548 -.5739 .1644 -.7541 .4478 -.0530 .0737 54 MET 54 -.3206 -1.5870 999.9900 .9587 -.8385 -.4468 -.1012 -.0142 -.0505 -.3171 55 LYS 55 -.2023 .4603 999.9900 -.4035 .6576 .0217 .0351 .3758 .2338 .0742 56 LYS 56 -.5163 .0465 999.9900 .6878 .6340 .3080 -.9676 -.0697 -.4438 .0718 57 ARG 57 -1.5415 1.0858 999.9900 .5548 -.2445 .0819 .0183 .4634 .2779 .1273 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -1.2432 -1.9574 -.4435 .3861 .0174 -.9931 59 GLU 59 -.5578 -.4402 999.9900 -1.0323 -.7952 -.7064 .2535 .5694 .4377 -.3338 60 LYS 60 -.9563 -2.9005 999.9900 .6133 .7669 -.3727 .2871 .4520 .3833 -.1606 61 VAL 61 -.1853 999.9900 .8662 999.9900 -.3121 .1229 .3429 .6281 .5093 .2680 62 PHE 62 -.2058 .8396 999.9900 999.9900 -.9498 -.1053 .0966 .6039 .3925 .0769 63 LEU 63 -.8349 -1.4996 999.9900 999.9900 -3.2047 -1.8464 -.5704 .0488 -.2092 -1.2122 64 THR 64 -3.6133 999.9900 .0483 999.9900 -2.7258 -2.0969 -.0170 .2308 .1275 -1.2154 65 VAL 65 -1.7159 999.9900 -.0276 999.9900 .8960 -.2825 .5103 .5477 .5321 .0421 66 GLY 66 -.1573 999.9900 999.9900 999.9900 -.1733 -.1653 -.2576 .6910 .2694 .0257 67 TRP 67 .4280 .5502 999.9900 999.9900 -1.6678 -.2298 -.1851 .5360 .2355 -.0677 68 GLU 68 .3258 -.1645 999.9900 -1.0323 .3899 -.1203 .2435 .4660 .3733 .0380 69 ASN 69 1.3908 -1.3461 999.9900 999.9900 -.4633 -.1395 -.4669 .2681 -.0382 -.1235 70 PHE 70 .8041 -.6014 999.9900 999.9900 .7573 .3200 .3610 .3282 .3419 .3299 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .4426 .1367 .2159 .5663 .4203 .2384 72 LYS 72 .6780 .1550 999.9900 .4996 -.5755 .2513 .5347 .2086 .3445 .2857 73 ASP 73 .2706 -.3095 999.9900 999.9900 .0375 -.0004 .5790 .3500 .4454 .1855 74 ASN 74 .2400 -1.0869 999.9900 999.9900 -.1777 -.3415 .3879 .3944 .3917 -.0484 75 ASN 75 -1.7258 -.4258 999.9900 999.9900 -.0278 -.7264 .1093 -.0105 .0395 -.4161 76 LEU 76 -.6830 .8730 999.9900 999.9900 .2713 .1538 -.8202 .4688 -.0683 .0220 77 GLU 77 -.9070 -.4402 999.9900 -1.0323 -1.2865 -.9165 -.9504 .2312 -.2611 -.7309 78 ASP 78 -.2149 -1.0518 999.9900 999.9900 .9215 -.1151 .0464 .5151 .3198 .0432 79 GLY 79 -2.6716 999.9900 999.9900 999.9900 .3466 -1.1625 .4473 .6897 .5820 -.2970 80 LYS 80 -.7292 1.1188 999.9900 -.0397 -2.6618 -.4703 .5426 .3796 .4475 -.2042 81 TYR 81 .4403 .8258 999.9900 999.9900 .7784 .6815 -1.5715 .5094 -.3576 .1965 82 LEU 82 -.6392 -3.3760 999.9900 999.9900 -.2790 -1.4314 -.7640 .5044 -.0241 -.9108 83 GLN 83 -.4424 .4157 999.9900 1.3059 .6133 .4731 -.8791 .0370 -.3447 .1751 84 PHE 84 -.2255 .1357 999.9900 999.9900 -.9498 -.3465 -.3639 .6032 .2002 -.1601 85 ILE 85 -.3198 .2838 999.9900 999.9900 -2.8566 -.9642 -.7133 .3287 -.1055 -.6554 86 TYR 86 .0686 -.0773 999.9900 999.9900 .6556 .2156 .2929 .0546 .1539 .1989 87 ASP 87 .0771 -1.4992 999.9900 999.9900 -.0689 -.4970 .2457 .3865 .3278 -.1718 88 ARG 88 -1.6049 1.0858 999.9900 .1593 .6379 .0875 -.0733 .1881 .0791 .0789 89 ASP 89 -2.3854 -1.2611 999.9900 999.9900 .5121 -1.0448 -1.1405 -.8683 -.9818 -1.0287 90 ARG 90 -2.0927 -.1448 999.9900 1.0856 -.0761 -.0285 .3798 .6341 .5281 .1245 91 THR 91 .1734 999.9900 .2916 999.9900 -2.7258 -.7536 .2022 .4075 .3220 -.3302 92 PHE 92 .0900 .3498 999.9900 999.9900 -2.2412 -.6005 -.0333 -.2222 -.1435 -.4114 93 TYR 93 -.0287 .8492 999.9900 999.9900 -1.0119 -.0638 .1681 .3536 .2763 .0661 94 VAL 94 .1037 999.9900 -.2457 999.9900 .2853 .0478 .5992 .6765 .6443 .2838 95 ILE 95 .3408 -3.0500 999.9900 999.9900 .3195 -.7966 .1932 .3554 .2878 -.3682 96 ILE 96 .0813 -3.0500 999.9900 999.9900 -.5989 -1.1892 -.1337 .5101 .2419 -.6382 97 TYR 97 -.6832 .8258 999.9900 999.9900 -1.0119 -.2898 -.1379 .4931 .2302 -.1028 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 -.2990 -1.1216 .0294 .4560 .2664 -.4394 99 HIS 99 -3.0884 -.5551 999.9900 999.9900 -.6493 -1.4309 .5789 .4738 .5176 -.6480 100 ASN 100 -3.4329 -1.0869 999.9900 999.9900 -.1777 -1.5658 -.4780 .1676 -.1014 -1.0016 101 MET 101 -1.1708 -2.5481 999.9900 .9587 -.5376 -.8245 .0506 .2718 .1796 -.4959 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .3349 .4946 .4262 .3197 Means: -.5467 -.4408 .0246 .3114 -.2842 -.3085 -.0711 .3722 .1867 -.1329 2.00 refined_6