1 MET 1 999.9900 .5321 999.9900 .9587 -.8385 .2174 .2826 .5079 .4055 .2885 2 THR 2 .0164 999.9900 -.8810 999.9900 -1.1761 -.6803 -.2711 .4656 .1586 -.3693 3 GLU 3 -2.0601 1.2230 999.9900 -1.0323 .4526 -.3542 -1.6277 .1359 -.5990 -.4848 4 VAL 4 -.0463 999.9900 -1.0788 999.9900 .3827 -.2474 -.9948 .5458 -.0961 -.2383 5 TYR 5 .5504 -1.1984 999.9900 999.9900 -1.9776 -.8752 .0511 .6901 .4238 -.3769 6 ASP 6 -.0277 -2.0001 999.9900 999.9900 .0868 -.6470 -2.3337 -.1377 -1.0527 -.8825 7 LEU 7 -.4930 .8847 999.9900 999.9900 -3.2047 -.9377 -1.3382 .4172 -.3142 -.7468 8 GLU 8 -1.1136 .7809 999.9900 1.1588 -1.0906 -.0661 -2.5010 .1805 -.9368 -.4308 9 ILE 9 -.1408 -.0414 999.9900 999.9900 -.7199 -.3007 -1.2516 .6190 -.1604 -.3069 10 THR 10 .5049 999.9900 -.8810 999.9900 -1.6680 -.6814 -2.2330 .3253 -.7407 -.7904 11 THR 11 -.8088 999.9900 -.8810 999.9900 .6112 -.3595 -1.6787 .1552 -.6089 -.5204 12 ASN 12 .0279 -.2320 999.9900 999.9900 .5588 .1183 .1665 .6151 .4282 .2273 13 ALA 13 -.6749 999.9900 999.9900 999.9900 .4419 -.1165 .3652 .6420 .5267 .1935 14 THR 14 .3531 999.9900 .7650 999.9900 .8957 .6712 -.1535 .5897 .2800 .4900 15 ASP 15 -.7799 -.0652 999.9900 999.9900 .1786 -.2222 .0111 .4684 .2779 -.0374 16 PHE 16 .0900 .8396 999.9900 999.9900 .1482 .3592 .4158 .6396 .5464 .4266 17 PRO 17 .5449 999.9900 999.9900 999.9900 .5793 .5621 .2078 .5823 .4263 .4786 18 MET 18 -.6343 .6585 999.9900 2.6340 .0476 .6764 -.0474 .5626 .3084 .5368 19 GLU 19 -.5863 1.1195 999.9900 .3501 -.1261 .1893 .2689 .6626 .4985 .2814 20 LYS 20 -.6340 -.1469 999.9900 -.0770 -1.0384 -.3946 .3786 .1221 .2290 -.2104 21 LYS 21 -.3161 .8340 999.9900 .7677 .2547 .4616 .5021 .6812 .6066 .4987 22 TYR 22 -.0390 .8463 999.9900 999.9900 .8517 .5530 .5436 .2971 .3998 .4999 23 PRO 23 .3744 999.9900 999.9900 999.9900 .7618 .5681 .5902 .6097 .6016 .5841 24 ALA 24 -.5171 999.9900 999.9900 999.9900 .0520 -.2326 .3077 .6415 .5025 .1210 25 GLY 25 -.2363 999.9900 999.9900 999.9900 .4101 .0869 .2142 .4766 .3600 .2161 26 MET 26 -1.0204 .5321 999.9900 .9587 .7725 .3107 .4218 -.3791 -.0454 .2143 27 SER 27 -.1428 999.9900 -.0289 999.9900 .3088 .0457 .3822 .6690 .5495 .2377 28 LEU 28 .8475 -2.3037 999.9900 999.9900 .2713 -.3950 .3484 .4159 .3878 -.0841 29 ASN 29 1.1678 1.2520 999.9900 999.9900 .8607 1.0935 .5601 .5045 .5277 .8690 30 ASP 30 .9343 -1.0518 999.9900 999.9900 -.1266 -.0814 .3884 .5775 .4987 .1444 31 LEU 31 1.1349 .5315 999.9900 999.9900 -.7775 .2963 .1579 .5401 .3809 .3174 32 LYS 32 .9451 1.0637 999.9900 .1731 .2547 .5219 -1.1207 .3175 -.2817 .2581 33 LYS 33 1.0429 .9554 999.9900 -.0397 -.3378 .3162 -.1501 .2828 .1024 .2448 34 LYS 34 .8536 -.0931 999.9900 .5368 -.4892 .2690 -.5977 .0804 -.2021 .1182 35 LEU 35 1.1349 .8847 999.9900 999.9900 .4227 .8141 .0208 .4237 .2558 .5773 36 GLU 36 .8733 .6194 999.9900 -1.0323 -.4821 -.0054 -.4129 .1391 -.0909 -.0492 37 LEU 37 .2872 .5315 999.9900 999.9900 .4227 .4138 .3611 .6351 .5210 .4475 38 VAL 38 -1.1682 999.9900 .8055 999.9900 -1.0415 -.4681 .5543 .6671 .6201 -.0366 39 VAL 39 -.6856 999.9900 -.2457 999.9900 .6025 -.1096 .4215 .5835 .5160 .1352 40 GLY 40 1.1139 999.9900 999.9900 999.9900 .7185 .9162 .1499 .6972 .4540 .6699 41 THR 41 -.6082 999.9900 .6346 999.9900 -1.3910 -.4549 -.2112 .2308 .0466 -.2690 42 THR 42 -.1094 999.9900 -.8810 999.9900 -2.7258 -1.2387 -.2340 .5020 .1953 -.6896 43 VAL 43 .7683 999.9900 .5873 999.9900 -.0858 .4233 .1462 .0835 .1096 .2999 44 ASP 44 .2994 -1.5469 999.9900 999.9900 .5121 -.2452 .2134 .6816 .4865 .0319 45 SER 45 .2458 999.9900 .3727 999.9900 .4364 .3517 -.9323 .1891 -.2782 .0624 46 MET 46 -.1902 -.7184 999.9900 .9587 .8447 .2237 .2057 .6592 .4702 .2933 47 ARG 47 -.4155 .8024 999.9900 1.0856 -.8847 .3347 .6185 .0271 .2735 .3313 48 ILE 48 .5210 -.0177 999.9900 999.9900 -.8571 -.1180 .3753 .6147 .5150 .1272 49 GLN 49 -.4424 -.5355 999.9900 1.3059 .6605 .2471 .5817 .2883 .4105 .3097 50 LEU 50 -.4786 -1.4036 999.9900 999.9900 -.0308 -.6377 -.6039 .5794 .0864 -.3875 51 PHE 51 -.0970 .8160 999.9900 999.9900 .7573 .4921 -.9620 .5673 -.0699 .2163 52 ASP 52 -.7005 -1.3328 999.9900 999.9900 .4469 -.5288 -.6855 .4223 -.0393 -.3699 53 GLY 53 .5723 999.9900 999.9900 999.9900 -.6865 -.0571 .1824 .4888 .3526 .1393 54 ASP 54 -1.9993 -.2599 999.9900 999.9900 .9215 -.4459 .4500 .6085 .5425 -.0558 55 ASP 55 -3.3417 -1.4116 999.9900 999.9900 .8104 -1.3143 .1899 -.2340 -.0574 -.7974 56 GLN 56 -3.1236 .5239 999.9900 1.3059 .7055 -.1471 -1.4432 -.1615 -.6955 -.3655 57 LEU 57 -.3855 .5315 999.9900 999.9900 .7753 .3071 -.3616 .5441 .1668 .2208 58 LYS 58 .0419 .2033 999.9900 .4411 .2547 .2764 -.2396 .5288 .2087 .2388 59 GLY 59 -.2744 999.9900 999.9900 999.9900 .4883 .1070 -1.1784 .5952 -.1931 -.0923 60 GLU 60 -.5863 .8034 999.9900 -1.0323 -.6780 -.3733 -.8891 .3584 -.1614 -.3373 61 LEU 61 -3.7702 .8730 999.9900 999.9900 -.2242 -1.0405 .1896 .2829 .2440 -.5298 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .7766 -1.4370 -.4933 -1.8101 -1.2614 -1.3229 63 ASP 63 -3.3417 -1.3712 999.9900 999.9900 -.3974 -1.7034 .5449 .2871 .3945 -.8557 64 GLY 64 -.0138 999.9900 999.9900 999.9900 -.5578 -.2858 .4414 -.2149 .0768 -.0862 65 ALA 65 -.4579 999.9900 999.9900 999.9900 .7458 .1440 .4399 .4690 .4569 .2992 66 LYS 66 -2.1934 -.2695 999.9900 1.0544 .4783 .0248 .3055 .2011 .2446 .0901 67 SER 67 -.2386 999.9900 -.7153 999.9900 .1994 -.2515 -3.3457 .3459 -1.1923 -.7509 68 LEU 68 .2140 .3561 999.9900 999.9900 -.0758 .1648 -.3192 .1046 -.0720 .0559 69 LYS 69 1.0838 .4083 999.9900 -.0397 .5595 .3944 .5970 .6647 .6365 .4620 70 ASP 70 1.1285 -.7325 999.9900 999.9900 .2628 .2196 .3075 .6141 .4864 .3161 71 LEU 71 -.2213 .8847 999.9900 999.9900 .7348 .4661 .3980 .6507 .5454 .4894 72 GLY 72 1.0529 999.9900 999.9900 999.9900 .8277 .9403 .1838 .6946 .4676 .6897 73 VAL 73 -3.4930 999.9900 .6672 999.9900 .5258 -.7667 -.3992 .4465 .0941 -.4505 74 ARG 74 -1.7561 1.1781 999.9900 1.4811 .7064 .6181 -.1303 .6224 .3088 .5118 75 ASP 75 -.0929 -.9304 999.9900 999.9900 .5121 -.1704 -1.4788 .5547 -.2926 -.2871 76 GLY 76 .9055 999.9900 999.9900 999.9900 .3466 .6260 .4791 .6672 .5836 .5996 77 TYR 77 -.5197 .5297 999.9900 999.9900 .2769 .0956 .1716 .5791 .4093 .2075 78 ARG 78 -.5160 -.0540 999.9900 .5548 -.0022 .1075 -.7167 .4655 -.0271 .0409 79 ILE 79 .1597 -.0177 999.9900 999.9900 .7362 .2927 -.7039 .5290 .0153 .1407 80 HIS 80 -.7615 .4861 999.9900 999.9900 -.3908 -.2221 -1.2724 .6669 -.1412 -.2543 81 ALA 81 -.8937 999.9900 999.9900 999.9900 .6390 -.1274 -.6421 .4681 .0055 -.1072 82 VAL 82 .0429 999.9900 -.2457 999.9900 .5521 .1164 -.2202 .3898 .1357 .1038 83 ASP 83 -.1512 -.3302 999.9900 999.9900 .5431 .0206 -.4989 .5135 .0917 .0153 84 VAL 84 -1.6424 999.9900 .3968 999.9900 -1.3636 -.8697 .3258 .6353 .5063 -.3296 85 THR 85 -.3748 999.9900 -.8810 999.9900 -.1184 -.4581 .3908 .4302 .4137 -.1107 86 GLY 86 -.6968 999.9900 999.9900 999.9900 .0351 -.3308 .6377 .4784 .5492 .1136 87 GLY 87 -.6468 999.9900 999.9900 999.9900 -.1733 -.4100 -.0362 .4299 .2227 -.1066 88 ASN 88 -.1778 -.1227 999.9900 999.9900 .2129 -.0292 .0739 .6195 .3922 .1212 89 GLU 89 -.7937 -2.8418 999.9900 -1.0323 .2865 -1.0953 .2496 .1875 .2134 -.6574 90 ASP 90 999.9900 -.2599 999.9900 999.9900 999.9900 -.2599 .3692 .4751 .4297 .1948 Means: -.3637 .0210 -.1873 .5111 .0357 -.0476 -.2042 .4048 .1495 .0118 2.00 refined_14