1 MET 1 999.9900 .8105 999.9900 .9587 -1.9874 -.0727 .1967 .3529 .2819 .0663 2 ALA 2 -2.0946 999.9900 999.9900 999.9900 -1.4870 -1.7908 -.2156 .2380 .0490 -.8898 3 ASP 3 -.5526 -.3623 999.9900 999.9900 -.3974 -.4375 -.8122 .6608 .0470 -.2928 4 THR 4 -1.1163 999.9900 .0483 999.9900 .7766 -.0971 .3160 .5055 .4265 .1060 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 -.2133 -1.1854 -1.1183 .4252 -.2608 -.7660 6 GLU 6 -.8365 .6046 999.9900 -1.0323 .2101 -.2635 .0269 .4161 .2540 -.1018 7 VAL 7 -.0951 999.9900 -.2457 999.9900 .6734 .1108 -.1795 .5813 .2643 .1469 8 GLN 8 -.2217 -.5355 999.9900 1.3059 -.7286 -.0450 -.5231 .3856 .0070 -.0529 9 PHE 9 -.3209 .7639 999.9900 999.9900 -.0075 .1452 -.6598 .3159 -.0907 .0183 10 MET 10 -.3206 -2.5481 999.9900 .9587 -.5376 -.6119 -.3791 .4205 .0873 -.4010 11 LYS 11 -.6340 .1966 999.9900 -.4035 -1.6664 -.5822 .0040 .3521 .2070 -.3650 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4021 .3882 -.9895 .4755 -.1349 .0656 13 PHE 13 .0900 -.6160 999.9900 999.9900 .4513 -.0249 -.3758 .5394 .1581 .0178 14 ILE 14 .0813 .6227 999.9900 999.9900 -1.4322 -.2427 .3418 .5115 .4408 .0251 15 SER 15 .1386 999.9900 -.7153 999.9900 -.7427 -.4398 .3740 .4290 .4061 -.1033 16 GLU 16 1.0761 1.2631 999.9900 -1.0323 .0339 .3352 .2768 .3569 .3235 .3291 17 LYS 17 -2.0221 -2.1617 999.9900 1.4536 -.4892 -.3531 .0774 .3357 .2281 -.1932 18 SER 18 -.1309 999.9900 -.0289 999.9900 -1.9795 -.7131 .4887 .3007 .3790 -.2700 19 SER 19 .6980 999.9900 .3727 999.9900 .6931 .5879 .6131 .3534 .4616 .5461 20 LYS 20 -2.1024 -.0529 999.9900 .4996 -.4892 -.3291 .6547 .5971 .6211 -.0562 21 SER 21 .0135 999.9900 .3727 999.9900 -.1819 .0681 -.1746 .5494 .2477 .1158 22 LEU 22 -.0411 -2.3037 999.9900 999.9900 .5787 -.5887 -.2627 .2615 .0431 -.3535 23 GLU 23 -.6642 -.5578 999.9900 -1.0323 .3899 -.4661 .2540 .6672 .4951 -.1572 24 ILE 24 -.0022 -3.0500 999.9900 999.9900 .3195 -.9109 .2666 .3517 .3162 -.4229 25 PRO 25 .1313 999.9900 999.9900 999.9900 -1.0436 -.4562 .6550 .5565 .5975 .0748 26 LEU 26 .2872 -1.4996 999.9900 999.9900 .8331 -.1264 .5160 .3065 .3938 .0887 27 GLY 27 .7290 999.9900 999.9900 999.9900 .4883 .6087 .6777 .6863 .6824 .6453 28 PHE 28 -.5116 .4845 999.9900 999.9900 .2172 .0634 .5803 .5441 .5592 .2629 29 ASN 29 .6639 -1.0148 999.9900 999.9900 .7518 .1336 .4845 .4884 .4868 .2748 30 GLU 30 .0468 .8332 999.9900 -1.0323 .6424 .1225 .1943 .5727 .4150 .2095 31 TYR 31 -.6832 .0164 999.9900 999.9900 -.2672 -.3113 .4099 .4876 .4552 -.0073 32 PHE 32 .1161 .8396 999.9900 999.9900 -2.2412 -.4285 .4787 .0922 .2532 -.1429 33 PRO 33 -4.5055 999.9900 999.9900 999.9900 .6188 -1.9434 .2037 .2783 .2472 -.8512 34 ALA 34 .7636 999.9900 999.9900 999.9900 -.2694 .2471 -.3143 -.2788 -.2936 -.0247 35 PRO 35 .6201 999.9900 999.9900 999.9900 .1187 .3694 .2370 .5418 .4148 .3794 36 PHE 36 -.1866 .8160 999.9900 999.9900 -.9498 -.1068 .2152 .5964 .4376 .0983 37 PRO 37 .0120 999.9900 999.9900 999.9900 -.2912 -.1396 -.2242 .4498 .1690 -.0134 38 ILE 38 -3.1479 -.0177 999.9900 999.9900 .3195 -.9487 .1802 .3825 .2982 -.4567 39 THR 39 .0347 999.9900 .2916 999.9900 .9813 .4359 -.8017 .5684 -.0025 .2148 40 VAL 40 -.3288 999.9900 .7395 999.9900 .6025 .3377 -.6645 -.1095 -.3407 .0478 41 ASP 41 -.5526 -1.5469 999.9900 999.9900 .5121 -.5292 -.1797 .4218 .1712 -.2691 42 LEU 42 .1006 .8730 999.9900 999.9900 .9730 .6488 -.7615 .4971 -.0273 .3364 43 LEU 43 -.6830 -1.5832 999.9900 999.9900 -.9806 -1.0823 -1.8292 .4924 -.4749 -.9167 44 ASP 44 -.8144 -1.7105 999.9900 999.9900 -.3226 -.9492 .3961 .2338 .3014 -.4435 45 TYR 45 .4403 .6919 999.9900 999.9900 .4594 .5305 .3304 -.2178 .0106 .3408 46 SER 46 -2.1138 999.9900 1.2119 999.9900 .5215 -.1268 .3243 .5844 .4761 .1057 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .0036 -1.7414 .2483 .5322 .4061 -.6756 48 ARG 48 -.5733 -.7463 999.9900 1.0005 .6017 .2566 .2751 .1575 .2065 .2451 49 SER 49 -.2734 999.9900 -.0289 999.9900 .1597 -.0475 .6094 .5256 .5605 .1985 50 TRP 50 -.1712 -1.3095 999.9900 999.9900 -1.6678 -1.0495 -.1841 .1085 -.0134 -.6448 51 THR 51 .0164 999.9900 1.0667 999.9900 -1.6680 -.1950 .2241 .4739 .3698 .0226 52 VAL 52 -.3637 999.9900 -.5532 999.9900 .1768 -.2467 .1150 .6526 .4286 .0055 53 ARG 53 -.4636 .8024 999.9900 .9503 .8581 .6195 .2669 .6045 .4638 .5670 54 MET 54 -.3503 .8879 999.9900 .9587 .6113 .5269 -.1101 .6225 .3173 .4367 55 LYS 55 -.2345 1.1488 999.9900 1.0897 -1.0384 .4111 -.1555 .4338 .1882 .3334 56 LYS 56 -.2858 1.1776 999.9900 .9953 -.8987 .3967 -3.3776 -.0345 -1.4275 -.2041 57 ARG 57 -1.4842 1.1781 999.9900 .1593 -1.7309 -.3437 -.4067 .2307 -.0349 -.2706 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .6890 -.9913 -.2396 .5191 .1819 -.4258 59 GLU 59 -1.0162 -.4584 999.9900 -1.0323 -.5746 -.7704 .2337 .5882 .4405 -.3766 60 LYS 60 -.2512 .8340 999.9900 .3240 .0060 .2474 .3476 .6490 .5234 .3191 61 VAL 61 -.3682 999.9900 .1416 999.9900 -.2503 -.1590 -.7336 .5989 .0437 -.1223 62 PHE 62 -.0017 .8160 999.9900 999.9900 .6382 .4842 -1.6508 .5410 -.3722 .0686 63 LEU 63 -.4108 -1.4036 999.9900 999.9900 -1.8015 -1.2053 -.0405 -.3139 -.2000 -.7940 64 THR 64 -2.6731 999.9900 -.8810 999.9900 .3342 -1.0733 .2903 .0163 .1304 -.5827 65 VAL 65 -.4192 999.9900 -.2457 999.9900 -.7002 -.4550 .2788 .3959 .3471 -.1381 66 GLY 66 -1.1938 999.9900 999.9900 999.9900 -1.0172 -1.1055 .2088 .4833 .3613 -.3797 67 TRP 67 .9492 -.0877 999.9900 999.9900 .8342 .5653 -.0719 .3245 .1593 .3897 68 GLU 68 .8733 -.7009 999.9900 -1.0323 -.1261 -.2465 .0803 .4579 .3006 -.0746 69 ASN 69 .9310 -.2921 999.9900 999.9900 .1585 .2658 -.2724 .3865 .1119 .1823 70 PHE 70 .6259 .3192 999.9900 999.9900 .2172 .3874 .4018 .5695 .4996 .4267 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5776 .1817 -.0619 .5427 .2908 .2052 72 LYS 72 .6780 -2.1617 999.9900 .6506 -2.0338 -.4433 .0758 .0762 .0760 -.2949 73 ASP 73 .2706 -1.1646 999.9900 999.9900 -1.1781 -.6907 .2038 .6168 .4447 -.2503 74 ASN 74 .3429 .3778 999.9900 999.9900 .1585 .2931 .0942 .4314 .2909 .2810 75 ASN 75 -2.3558 .1235 999.9900 999.9900 -2.3288 -1.5204 -1.0057 .0086 -.4140 -1.1116 76 LEU 76 -2.2364 -3.3760 999.9900 999.9900 .7139 -1.6328 -1.1436 -1.2453 -1.2030 -1.4575 77 GLU 77 -.9196 -.3402 999.9900 -1.0323 .0339 -.5646 .2985 .5986 .4736 -.2268 78 ASP 78 -.2149 -1.7735 999.9900 999.9900 -.7687 -.9191 .0703 .0271 .0451 -.5319 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -.8367 -1.3904 .2876 .2450 .2639 -.5620 80 LYS 80 -1.2016 1.1634 999.9900 -.0770 -.4892 -.1363 .4946 .3890 .4330 .0289 81 TYR 81 .1219 .8258 999.9900 999.9900 -.1498 .2660 .5252 .6280 .5851 .3902 82 LEU 82 -.3571 .8730 999.9900 999.9900 -1.5756 -.3532 .2380 .5155 .3999 -.0612 83 GLN 83 -.1966 .6816 999.9900 1.3059 .3348 .5314 -.8095 .3850 -.1127 .2835 84 PHE 84 -.2255 .8396 999.9900 999.9900 -2.2412 -.5424 -.1659 .5483 .2507 -.2489 85 ILE 85 -.3198 -.4893 999.9900 999.9900 -.4906 -.4332 -.8516 -.1394 -.4362 -.4581 86 TYR 86 -.0287 .5380 999.9900 999.9900 -.2672 .0807 -.7449 .6323 .0585 .0259 87 ASP 87 -.6430 -1.1062 999.9900 999.9900 .9215 -.2759 .2234 -.4387 -.1628 -.2086 88 ARG 88 -2.9267 -.7463 999.9900 .5548 -1.3564 -.7840 .4332 -.0700 .1396 -.5081 89 ASP 89 -2.3854 -1.7105 999.9900 999.9900 .8336 -1.0874 -1.0320 -.7000 -.8383 -.9989 90 ARG 90 -1.1245 -.7463 999.9900 .6901 -1.7309 -.4443 .3412 .0776 .1874 -.2575 91 THR 91 .1937 999.9900 .4804 999.9900 .1092 .2611 .2477 .3253 .2930 .2713 92 PHE 92 -.0168 .1608 999.9900 999.9900 -.0075 .0455 .2421 .4590 .3686 .1675 93 TYR 93 .0686 -1.2593 999.9900 999.9900 -.2672 -.4860 .1709 .3836 .2950 -.1807 94 VAL 94 .3116 999.9900 .1416 999.9900 -.1376 .1052 .4118 .6790 .5677 .2813 95 ILE 95 .1597 -3.0500 999.9900 999.9900 .4089 -.8271 -.1121 .3801 .1750 -.4427 96 ILE 96 .0718 -1.8577 999.9900 999.9900 -1.4322 -1.0727 -.0206 .6344 .3615 -.5208 97 TYR 97 -.4658 .2322 999.9900 999.9900 .6556 .1407 -.2011 .4091 .1549 .1260 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 -.2450 .6766 .2670 -.4371 99 HIS 99 -1.6168 1.1064 999.9900 999.9900 -.1902 -.2335 .0291 -.3787 -.2088 -.2100 100 ASN 100 -2.1824 -.4258 999.9900 999.9900 -.5831 -1.0638 .2398 -.8544 -.3985 -.7612 101 MET 101 -2.6662 .5321 999.9900 .9587 .0476 -.2820 .1684 .1197 .1400 -.1399 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .0186 .1766 .1088 .1083 Means: -.5694 -.3092 .0642 .3845 -.2506 -.2664 -.0589 .3326 .1688 -.1111 2.00 refined_7