1 ASP 1 999.9900 -.7325 999.9900 999.9900 -2.2874 -1.5100 .2745 -.2864 -.0314 -.7579 2 PRO 2 -3.0630 999.9900 999.9900 999.9900 -.6674 -1.8652 .4717 .6882 .5980 -.6426 3 ASN 3 .6639 -1.2512 999.9900 999.9900 -1.3432 -.6435 .5272 .5173 .5214 -.1772 4 ALA 4 -2.2766 999.9900 999.9900 999.9900 .6227 -.8269 -1.2752 .0588 -.4970 -.7176 5 GLU 5 -.7537 -2.3808 999.9900 -1.0323 -1.0906 -1.3144 -3.1276 -.0264 -1.3185 -1.4019 6 PHE 6 -2.2209 .6915 999.9900 999.9900 .4513 -.3594 .3436 .5107 .4411 -.0447 7 ASP 7 -1.5212 -1.1646 999.9900 999.9900 .4469 -.7463 .4985 .4469 .4684 -.2587 8 PRO 8 -.8358 999.9900 999.9900 999.9900 .4496 -.1931 .2596 .6078 .4627 .1203 9 ASP 9 .3915 -.3515 999.9900 999.9900 -.6624 -.2074 -.2122 .5020 .2044 -.0665 10 LEU 10 -.0766 -1.1684 999.9900 999.9900 .7348 -.1701 .4142 .4465 .4331 .0701 11 PRO 11 -.9386 999.9900 999.9900 999.9900 .2426 -.3480 .6540 .5433 .5894 .1253 12 GLY 12 .5723 999.9900 999.9900 999.9900 .2782 .4253 .6208 .6315 .6268 .5257 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.0631 .3769 .6603 .6122 .6335 .5066 14 GLY 14 1.1448 999.9900 999.9900 999.9900 -.7584 .1932 .5285 .6075 .5724 .3806 15 LEU 15 -.6576 .8730 999.9900 999.9900 -.2242 -.0030 -.2522 .6485 .2732 .0775 16 HIS 16 -1.2838 .4588 999.9900 999.9900 .5967 -.0761 -1.6912 .3722 -.4876 -.3095 17 ARG 17 -.0671 -2.8571 999.9900 .6901 -2.3710 -.7830 -2.8424 .1294 -1.1089 -.9469 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 .0951 .2486 .1846 -.2533 19 LEU 19 1.1349 .8730 999.9900 999.9900 .7949 .9343 .4803 .6669 .5892 .7900 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .6390 .2647 .6523 .6360 .6428 .4544 21 CYS 21 -.8048 999.9900 1.5962 999.9900 .2612 .3508 .4919 .4034 .4402 .3895 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0775 -1.1434 .3261 .5463 .4546 -.3536 23 ARG 23 -.6502 .7735 999.9900 .1593 .3956 .1675 -1.5778 .5445 -.3398 -.0280 24 TYR 24 .0406 .8258 999.9900 999.9900 .2769 .3811 -2.0499 .3217 -.6664 -.1170 25 PHE 25 .0629 -.4548 999.9900 999.9900 -.4285 -.2735 .2690 .4999 .4037 -.0103 26 ILE 26 -.3860 -.1544 999.9900 999.9900 -.1449 -.2285 .5195 .4901 .5023 .0648 27 ASP 27 -.9091 -.2599 999.9900 999.9900 .5431 -.2086 .6960 .5420 .6062 .1224 28 SER 28 .8760 999.9900 .6576 999.9900 .7982 .7773 .5468 .4095 .4667 .6576 29 THR 29 .7717 999.9900 -.2947 999.9900 -.1848 .0974 .5585 .5541 .5559 .2810 30 ASN 30 1.3908 .9797 999.9900 999.9900 -2.3288 .0139 .0792 .3994 .2660 .1041 31 LEU 31 .8182 -2.0611 999.9900 999.9900 .5787 -.2214 -1.2244 .4728 -.2344 -.2831 32 LYS 32 1.0429 .8340 999.9900 -.4035 .1791 .2498 .5430 .4766 .5042 .3241 33 THR 33 .7717 999.9900 .9776 999.9900 .1586 .6360 .3146 .4810 .4117 .5407 34 HIS 34 .9933 .8055 999.9900 999.9900 .5967 .7985 .1149 .2873 .2155 .5595 35 PHE 35 -.6709 -.0015 999.9900 999.9900 .8629 .0635 .6824 .0482 .3124 .1842 36 ARG 36 .6655 .1897 999.9900 .5548 .5640 .5058 .4960 .5368 .5198 .5088 37 SER 37 -1.6374 999.9900 .3727 999.9900 .1597 -.3683 .2580 .5815 .4467 -.0531 38 LYS 38 .7090 -2.9005 999.9900 .4405 .5850 -.1451 .1075 .2838 .2103 -.0477 39 ASP 39 .8349 -1.3328 999.9900 999.9900 .1337 -.1214 .4514 .2319 .3233 .0638 40 HIS 40 .0007 -.7214 999.9900 999.9900 -1.6368 -.7858 -3.0577 .4543 -1.0090 -.9922 41 LYS 41 .3654 .5574 999.9900 -.0397 -2.6618 -.3637 -.7781 -.4524 -.5881 -.4355 42 LYS 42 1.2214 .4325 999.9900 .3546 .1791 .5085 .2441 .5717 .4352 .4797 43 ARG 43 .8469 -.2334 999.9900 1.0856 .4837 .6536 .3906 .5337 .4741 .5989 44 LEU 44 .6509 -1.0469 999.9900 999.9900 -.8739 -.4233 .1400 .4793 .3379 -.1301 45 LYS 45 1.2214 -.6131 999.9900 .3240 .1791 .2871 .5533 .4918 .5174 .3544 46 GLN 46 .7370 1.0195 999.9900 1.3059 .6133 .9189 .5110 .5844 .5538 .7952 47 LEU 47 -.2311 .5315 999.9900 999.9900 .4774 .2593 .6123 .5299 .5642 .3840 48 SER 48 .1093 999.9900 -.7153 999.9900 .0747 -.1771 .5333 .5791 .5600 .1162 49 VAL 49 -1.5970 999.9900 .2799 999.9900 .8960 -.1404 .1023 .4824 .3240 .0327 50 GLU 50 -1.0469 1.1195 999.9900 -1.0323 .2865 -.1683 -.0502 .2898 .1481 -.0723 51 PRO 51 -1.0642 999.9900 999.9900 999.9900 -2.3298 -1.6970 .2290 .5865 .4376 -.6446 52 TYR 52 -.0083 -.7135 999.9900 999.9900 -.7591 -.4936 -.3660 .3774 .0677 -.2939 53 SER 53 -3.2405 999.9900 .6576 999.9900 .0290 -.8513 -1.7119 -.1088 -.7768 -.8749 54 GLN 54 -.4076 .6816 999.9900 3.6599 -1.6155 .5796 .5052 .0336 .2301 .4762 55 GLU 55 -1.5287 -.4584 999.9900 -1.0323 -.7952 -.9536 .1982 -.0500 .0534 -.6111 56 GLU 56 -3.2255 .6046 999.9900 -1.0323 -1.2865 -1.2349 .1897 .5487 .3991 -.7002 57 ALA 57 -2.6726 999.9900 999.9900 999.9900 -.9190 -1.7958 -5.1341 -.0047 -2.1419 -2.1826 58 GLU 58 -3.2255 -.2011 999.9900 -1.0323 -1.2865 -1.4364 -.0469 -.7130 -.4355 -1.0842 59 ARG 59 -1.2588 -.2334 999.9900 1.0856 -1.7309 -.2104 -.6214 .5674 .0721 -.1580 60 ALA 60 -2.8370 999.9900 999.9900 999.9900 -.7624 -1.7997 .0867 .3870 .2619 -.7814 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .0212 -1.7217 .2973 .4879 .4085 -.6645 62 GLY 62 -1.7786 999.9900 999.9900 999.9900 -.0291 -.9039 -.4825 .6289 .1349 -.4153 63 MET 63 -.3815 -.2135 999.9900 .9587 .3104 .1685 .1574 .5121 .3643 .2239 64 GLY 64 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 .0704 .6866 .4127 -.3557 65 SER 65 -1.5945 999.9900 -.0289 999.9900 .6705 -.3176 .3004 .6873 .5261 .0070 66 TYR 66 -2.5417 -.2907 999.9900 999.9900 .1301 -.9008 -4.8052 .2396 -1.8624 -1.4536 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -1.4661 -.6999 -1.0283 -1.0816 Means: -.5652 -.2328 .2321 .3309 -.2291 -.2350 -.2197 .3818 .1299 -.1128 2.00 refined_6