1 MET 1 999.9900 -.1452 999.9900 .9587 .6950 .5028 .6142 .6643 .6415 .5574 2 ALA 2 -.6579 999.9900 999.9900 999.9900 .7881 .0651 .4650 .6316 .5622 .3067 3 ASP 3 -.5058 -.3515 999.9900 999.9900 -.1266 -.3280 -.5235 .0453 -.1917 -.2924 4 THR 4 -2.6731 999.9900 .7650 999.9900 .1092 -.5996 -.0034 .2301 .1328 -.3144 5 GLY 5 -.3903 999.9900 999.9900 999.9900 .3466 -.0219 -.6880 .4891 -.0340 -.0607 6 GLU 6 -1.9801 -.4402 999.9900 -1.0323 .0814 -.8428 -.7252 .2977 -.1285 -.6331 7 VAL 7 -.0951 999.9900 .1416 999.9900 -1.1891 -.3809 -1.0963 .4254 -.2087 -.3627 8 GLN 8 -.4190 -.9749 999.9900 1.3059 .3348 .0617 -.5039 .0569 -.1767 -.0334 9 PHE 9 -.1316 .8308 999.9900 999.9900 .4513 .3835 -.3549 .5772 .1888 .2746 10 MET 10 -.0824 -.7184 999.9900 .9587 .6113 .1923 .1399 .5373 .3717 .2411 11 LYS 11 -.7523 -2.9005 999.9900 -.0397 -.2082 -.7881 -.4087 .1596 -.0772 -.5985 12 PRO 12 -.9057 999.9900 999.9900 999.9900 -.5244 -.7150 -.2648 .0328 -.0912 -.4155 13 PHE 13 -.1586 -.6308 999.9900 999.9900 -.0962 -.2952 -.0336 .0518 .0162 -.1735 14 ILE 14 .3408 .6227 999.9900 999.9900 -1.4322 -.1562 .2466 .3355 .2984 .0227 15 SER 15 .5661 999.9900 .3727 999.9900 .9098 .6162 .3763 .5711 .4899 .5592 16 GLU 16 .5470 1.1195 999.9900 -1.0323 .1264 .1901 .6117 .6764 .6495 .3414 17 LYS 17 -.8267 .8340 999.9900 .3240 -.5755 .0160 .2832 .6112 .4746 .1392 18 SER 18 -.9598 999.9900 -.7153 999.9900 -.7427 -.8060 -.0293 .5705 .3206 -.3753 19 SER 19 .7489 999.9900 -.0289 999.9900 .5215 .4138 .3349 .4605 .4082 .4074 20 LYS 20 -3.5196 .9683 999.9900 1.2950 -2.6618 -.5246 .6274 .5242 .5672 -.2102 21 SER 21 .2423 999.9900 -.0289 999.9900 -.0193 .0647 .4840 .1693 .3004 .1695 22 LEU 22 -.1897 .8847 999.9900 999.9900 -.1229 .1907 .1052 .1539 .1336 .1662 23 GLU 23 -.5863 -.5578 999.9900 -1.0323 .2491 -.4818 -.3739 .5277 .1521 -.2956 24 ILE 24 .0813 -.0177 999.9900 999.9900 .6382 .2339 .4745 .5995 .5474 .3552 25 PRO 25 .4049 999.9900 999.9900 999.9900 .5793 .4921 .5639 .5434 .5520 .5229 26 LEU 26 .8786 -1.4996 999.9900 999.9900 .4774 -.0479 .3148 .4681 .4042 .1279 27 GLY 27 .9829 999.9900 999.9900 999.9900 .4303 .7066 .6296 .5817 .6030 .6561 28 PHE 28 -.5116 .3244 999.9900 999.9900 -.0075 -.0649 .6388 .5802 .6046 .2049 29 ASN 29 .6990 -1.0148 999.9900 999.9900 .9106 .1982 .3885 .6243 .5260 .3215 30 GLU 30 -.3012 -.3402 999.9900 -1.0323 .2101 -.3659 .6765 .6415 .6561 -.0243 31 TYR 31 .3338 .5582 999.9900 999.9900 .6556 .5159 .5411 .6589 .6098 .5495 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -1.2178 -1.9278 .0646 .1993 .1432 -1.1039 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .8563 .0663 -2.4121 -.0723 -1.0472 -.5879 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.1070 -.7752 .0740 -.2180 -.0963 -.4236 35 PRO 35 .0321 999.9900 999.9900 999.9900 -1.0436 -.5058 -.2181 .2101 .0317 -.2549 36 PHE 36 -.5560 .1164 999.9900 999.9900 .5949 .0518 -.6211 .2725 -.0998 -.0387 37 PRO 37 .1879 999.9900 999.9900 999.9900 -.8366 -.3244 -.1111 .6129 .3113 -.0367 38 ILE 38 -1.4270 -.0414 999.9900 999.9900 .4912 -.3257 .2873 .3116 .3015 -.0757 39 THR 39 .3976 999.9900 -.8810 999.9900 -1.0006 -.4947 .0476 .5681 .3512 -.1737 40 VAL 40 -.0523 999.9900 .1416 999.9900 -.3121 -.0742 -.2065 .1104 -.0217 -.0638 41 ASP 41 -1.0681 -1.7735 999.9900 999.9900 .6856 -.7187 -.4053 .4403 .0879 -.4242 42 LEU 42 -.0536 .5280 999.9900 999.9900 .3648 .2798 -.7399 .4346 -.0548 .1068 43 LEU 43 -.4930 -1.4996 999.9900 999.9900 .1315 -.6204 -.3577 .4654 .1224 -.3507 44 ASP 44 -1.3478 -.2599 999.9900 999.9900 .5431 -.3549 .4590 .4157 .4337 -.0380 45 TYR 45 1.0926 .5339 999.9900 999.9900 .1301 .5855 .6299 .3282 .4539 .5429 46 SER 46 .1386 999.9900 -.7153 999.9900 .6235 .0156 .5138 .5141 .5140 .2150 47 GLY 47 .6263 999.9900 999.9900 999.9900 .4101 .5182 .2134 .6681 .4660 .4795 48 ARG 48 -.3457 .3075 999.9900 .6901 .9385 .4561 -1.0951 .6153 -.0974 .2572 49 SER 49 .0374 999.9900 -.7153 999.9900 .0290 -.2163 -.7901 .6089 .0260 -.1660 50 TRP 50 -.3875 -1.3095 999.9900 999.9900 .7198 -.3258 -.3856 .5494 .1598 -.1627 51 THR 51 -.2319 999.9900 .4804 999.9900 .6112 .2866 -.0543 .5734 .3118 .2757 52 VAL 52 -.3637 999.9900 -1.0788 999.9900 .6734 -.2564 -.5322 .5517 .1001 -.1499 53 ARG 53 -.5160 1.1781 999.9900 .5548 -1.7309 .0082 -.1997 .2586 .0676 .0143 54 MET 54 -1.0204 .1642 999.9900 .9587 .9122 .2537 .2328 .3852 .3217 .2721 55 LYS 55 -.2455 -2.1617 999.9900 .6812 -2.0338 -.6157 .0477 .2268 .1522 -.4006 56 LYS 56 -.3543 -.2432 999.9900 .3240 -1.6664 -.3232 -1.6322 -.0371 -.7017 -.4693 57 ARG 57 -1.5415 .7735 999.9900 .1593 .4837 .0068 .0155 .6512 .3863 .1001 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 .0354 .6724 .3893 -.3681 59 GLU 59 -1.0162 1.1195 999.9900 -1.0323 .2101 -.1797 .5017 .6444 .5849 .0712 60 LYS 60 -.2799 1.1488 999.9900 .3240 -.6710 .1692 -.4247 .5853 .1645 .1438 61 VAL 61 -.3909 999.9900 .1416 999.9900 .6959 .1489 -1.6848 .2575 -.5518 -.1961 62 PHE 62 -.4041 .5902 999.9900 999.9900 .2815 .1558 -1.1761 .3013 -.3143 -.0815 63 LEU 63 -.4065 -1.4996 999.9900 999.9900 -2.5031 -1.4697 -1.6448 -.1737 -.7867 -1.2455 64 THR 64 -2.3261 999.9900 -.8810 999.9900 -.8522 -1.3531 -.2751 .1446 -.0303 -.8380 65 VAL 65 -1.1312 999.9900 .3968 999.9900 -2.9040 -1.2128 -.3325 .2706 .0193 -.7401 66 GLY 66 -3.4864 999.9900 999.9900 999.9900 -1.5458 -2.5161 -.1818 -.6276 -.4294 -1.4604 67 TRP 67 .4280 .0052 999.9900 999.9900 -.1614 .0906 .3363 .4185 .3843 .2053 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 .3223 -.7773 .0724 -.4446 -.2292 -.5802 69 ASN 69 1.1117 1.1578 999.9900 999.9900 -.2632 .6688 -1.0391 .2564 -.2834 .2447 70 PHE 70 .6259 -.1118 999.9900 999.9900 -.1944 .1066 .3129 .3399 .3287 .1945 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5776 .1817 .5310 .5806 .5599 .3313 72 LYS 72 .8536 .0381 999.9900 -.0770 -.4892 .0497 .4564 .0861 .2404 .1130 73 ASP 73 .9921 -.5059 999.9900 999.9900 .6587 .3816 .5378 .2894 .3929 .3944 74 ASN 74 -.6931 .4888 999.9900 999.9900 -.2632 -.1558 .6275 .4712 .5363 .1262 75 ASN 75 -3.4329 .2165 999.9900 999.9900 -.8850 -1.3671 -.1249 .2853 .1144 -.7882 76 LEU 76 -1.8830 -1.9410 999.9900 999.9900 -2.5031 -2.1090 .1804 .2126 .1992 -1.1868 77 GLU 77 -2.1524 -.5578 999.9900 -1.0323 -1.2865 -1.2573 .4238 .4510 .4397 -.6924 78 ASP 78 -.1718 -.8657 999.9900 999.9900 -1.3622 -.7999 -.1842 .5373 .2367 -.4093 79 GLY 79 -.6631 999.9900 999.9900 999.9900 -.8367 -.7499 -.1639 .0516 -.0441 -.4030 80 LYS 80 -.1765 .6560 999.9900 .8261 -2.0338 .0196 -.5334 -.3908 -.4502 -.1180 81 TYR 81 .1961 .8492 999.9900 999.9900 -1.9776 -.3108 -1.1593 .4991 -.1919 -.3185 82 LEU 82 -.6392 -1.9980 999.9900 999.9900 .4774 -.7199 -1.3724 -.0045 -.5745 -.7074 83 GLN 83 -.4190 -.2368 999.9900 1.3059 .6605 .3276 -.3660 .4841 .1299 .2381 84 PHE 84 .0058 .8396 999.9900 999.9900 -.7419 .0345 -.3111 .5051 .1650 .0595 85 ILE 85 .1597 .2838 999.9900 999.9900 .7362 .3932 -.7391 .4638 -.0375 .1809 86 TYR 86 .4403 -.7306 999.9900 999.9900 .1301 -.0534 -.3877 .5625 .1666 .0029 87 ASP 87 -2.8635 -2.4630 999.9900 999.9900 -1.8780 -2.4015 .1685 .1994 .1865 -1.3673 88 ARG 88 -2.9267 -1.1343 999.9900 .6901 -.7163 -.6794 .3923 .3293 .3556 -.3822 89 ASP 89 -1.4736 -.7325 999.9900 999.9900 .8104 -.4652 -.8617 -.0837 -.4078 -.4682 90 ARG 90 -.7709 -2.3766 999.9900 1.0856 .3956 -.1162 .0508 .3944 .2513 -.0194 91 THR 91 .1937 999.9900 .4804 999.9900 -.3332 .1136 -.0494 .3736 .1974 .1330 92 PHE 92 .0900 .1608 999.9900 999.9900 -.9498 -.2330 -.3285 .5860 .2049 -.0883 93 TYR 93 .0686 .5297 999.9900 999.9900 -1.0119 -.1379 -.3101 .4942 .1591 -.0459 94 VAL 94 -.6656 999.9900 .1416 999.9900 -1.3636 -.6292 .1318 .6023 .4063 -.2307 95 ILE 95 .0187 .6227 999.9900 999.9900 .3195 .3203 -.4344 .3045 -.0034 .1662 96 ILE 96 -.2299 .4983 999.9900 999.9900 .3195 .1960 -.0836 .5427 .2817 .2094 97 TYR 97 .0686 -.6802 999.9900 999.9900 .3421 -.0899 -1.7885 -.0431 -.7703 -.4202 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .2782 -1.6041 -2.7409 .6197 -.8739 -1.3323 99 HIS 99 -1.9498 .5883 999.9900 999.9900 -1.0138 -.7918 .0509 .2140 .1461 -.4221 100 ASN 100 -1.5023 1.0524 999.9900 999.9900 -.4633 -.3044 -.3059 .6007 .2229 -.1237 101 MET 101 -1.4527 .8879 999.9900 .9587 .3104 .1761 -.1827 .1933 .0366 .1192 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.1626 .0235 -.0563 -.0032 Means: -.5481 -.2178 -.1543 .3306 -.2151 -.2488 -.1752 .3562 .1338 -.1195 2.00 refined_18