1 MET 1 999.9900 -2.5481 999.9900 .9587 .0476 -.5140 .3620 .4659 .4187 -.1428 2 THR 2 -1.0713 999.9900 -.2947 999.9900 .7246 -.2138 -.4526 .5708 .1444 -.1046 3 GLU 3 -3.2255 .7809 999.9900 -1.0323 -2.5035 -1.4951 -1.0265 .2883 -.2595 -1.1198 4 VAL 4 -.0145 999.9900 -1.0788 999.9900 .2144 -.2929 -.3569 .5782 .1886 -.1315 5 TYR 5 .5758 -1.3592 999.9900 999.9900 -.2672 -.3502 .3642 .5004 .4437 -.0372 6 ASP 6 -.1512 -.7868 999.9900 999.9900 .7866 -.0505 -1.2481 .1150 -.4530 -.2569 7 LEU 7 -.4930 -2.5464 999.9900 999.9900 -1.5756 -1.5383 -1.8586 .0187 -.7635 -1.2910 8 GLU 8 -1.1136 .7809 999.9900 -1.0323 -.7952 -.5401 -1.8707 .1490 -.6925 -.6470 9 ILE 9 .2768 .2838 999.9900 999.9900 -.4906 .0233 -.5243 .5702 .1141 .0232 10 THR 10 .1260 999.9900 .4804 999.9900 .7766 .4610 -2.0453 .4834 -.5702 -.0358 11 THR 11 .2973 999.9900 -.8810 999.9900 -.4170 -.3336 -4.9308 .4755 -1.7771 -1.0912 12 ASN 12 1.3908 -3.3254 999.9900 999.9900 -.2632 -.7326 -1.8413 .5024 -.4741 -.7073 13 ALA 13 .6496 999.9900 999.9900 999.9900 .9520 .8008 -.8394 .3597 -.1399 .2805 14 THR 14 .4874 999.9900 -.8810 999.9900 .6695 .0920 .3289 .1877 .2465 .1585 15 ASP 15 .1722 -.9533 999.9900 999.9900 -.4783 -.4198 .1669 .5158 .3704 -.1153 16 PHE 16 -.3673 .7639 999.9900 999.9900 .2172 .2046 .2554 .4160 .3491 .2570 17 PRO 17 -.5949 999.9900 999.9900 999.9900 .6931 .0491 -.8030 .4324 -.0824 -.0681 18 MET 18 -.1902 .5321 999.9900 .9587 -.1136 .2967 .0096 .6209 .3662 .3029 19 GLU 19 -.3890 -.6497 999.9900 -1.0323 .2865 -.4461 -.9288 .4720 -.1116 -.3735 20 LYS 20 -.5771 .5334 999.9900 .5131 -.2707 .1424 -.4455 .5104 .1121 .1110 21 LYS 21 -.2075 .8340 999.9900 .3240 .1791 .2907 .3694 .1513 .2422 .2821 22 TYR 22 .1219 .8376 999.9900 999.9900 .1301 .3632 .2776 .0983 .1730 .2931 23 PRO 23 -.5949 999.9900 999.9900 999.9900 .6931 .0491 .6554 .4201 .5181 .2934 24 ALA 24 .2107 999.9900 999.9900 999.9900 .6550 .4329 .0550 .6160 .3822 .3842 25 GLY 25 -.0783 999.9900 999.9900 999.9900 .7883 .3550 .5771 .6314 .6073 .4796 26 MET 26 -1.4527 -.5441 999.9900 .9587 .6113 -.1067 .4289 .5391 .4932 .0902 27 SER 27 .1787 999.9900 -.7153 999.9900 .3088 -.0759 .3859 .5328 .4716 .1382 28 LEU 28 .6509 -1.9410 999.9900 999.9900 .6926 -.1992 .2511 .5473 .4239 .0402 29 ASN 29 1.1678 1.2520 999.9900 999.9900 -.3577 .6874 .2645 .4868 .3942 .5627 30 ASP 30 .6354 -.8657 999.9900 999.9900 .4469 .0722 .4293 .5794 .5169 .2451 31 LEU 31 1.1349 -1.4036 999.9900 999.9900 -.6084 -.2924 -.0369 .2973 .1580 -.1233 32 LYS 32 .9451 -2.9005 999.9900 .3240 -.3378 -.3290 -1.7161 .5597 -.3885 -.4002 33 LYS 33 .3654 -1.4228 999.9900 -.4035 .3573 -.3014 .2902 .4476 .3820 -.1099 34 LYS 34 .0419 .0632 999.9900 -.4035 -.3378 -.2080 -1.1151 -.4858 -.7480 -.3772 35 LEU 35 .9913 .3419 999.9900 999.9900 .7139 .6824 -.4159 .0017 -.1723 .3266 36 GLU 36 .8733 -.2953 999.9900 -1.0323 -.7952 -.3124 -.3102 .5285 .1791 -.1719 37 LEU 37 .8475 .5315 999.9900 999.9900 .6258 .6683 .5082 .6213 .5742 .6269 38 VAL 38 -1.1682 999.9900 .4980 999.9900 .7810 .0369 .5674 .5523 .5586 .2461 39 VAL 39 -.2954 999.9900 -.2457 999.9900 .2505 -.0969 .0823 .6589 .4186 .0901 40 GLY 40 1.0529 999.9900 999.9900 999.9900 -.1733 .4398 -.1395 .6175 .2811 .3394 41 THR 41 -3.6133 999.9900 -.8810 999.9900 .4476 -1.3489 -1.2213 -.0305 -.5267 -1.0597 42 THR 42 -.4146 999.9900 .4804 999.9900 -1.6680 -.5341 -.1778 .5166 .2273 -.2527 43 VAL 43 .8065 999.9900 -.2457 999.9900 .4989 .3532 -.2264 .4434 .1643 .2553 44 ASP 44 .6201 -.7325 999.9900 999.9900 .6026 .1634 .3684 .6232 .5171 .2964 45 SER 45 .1093 999.9900 -.0289 999.9900 .8558 .3121 -.7961 .3744 -.1133 .1029 46 MET 46 -1.0204 -2.5481 999.9900 .9587 -1.9874 -1.1493 .1010 .3613 .2529 -.6892 47 ARG 47 -.6502 -1.1343 999.9900 1.4811 -1.7309 -.1107 .3745 .5530 .4787 .0535 48 ILE 48 .5210 -2.2551 999.9900 999.9900 -1.2029 -.9790 -.0574 .5899 .3202 -.4809 49 GLN 49 -.4424 -.7946 999.9900 1.3059 .6605 .1823 .1951 .0169 .0912 .1569 50 LEU 50 .1006 .3261 999.9900 999.9900 .4774 .3014 .2427 .5777 .4381 .3449 51 PHE 51 .0900 .1357 999.9900 999.9900 .7573 .3277 .3092 .5892 .4725 .3763 52 ASP 52 -1.2415 -1.7735 999.9900 999.9900 -.3974 -1.1375 -.0695 .5119 .2697 -.5940 53 GLY 53 .0328 999.9900 999.9900 999.9900 .9364 .4846 .5559 .4368 .4897 .4905 54 ASP 54 .2445 -2.4630 999.9900 999.9900 -.4783 -.8989 .3005 .6173 .4853 -.3558 55 ASP 55 -3.3417 -.5059 999.9900 999.9900 -.1266 -1.3247 -.5423 .0994 -.1680 -.8834 56 GLN 56 -.8581 -.4838 999.9900 1.3059 .6133 .1443 .2811 .3564 .3250 .2024 57 LEU 57 -.1836 .5315 999.9900 999.9900 .7753 .3744 -.0230 .6429 .3655 .3486 58 LYS 58 -.4760 -2.1617 999.9900 .2495 .2547 -.3768 -.0101 .3244 .1850 -.2242 59 GLY 59 -.5702 999.9900 999.9900 999.9900 .3466 -.1118 -.5862 .5929 .0689 -.0542 60 GLU 60 -.5863 .7809 999.9900 1.1588 -.6780 .1688 -.8514 .4539 -.0900 .0463 61 LEU 61 -3.7702 .8730 999.9900 999.9900 -.2242 -1.0405 -.0008 .2651 .1543 -.5714 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .1092 -1.6594 -.4727 -2.1751 -1.4658 -1.5252 63 ASP 63 -.1054 -2.0928 999.9900 999.9900 .6310 -.5224 -.6437 .2487 -.1232 -.3925 64 GLY 64 -.9159 999.9900 999.9900 999.9900 -.3452 -.6305 .2783 .6987 .5118 -.0710 65 ALA 65 -.1113 999.9900 999.9900 999.9900 .9520 .4204 .4376 .5380 .4962 .4541 66 LYS 66 -.6340 -.4196 999.9900 .6177 -.6710 -.0978 .1407 .2062 .1789 -.0203 67 SER 67 -.2386 999.9900 -.7153 999.9900 .1597 -.2647 -2.2771 .4637 -.6783 -.5215 68 LEU 68 .8475 .8710 999.9900 999.9900 .4504 .7230 .3987 .0991 .2239 .5333 69 LYS 69 1.0838 .7020 999.9900 .4411 -1.2036 .2929 .3621 .4578 .4179 .3263 70 ASP 70 .6201 -.6983 999.9900 999.9900 -1.5875 -.5552 .2290 .4634 .3657 -.1947 71 LEU 71 -.2213 .9108 999.9900 999.9900 .4774 .3890 .4697 .5534 .5185 .4380 72 GLY 72 .7683 999.9900 999.9900 999.9900 .7039 .7361 .4191 .6656 .5561 .6392 73 VAL 73 -1.9912 999.9900 -.5532 999.9900 -.6089 -1.0511 -.3187 .4731 .1432 -.5998 74 ARG 74 -2.2658 1.0644 999.9900 1.3169 .3956 .3656 .4087 .6570 .5536 .4134 75 ASP 75 -.2149 -.8657 999.9900 999.9900 .6310 -.1499 -1.6746 .1292 -.6224 -.3990 76 GLY 76 .9055 999.9900 999.9900 999.9900 .0351 .4703 .4862 .6444 .5741 .5178 77 TYR 77 -.1387 -.4024 999.9900 999.9900 -.1498 -.2303 -.0841 .4488 .2268 -.0653 78 ARG 78 -.4636 -.0419 999.9900 .6901 -1.7309 -.1713 -1.3987 -.8433 -1.0747 -.4426 79 ILE 79 .2768 -2.1272 999.9900 999.9900 .7362 -.3714 -1.9370 .4927 -.5197 -.5117 80 HIS 80 -.5879 .6357 999.9900 999.9900 -.1902 -.0475 -2.1634 .5691 -.5694 -.3473 81 ALA 81 -.7688 999.9900 999.9900 999.9900 -.0434 -.4061 -.2288 .4398 .1612 -.1503 82 VAL 82 .5686 999.9900 -1.0788 999.9900 -.1376 -.2159 -.9084 .4505 -.1157 -.2211 83 ASP 83 -.1054 -1.3712 999.9900 999.9900 .5431 -.3111 -1.4562 .3328 -.4126 -.4114 84 VAL 84 -.1540 999.9900 .7395 999.9900 .5258 .3704 .5186 .5213 .5202 .4303 85 THR 85 .7717 999.9900 -.2947 999.9900 .2056 .2275 .2247 .6455 .4702 .3106 86 GLY 86 -.2001 999.9900 999.9900 999.9900 .2782 .0390 .5668 .6956 .6383 .3351 87 GLY 87 -1.0699 999.9900 999.9900 999.9900 .7039 -.1830 .1206 .6566 .4184 .1028 88 ASN 88 -.1210 -1.0148 999.9900 999.9900 .4442 -.2306 .0773 .5372 .3456 -.0154 89 GLU 89 -2.8104 1.1195 999.9900 -1.0323 .0814 -.6605 .2351 .1738 .1994 -.3722 90 ASP 90 999.9900 -.7152 999.9900 999.9900 999.9900 -.7152 .5148 .5677 .5450 .1224 Means: -.2832 -.5379 -.3654 .3748 .0331 -.1625 -.3012 .3850 .0973 -.0792 2.00 refined_19