1 ASP 1 999.9900 -.7325 999.9900 999.9900 .0868 -.3229 .5253 .2666 .3842 .0366 2 PRO 2 .4011 999.9900 999.9900 999.9900 .5793 .4902 .5921 .2207 .3755 .4483 3 ASN 3 -2.0408 -.5828 999.9900 999.9900 .3587 -.7550 .5491 .0168 .2386 -.3398 4 ALA 4 -.9755 999.9900 999.9900 999.9900 .3801 -.2977 -2.4466 .1496 -.9322 -.7231 5 GLU 5 -1.0629 -.4584 999.9900 .3501 .6899 -.1203 -.3742 .3434 .0444 -.0854 6 PHE 6 -.4296 -.6014 999.9900 999.9900 -.3041 -.4450 -.4684 .5130 .1041 -.2581 7 ASP 7 -.3017 -.7325 999.9900 999.9900 .5431 -.1637 .3969 .0436 .1908 -.0101 8 PRO 8 -.8358 999.9900 999.9900 999.9900 .4021 -.2169 .4441 .4872 .4693 .1244 9 ASP 9 .3915 -.5059 999.9900 999.9900 -.7687 -.2944 .3275 .4947 .4250 -.0122 10 LEU 10 -.8349 -1.6805 999.9900 999.9900 -3.2047 -1.9067 .2832 .3325 .3120 -1.0209 11 PRO 11 .0235 999.9900 999.9900 999.9900 .4496 .2366 -.4045 -.0654 -.2067 .0008 12 GLY 12 -1.5840 999.9900 999.9900 999.9900 -.2990 -.9415 .0076 .5955 .3342 -.3200 13 GLY 13 .3568 999.9900 999.9900 999.9900 -2.3699 -1.0065 -.0816 .5115 .2479 -.3958 14 GLY 14 .5072 999.9900 999.9900 999.9900 -.7584 -.1256 .5072 .6846 .6058 .2351 15 LEU 15 -1.4020 .8730 999.9900 999.9900 -1.2350 -.5880 .1081 .6112 .4016 -.2089 16 HIS 16 -.9209 1.1761 999.9900 999.9900 .5967 .2839 -1.2146 .5064 -.2107 .0287 17 ARG 17 -1.3837 -1.0788 999.9900 .7862 .7064 -.0368 -.0452 .3742 .1994 .0207 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 .0088 .4903 .2897 .0687 19 LEU 19 .8475 .8730 999.9900 999.9900 .9730 .8978 .4445 .6830 .5836 .7642 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .6550 .2719 .6529 .6012 .6227 .4495 21 CYS 21 -.8048 999.9900 .8629 999.9900 .5249 .1943 .4447 .2414 .3261 .2538 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .1657 -.7798 .3217 .3226 .3222 -.2288 23 ARG 23 -.5614 .8024 999.9900 .7862 -1.7309 .0165 -.5419 .5107 .0721 .0073 24 TYR 24 .0406 .2608 999.9900 999.9900 .5630 .2881 -1.5048 .1585 -.5345 -.0964 25 PHE 25 .0900 .5589 999.9900 999.9900 -1.2178 -.1896 .0030 .4007 .2350 -.0330 26 ILE 26 -.0495 .6227 999.9900 999.9900 -2.1444 -.5237 -.7846 .5099 -.0295 -.3692 27 ASP 27 -.8891 -1.1062 999.9900 999.9900 .5431 -.4840 .1108 .4368 .3010 -.1809 28 SER 28 .5661 999.9900 .3727 999.9900 -.0193 .3065 .1647 .4799 .3486 .3128 29 THR 29 1.2375 999.9900 .6346 999.9900 .5490 .8070 .2858 .5361 .4318 .6486 30 ASN 30 1.1272 .3924 999.9900 999.9900 .5940 .7046 -.0440 .5182 .2840 .5176 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .4227 -.6540 -.4862 -.1248 -.2754 -.5146 32 LYS 32 1.0429 .8340 999.9900 .4996 .5595 .6871 .4961 .6067 .5606 .6483 33 THR 33 .8748 999.9900 1.0667 999.9900 .4476 .7964 .5648 .5832 .5755 .7074 34 HIS 34 .9933 -.2881 999.9900 999.9900 .5967 .4340 .1891 .1673 .1764 .3317 35 PHE 35 -.3794 -.5318 999.9900 999.9900 1.0159 .0349 .6036 -.2582 .1009 .0900 36 ARG 36 -.8609 1.0644 999.9900 .7862 -2.3710 -.1190 .4023 .5145 .4677 .0459 37 SER 37 -1.9635 999.9900 -.7153 999.9900 .2374 -.8138 -.3398 .4214 .1042 -.4720 38 LYS 38 1.0429 .8340 999.9900 .5131 .5595 .6926 .5065 .3506 .4156 .6171 39 ASP 39 .8349 -.2599 999.9900 999.9900 .5121 .3624 .2819 .5256 .4240 .3789 40 HIS 40 .6603 -.8163 999.9900 999.9900 -1.6368 -.5976 -1.8272 .5418 -.4453 -.6156 41 LYS 41 .6780 1.0637 999.9900 -.0397 -1.6664 -.0008 -1.0182 .3444 -.2234 -.0969 42 LYS 42 .9451 .3079 999.9900 .6133 -.4103 .4139 .6096 .4698 .5281 .4498 43 ARG 43 .8469 -2.8571 999.9900 .1593 -.0022 -.3388 .4312 .1673 .2773 -.1565 44 LEU 44 .6509 -.8335 999.9900 999.9900 -.2790 -.1539 .6003 .6491 .6288 .1576 45 LYS 45 1.2214 1.1488 999.9900 .1140 .6340 .6465 .6098 .5564 .5787 .6284 46 GLN 46 .7370 .2375 999.9900 1.3059 .0346 .5788 .5181 .6794 .6122 .5854 47 LEU 47 -.2213 .8847 999.9900 999.9900 .7949 .4861 -.0935 .6217 .3237 .3973 48 SER 48 -.0633 999.9900 -.0289 999.9900 .5740 .1606 .2910 .5572 .4463 .2660 49 VAL 49 .9834 999.9900 .3968 999.9900 -.6089 .2571 .4682 .5907 .5397 .3660 50 GLU 50 -1.4621 1.1195 999.9900 -1.0323 -1.0906 -.6164 .2298 .4487 .3575 -.2978 51 PRO 51 -1.4133 999.9900 999.9900 999.9900 .1187 -.6473 -.1571 .4778 .2133 -.2435 52 TYR 52 -.0390 -.5727 999.9900 999.9900 -.5629 -.3916 -.0727 .3120 .1517 -.1871 53 SER 53 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .1524 .2794 .2265 -.6746 54 GLN 54 -3.1236 .6267 999.9900 1.3059 .5636 -.1569 -.0664 .0748 .0159 -.1032 55 GLU 55 -1.3222 -.8169 999.9900 -1.0323 -.1261 -.8244 .2577 -.0780 .0618 -.5196 56 GLU 56 .1885 -2.3808 999.9900 -1.0323 .2865 -.7345 .1980 .0379 .1046 -.4504 57 ALA 57 -2.0946 999.9900 999.9900 999.9900 .2428 -.9259 -.2706 .6040 .2396 -.3796 58 GLU 58 -.6642 1.1195 999.9900 -1.0323 .0339 -.1358 .4119 .5028 .4650 .0619 59 ARG 59 -2.9267 .8024 999.9900 .1593 .7064 -.2199 .6449 .2927 .4395 -.0231 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .4419 -1.5113 .3504 -.0498 .1170 -.6805 61 ALA 61 .8001 999.9900 999.9900 999.9900 .3801 .5901 .0818 .6016 .3850 .4659 62 GLY 62 -.6797 999.9900 999.9900 999.9900 .6890 .0046 -.7480 .6311 .0181 -.0269 63 MET 63 -.9774 -2.5481 999.9900 .9587 .9122 -.4137 -.0945 .5264 .2677 -.2038 64 GLY 64 -2.9723 999.9900 999.9900 999.9900 .2296 -1.3713 -.2203 .6111 .2416 -.5879 65 SER 65 -.4771 999.9900 .3727 999.9900 .7982 .2313 .3199 .4402 .3901 .2908 66 TYR 66 -3.6999 .6919 999.9900 999.9900 .2769 -.9104 .3929 .2515 .3104 -.4173 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.0391 -.1380 -.0956 -.4186 Means: -.4516 -.1577 .1180 .3052 -.0157 -.1280 .0392 .3834 .2392 .0035 2.00 refined_4