1 ASP 1 999.9900 -.2599 999.9900 999.9900 -1.0225 -.6412 .1984 .1791 .1879 -.2262 2 PRO 2 -1.7767 999.9900 999.9900 999.9900 -1.3105 -1.5436 .6261 .6207 .6229 -.4601 3 ASN 3 1.1117 .3778 999.9900 999.9900 -.1777 .4373 .5046 .6250 .5748 .4883 4 ALA 4 -1.7252 999.9900 999.9900 999.9900 -1.0083 -1.3667 -1.5831 .1790 -.5552 -1.0344 5 GLU 5 -3.2255 .8332 999.9900 -1.0323 .4526 -.7430 .0050 -1.1309 -.6576 -.6830 6 PHE 6 -3.6149 -.1636 999.9900 999.9900 .0736 -1.2349 -.1765 .5932 .2725 -.6576 7 ASP 7 -.1930 -1.2276 999.9900 999.9900 .5121 -.3028 .2318 .0560 .1293 -.1241 8 PRO 8 .0709 999.9900 999.9900 999.9900 .8563 .4636 .5293 .5119 .5192 .4921 9 ASP 9 -.2149 -.2599 999.9900 999.9900 -.1266 -.2005 .2763 .6629 .5018 .0676 10 LEU 10 -.4065 -2.3037 999.9900 999.9900 -.2242 -.9781 .0734 .2483 .1754 -.5226 11 PRO 11 -1.5515 999.9900 999.9900 999.9900 .6931 -.4292 .5612 .3005 .4091 .0008 12 GLY 12 1.0529 999.9900 999.9900 999.9900 .9364 .9947 -.0182 .5068 .2734 .6195 13 GLY 13 .9290 999.9900 999.9900 999.9900 -.9224 .0033 -.2080 .5491 .2126 .0869 14 GLY 14 .8169 999.9900 999.9900 999.9900 .7039 .7604 .3673 .6299 .5132 .6295 15 LEU 15 -1.1644 .8730 999.9900 999.9900 .3346 .0144 .0436 .6605 .4034 .1495 16 HIS 16 -1.0475 1.3372 999.9900 999.9900 .4328 .2408 -.0726 .4627 .2397 .2225 17 ARG 17 -.0990 .3495 999.9900 .1593 -.4506 .0237 .2440 .4592 .3695 .1174 18 CYS 18 .0411 999.9900 .1296 999.9900 .8268 .3325 .4795 .4555 .4655 .3865 19 LEU 19 .8786 -2.4128 999.9900 999.9900 .6486 -.2952 -.2986 .4763 .1534 -.1416 20 ALA 20 -.1113 999.9900 999.9900 999.9900 -.0105 -.0609 .6555 .4729 .5490 .2516 21 CYS 21 -.8048 999.9900 .1296 999.9900 -1.7809 -.8187 .5288 .0721 .2624 -.3711 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .4999 -.6126 .4720 .4522 .4604 -.0753 23 ARG 23 -.5733 1.0644 999.9900 .6901 -.5739 .2594 -.2379 .5660 .2310 .2322 24 TYR 24 -.0390 .2608 999.9900 999.9900 .7784 .3334 -.6360 .1416 -.1824 .1012 25 PHE 25 .0766 .5589 999.9900 999.9900 -1.2178 -.1941 .2411 .5897 .4445 .0497 26 ILE 26 .7069 .8778 999.9900 999.9900 -.8571 .2425 .1179 .3702 .2651 .2431 27 ASP 27 -.5058 -1.3328 999.9900 999.9900 .6587 -.3933 .3279 .3983 .3690 -.0907 28 SER 28 1.0911 999.9900 1.3441 999.9900 .6705 1.0352 .5450 .5947 .5740 .8491 29 THR 29 1.1372 999.9900 -.2947 999.9900 .5490 .4638 .3223 .5300 .4435 .4488 30 ASN 30 1.1272 -.2921 999.9900 999.9900 .7224 .5192 .3067 .5854 .4693 .4899 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .1315 -.7511 -.4952 -.1299 -.2821 -.5756 32 LYS 32 1.2214 .7568 999.9900 -.4035 -.4892 .1364 .3627 .5588 .4771 .2291 33 THR 33 .8748 999.9900 .2916 999.9900 -.3332 .2777 .3180 .5764 .4688 .3455 34 HIS 34 .4792 -.5551 999.9900 999.9900 -.1902 -.0887 .1791 .3915 .3030 .0609 35 PHE 35 -.6709 -.9508 999.9900 999.9900 -.0075 -.5430 .5102 -.0717 .1708 -.2381 36 ARG 36 -1.6049 1.1781 999.9900 .6901 -1.0907 -.0275 .2131 .3670 .3029 .0632 37 SER 37 -.7578 999.9900 -.7153 999.9900 -1.9795 -1.1509 .1862 .4785 .3567 -.5576 38 LYS 38 1.2214 .1550 999.9900 .2495 .1791 .4109 .6129 .4937 .5433 .4516 39 ASP 39 1.1285 -1.3328 999.9900 999.9900 .6026 .1328 -.0650 .6431 .3480 .1953 40 HIS 40 .8901 .1724 999.9900 999.9900 .5185 .5270 -1.5641 .6288 -.2849 .1291 41 LYS 41 .3654 1.0637 999.9900 .5368 -2.6618 -.0318 -.7437 -.0202 -.3216 -.1318 42 LYS 42 .9451 .3079 999.9900 .1731 .5062 .4211 .3106 .5576 .4547 .4248 43 ARG 43 .9556 .0043 999.9900 .1593 .2983 .3154 .3511 .5122 .4451 .3486 44 LEU 44 .6296 .8730 999.9900 999.9900 .9730 .8252 .0728 .5995 .3800 .6296 45 LYS 45 .9480 -.0150 999.9900 -.4035 .6340 .1520 .6107 .6532 .6355 .2891 46 GLN 46 .3572 1.1250 999.9900 1.3059 .2680 .7640 .2740 .6346 .4843 .6608 47 LEU 47 -.8032 -2.0611 999.9900 999.9900 -1.0998 -1.3213 .1617 .4439 .3263 -.6717 48 SER 48 -2.7213 999.9900 -.0289 999.9900 .3088 -.8138 .2496 .4967 .3938 -.3390 49 VAL 49 -4.3409 999.9900 .7395 999.9900 -.8010 -1.4675 .1418 -.1860 -.0494 -.8893 50 GLU 50 -1.1499 .6231 999.9900 -1.0323 .6899 -.2173 .4704 .3106 .3772 -.0147 51 PRO 51 -3.1574 999.9900 999.9900 999.9900 -1.3105 -2.2340 -.2477 .5760 .2328 -1.0349 52 TYR 52 -1.0108 .5297 999.9900 999.9900 -.2672 -.2494 .1507 .4177 .3065 -.0360 53 SER 53 .2875 999.9900 -.7153 999.9900 -.0193 -.1491 -.4743 .4186 .0466 -.1006 54 GLN 54 -.8581 -1.6169 999.9900 1.3059 -1.6155 -.6962 -.6495 -.5579 -.5961 -.6653 55 GLU 55 -2.5676 .6194 999.9900 -1.0323 .3899 -.6476 -.3323 -.6067 -.4924 -.5883 56 GLU 56 -3.2255 .6046 999.9900 -1.0323 -.7952 -1.1121 .5244 .5625 .5466 -.5603 57 ALA 57 .2107 999.9900 999.9900 999.9900 .6708 .4408 -4.9866 .2923 -1.9072 -.9532 58 GLU 58 -3.2255 .4305 999.9900 -1.0323 -.4821 -1.0774 -.9364 -.4106 -.6297 -.9427 59 ARG 59 -2.9267 -2.8571 999.9900 .5548 .5640 -.8220 .4579 .2129 .3150 -.4913 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 -.0434 -1.7540 -.0317 .1342 .0650 -.8514 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.2278 -1.8462 .1634 .6063 .4218 -.7307 62 GLY 62 -.9638 999.9900 999.9900 999.9900 .2782 -.3428 -.1159 .6278 .2973 -.0434 63 MET 63 -.3503 -.2135 999.9900 .9587 .8447 .3099 -.0804 .6388 .3391 .2997 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .2296 -1.6284 .0508 .6673 .3933 -.6347 65 SER 65 -2.5541 999.9900 .3727 999.9900 -.6377 -.9397 .1468 .3859 .2863 -.4573 66 TYR 66 -.1042 .2884 999.9900 999.9900 .5630 .2491 .2395 .1809 .2053 .2335 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .2202 .0804 .1403 -.2594 Means: -.6406 -.1455 .0158 .1150 -.0717 -.2320 .0088 .3550 .2100 -.0704 2.00 refined_12