1 ASP 1 999.9900 -1.5469 999.9900 999.9900 -.1878 -.8674 -1.1641 -2.0866 -1.6673 -1.2464 2 PRO 2 .3725 999.9900 999.9900 999.9900 .8563 .6144 .6212 .1028 .3188 .4882 3 ASN 3 -2.8943 -1.0148 999.9900 999.9900 .8079 -1.0338 -.0812 .1036 .0266 -.6158 4 ALA 4 -2.6726 999.9900 999.9900 999.9900 .1657 -1.2535 -.9129 .4954 -.0914 -.7311 5 GLU 5 -3.2255 .7809 999.9900 -1.0323 .2101 -.8167 -.1346 .5798 .2821 -.4703 6 PHE 6 -3.6149 -.5318 999.9900 999.9900 -.0075 -1.3847 .0678 .4420 .2861 -.7289 7 ASP 7 -.4836 -1.1646 999.9900 999.9900 .8104 -.2792 .5846 -.0378 .2215 -.0582 8 PRO 8 -1.8432 999.9900 999.9900 999.9900 -.1935 -1.0183 -.1655 .2816 .0953 -.4801 9 ASP 9 -.9091 -.7325 999.9900 999.9900 .2628 -.4596 .5183 .5046 .5103 -.0712 10 LEU 10 .0762 -1.4996 999.9900 999.9900 .6708 -.2508 .3201 -.0711 .0919 -.1007 11 PRO 11 -3.5209 999.9900 999.9900 999.9900 .7618 -1.3795 .6508 .1473 .3571 -.4902 12 GLY 12 .8874 999.9900 999.9900 999.9900 -.5578 .1648 .3932 .6150 .5164 .3344 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.4997 .1586 .6737 .5958 .6304 .3967 14 GLY 14 .8169 999.9900 999.9900 999.9900 -.8367 -.0099 .4388 .6722 .5685 .2728 15 LEU 15 -.5648 .8730 999.9900 999.9900 .5787 .2956 .2143 .5532 .4120 .3309 16 HIS 16 -.5879 .8438 999.9900 999.9900 .7352 .3304 -1.1138 .3849 -.2395 .0524 17 ARG 17 -.2757 -.1588 999.9900 .1593 -2.3710 -.4974 -1.5562 .5599 -.3218 -.4976 18 CYS 18 .0411 999.9900 .1296 999.9900 -.0920 .0263 .1533 .3762 .2833 .1217 19 LEU 19 1.1349 .8730 999.9900 999.9900 .9730 .9936 .5479 .6741 .6215 .8406 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .7881 .3392 .5960 .6052 .6014 .4699 21 CYS 21 -.8048 999.9900 .8629 999.9900 .5249 .1943 .6544 .2766 .4341 .3028 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.3130 -1.2612 .4796 .3999 .4331 -.4107 23 ARG 23 -.5614 1.0644 999.9900 .1593 -1.7309 -.1819 .2008 .6139 .4418 -.0135 24 TYR 24 -.0710 .3309 999.9900 999.9900 .9193 .3931 -.4023 .2250 -.0364 .2004 25 PHE 25 .0766 .5589 999.9900 999.9900 -.0075 .2093 .6076 .5053 .5479 .3482 26 ILE 26 1.0115 -3.0500 999.9900 999.9900 .9338 -.3682 .2335 .3229 .2857 -.1096 27 ASP 27 -1.2415 -.5059 999.9900 999.9900 .5431 -.4014 .3739 .5061 .4510 -.0648 28 SER 28 1.0911 999.9900 -.0289 999.9900 .5991 .5538 .3440 .5694 .4755 .5149 29 THR 29 1.2375 999.9900 -.2947 999.9900 .9813 .6413 .5966 .6225 .6117 .6286 30 ASN 30 1.0488 -.2921 999.9900 999.9900 -.1777 .1930 .0684 .5212 .3326 .2337 31 LEU 31 .9913 -3.3760 999.9900 999.9900 -.0758 -.8202 -.8231 .0608 -.3075 -.6446 32 LYS 32 1.0429 .8340 999.9900 .9953 -.2082 .7319 .5105 .4008 .4465 .6530 33 THR 33 .8748 999.9900 1.1473 999.9900 .6695 .8972 .5846 .5969 .5918 .7746 34 HIS 34 .9933 -.2881 999.9900 999.9900 .5967 .4340 .3574 .2902 .3182 .3899 35 PHE 35 -.9688 -.7766 999.9900 999.9900 -.0075 -.5843 .4320 -.0574 .1465 -.2757 36 ARG 36 -.6782 1.1781 999.9900 .7862 -1.0907 .1963 .4712 .0093 .2018 .2089 37 SER 37 -1.0753 999.9900 -.0289 999.9900 -.7427 -.6156 -.2929 .1818 -.0160 -.3916 38 LYS 38 1.2214 .0632 999.9900 -.4035 -.6710 -.0387 .2498 .4777 .3827 .0763 39 ASP 39 .8349 -.7325 999.9900 999.9900 .8104 .3043 -.2818 .5135 .1822 .2289 40 HIS 40 .6603 -.9211 999.9900 999.9900 .3381 .0257 -1.9953 .4349 -.5777 -.2966 41 LYS 41 .9480 .6560 999.9900 .4411 -2.0338 .0905 -.3282 .0595 -.1020 .0263 42 LYS 42 .9451 -.1469 999.9900 -.0770 .7669 .2822 .2638 .5194 .4129 .3135 43 ARG 43 .8469 -.5225 999.9900 .1593 .4407 .2168 .3341 .5577 .4645 .2822 44 LEU 44 .6509 -.8335 999.9900 999.9900 -.0758 -.0862 .1059 .5559 .3684 .0807 45 LYS 45 1.2214 .7020 999.9900 .2495 .6576 .6160 .5487 .6264 .5940 .6079 46 GLN 46 .3572 1.1250 999.9900 1.3059 .0346 .7057 .6568 .5908 .6183 .6784 47 LEU 47 -.3493 .5315 999.9900 999.9900 .9565 .3796 .5452 .5083 .5237 .4385 48 SER 48 -.7310 999.9900 -.7153 999.9900 .1597 -.4289 .3436 .5224 .4479 -.0841 49 VAL 49 .7260 999.9900 -.0276 999.9900 .8778 .5254 .6527 .6230 .6354 .5704 50 GLU 50 -.7635 -.6497 999.9900 -1.0323 .7127 -.4332 .5910 .4607 .5150 -.1135 51 PRO 51 .4197 999.9900 999.9900 999.9900 -.2912 .0643 .3034 .6284 .4930 .2651 52 TYR 52 -.1271 .2322 999.9900 999.9900 .7784 .2945 -.2393 .4016 .1346 .2092 53 SER 53 .2130 999.9900 -.0289 999.9900 .5215 .2352 -.9616 .5184 -.0983 .0525 54 GLN 54 -1.4685 .6816 999.9900 1.3059 -.4029 .0290 -.2090 .4011 .1469 .0514 55 GLU 55 -3.2255 .7809 999.9900 -1.0323 -1.2865 -1.1909 -.2280 .0612 -.0593 -.8217 56 GLU 56 -1.0962 1.2230 999.9900 -1.0323 -1.2865 -.5480 .1731 .5028 .3654 -.2527 57 ALA 57 -.8937 999.9900 999.9900 999.9900 .6390 -.1274 .3146 .4672 .4036 .1317 58 GLU 58 -1.4945 -.0067 999.9900 -1.0323 .4218 -.5279 .4360 .4719 .4570 -.2006 59 ARG 59 -2.5097 -2.3766 999.9900 .5548 .5247 -.6504 -.3208 .3399 .0646 -.4618 60 ALA 60 -2.4409 999.9900 999.9900 999.9900 .3365 -1.0522 -.5620 .5507 .0870 -.5289 61 ALA 61 -.2252 999.9900 999.9900 999.9900 .4617 .1182 .4584 .6801 .5877 .3437 62 GLY 62 -.6152 999.9900 999.9900 999.9900 .2782 -.1685 -.2920 .6340 .2225 .0013 63 MET 63 -2.6662 -1.5870 999.9900 .9587 -.3043 -.8997 .1253 .4436 .3110 -.5050 64 GLY 64 -2.1575 999.9900 999.9900 999.9900 .5429 -.8073 .4934 .6426 .5763 -.1197 65 SER 65 -3.7598 999.9900 .3727 999.9900 .9098 -.8257 .4223 .4819 .4571 -.3146 66 TYR 66 -3.6999 .4290 999.9900 999.9900 .7393 -.8439 -4.1612 .3374 -1.5370 -1.2711 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.2808 -.0538 -.1511 -.4711 Means: -.5381 -.2184 .0281 .1592 .1492 -.1389 .0301 .3834 .2354 -.0047 2.00 refined_14