1 ASP 1 999.9900 -.2599 999.9900 999.9900 -.7687 -.5143 .5041 .3886 .4411 -.0340 2 PRO 2 -3.2630 999.9900 999.9900 999.9900 -.5244 -1.8937 .3888 .6383 .5344 -.6901 3 ASN 3 1.1678 -1.2512 999.9900 999.9900 .8607 .2591 .5943 .5195 .5507 .3782 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .4999 -1.4823 .4446 .2388 .3245 -.5703 5 GLU 5 -.1289 -.2011 999.9900 -1.0323 .4218 -.2351 -.0022 .5208 .3029 -.0703 6 PHE 6 -1.5618 -.4187 999.9900 999.9900 .0736 -.6356 .2073 .4516 .3498 -.2496 7 ASP 7 -.0565 -1.1646 999.9900 999.9900 .1786 -.3475 .6183 .2167 .3840 -.0415 8 PRO 8 -.5342 999.9900 999.9900 999.9900 .9143 .1900 .3257 .4592 .4036 .2912 9 ASP 9 -.0867 -.5059 999.9900 999.9900 .8336 .0803 .4095 .6055 .5238 .2512 10 LEU 10 -.2022 -1.1684 999.9900 999.9900 .9730 -.1325 .4597 .4404 .4484 .1005 11 PRO 11 -2.2783 999.9900 999.9900 999.9900 .7281 -.7751 .6484 .3393 .4681 -.1406 12 GLY 12 .8874 999.9900 999.9900 999.9900 -.0631 .4122 .5744 .6324 .6066 .5078 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.4997 .1586 .5805 .5983 .5904 .3740 14 GLY 14 1.0314 999.9900 999.9900 999.9900 -.7584 .1365 .4795 .6765 .5889 .3572 15 LEU 15 -.4552 .8730 999.9900 999.9900 .6926 .3701 .0195 .4983 .2988 .3256 16 HIS 16 -1.2838 .8438 999.9900 999.9900 .5967 .0522 -.6565 .3490 -.0699 -.0302 17 ARG 17 -.1504 -.4122 999.9900 .7862 -2.3710 -.2722 -1.1985 .3449 -.2982 -.3164 18 CYS 18 .0411 999.9900 .1296 999.9900 -.0920 .0263 .2717 .3311 .3063 .1363 19 LEU 19 1.1349 .8730 999.9900 999.9900 .6258 .8779 .5021 .6723 .6014 .7616 20 ALA 20 .3573 999.9900 999.9900 999.9900 .6550 .5062 .6563 .6388 .6461 .5769 21 CYS 21 -.8048 999.9900 .1296 999.9900 -.0920 -.2557 .5450 .3089 .4072 .0173 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 .6550 -.7771 .4354 .4050 .4177 -.1784 23 ARG 23 -.5614 .8949 999.9900 .1593 -.2445 .0815 -.3322 .3923 .0905 .0668 24 TYR 24 -.0390 .8258 999.9900 999.9900 -.1498 .2123 -1.2197 .4026 -.2734 -.0360 25 PHE 25 .0629 .5589 999.9900 999.9900 -.0075 .2048 .3708 .5997 .5043 .3170 26 ILE 26 1.0115 -.1544 999.9900 999.9900 .4912 .4494 .3805 .4870 .4427 .4432 27 ASP 27 -.9954 -2.8653 999.9900 999.9900 .0868 -1.2580 .3485 .4729 .4211 -.5905 28 SER 28 .8651 999.9900 .8786 999.9900 .5215 .7551 .3970 .4820 .4466 .6288 29 THR 29 1.1372 999.9900 .2916 999.9900 .4826 .6371 .6407 .6802 .6638 .6465 30 ASN 30 1.3908 -.4258 999.9900 999.9900 -.1777 .2625 .2318 .5890 .4401 .3216 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .0933 -.7638 -.4961 .1651 -.1104 -.5245 32 LYS 32 .9480 1.1488 999.9900 .6906 -.5755 .5805 .5046 .3566 .4183 .5377 33 THR 33 .8748 999.9900 .9776 999.9900 .1092 .6539 .2289 .5480 .4150 .5477 34 HIS 34 .9933 -.2881 999.9900 999.9900 .5967 .4340 .1081 .2244 .1759 .3269 35 PHE 35 -.9688 -.0015 999.9900 999.9900 .2172 -.2510 .5716 .1156 .3056 -.0132 36 ARG 36 -.8609 .3075 999.9900 1.0005 -1.0907 .0714 .3798 .5130 .4575 .1785 37 SER 37 -1.1635 999.9900 -.0289 999.9900 -.4586 -.5503 -.0283 .3486 .1915 -.2662 38 LYS 38 .7090 -.4196 999.9900 .4996 .6340 .3845 .5185 .4404 .4730 .4116 39 ASP 39 1.1285 -2.4630 999.9900 999.9900 .3772 -.3191 -.0563 .4944 .2650 -.1038 40 HIS 40 .0007 -1.3248 999.9900 999.9900 .3381 -.3287 -1.5989 .6550 -.2841 -.3860 41 LYS 41 .9480 1.1488 999.9900 .4411 -1.6664 .2626 -.2564 .4001 .1266 .2081 42 LYS 42 .9451 -.4196 999.9900 1.2950 -.3378 .5555 .5446 .4948 .5155 .5453 43 ARG 43 .8469 -.7463 999.9900 .6901 .5640 .4090 .5801 .6524 .6223 .4682 44 LEU 44 .8475 -.8335 999.9900 999.9900 -.0758 -.0206 .0839 .6232 .3985 .1291 45 LYS 45 .3654 1.0637 999.9900 .1731 -.3378 .2875 .5991 .5716 .5831 .3726 46 GLN 46 .9013 .8911 999.9900 1.3059 -.0576 .7602 .6791 .5090 .5799 .7048 47 LEU 47 .6509 -1.0719 999.9900 999.9900 .7348 .1046 .5311 .0233 .2349 .1736 48 SER 48 -3.7598 999.9900 -.7153 999.9900 .9098 -1.1884 .3659 -.2225 .0226 -.6844 49 VAL 49 .7260 999.9900 -.2457 999.9900 -1.5772 -.3656 -.0877 .3970 .1951 -.1575 50 GLU 50 -.6163 -.2011 999.9900 -1.0323 -.4821 -.5829 .3703 -.2131 .0300 -.3624 51 PRO 51 -.0828 999.9900 999.9900 999.9900 .5793 .2483 .3692 .2762 .3149 .2855 52 TYR 52 -3.6999 .8258 999.9900 999.9900 .8517 -.6741 .3678 .2720 .3119 -.2765 53 SER 53 -.8144 999.9900 -.7153 999.9900 -1.1621 -.8973 -1.7581 .4732 -.4565 -.7953 54 GLN 54 1.2265 -1.0871 999.9900 1.3059 .6605 .5264 -3.1375 -.3249 -1.4968 -.2261 55 GLU 55 -2.0601 -.4224 999.9900 -1.0323 .6424 -.7181 .1591 -.5063 -.2290 -.5366 56 GLU 56 -3.2255 -.2267 999.9900 .3501 .6424 -.6149 .5439 -.3018 .0506 -.3696 57 ALA 57 -1.8459 999.9900 999.9900 999.9900 -.4068 -1.1264 .3428 .6941 .5477 -.3040 58 GLU 58 -1.9801 .8793 999.9900 -1.0323 .2491 -.4710 .4599 .1748 .2936 -.2082 59 ARG 59 -2.2658 -.5225 999.9900 .1593 .4407 -.4058 .4784 .1791 .3038 -.1959 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .4617 -1.5015 .5026 .4180 .4533 -.5206 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .0075 -.1223 -.0682 -.7084 62 GLY 62 -2.2927 999.9900 999.9900 999.9900 .6890 -.8018 -.4074 .6732 .1929 -.3345 63 MET 63 -1.1708 .8879 999.9900 .9587 .8447 .3801 .2481 .5731 .4377 .3903 64 GLY 64 -1.4779 999.9900 999.9900 999.9900 .4101 -.5339 .4967 .4735 .4838 -.0244 65 SER 65 -3.7598 999.9900 -.0289 999.9900 .1597 -1.2096 .4968 .3003 .3822 -.5664 66 TYR 66 -2.5417 .2884 999.9900 999.9900 .8158 -.4792 -3.3690 .0873 -1.3528 -.9438 67 VAL 67 999.9900 999.9900 .4980 999.9900 999.9900 .4980 .1091 .0547 .0780 .2206 Means: -.5628 -.2420 .1065 .4136 .1376 -.1169 .1020 .3680 .2566 .0211 2.00 refined_1