1 ASP 1 999.9900 -2.4630 999.9900 999.9900 .5431 -.9599 .3880 .3652 .3756 -.2917 2 PRO 2 -.4724 999.9900 999.9900 999.9900 -.1935 -.3329 .4940 .5849 .5470 .1033 3 ASN 3 .1052 -.8859 999.9900 999.9900 -2.3288 -1.0365 .3408 .4339 .3951 -.4670 4 ALA 4 -1.7531 999.9900 999.9900 999.9900 -1.1070 -1.4301 -.6589 .1441 -.1905 -.8437 5 GLU 5 -.6642 .8034 999.9900 -1.0323 -.7952 -.4221 .0833 .0789 .0807 -.2544 6 PHE 6 -.1866 .5747 999.9900 999.9900 .5495 .3125 -1.0942 .5246 -.1499 .0736 7 ASP 7 -1.5723 -1.1646 999.9900 999.9900 .1786 -.8527 .2980 .4353 .3781 -.3650 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .7944 .3223 .4586 .5460 .5096 .4123 9 ASP 9 -.0867 -.2599 999.9900 999.9900 .5431 .0655 .3437 .6046 .4959 .2290 10 LEU 10 -.3855 .5280 999.9900 999.9900 .7949 .3125 .5299 .5089 .5177 .3952 11 PRO 11 -.2296 999.9900 999.9900 999.9900 .6931 .2317 .5100 .4897 .4982 .3658 12 GLY 12 .8874 999.9900 999.9900 999.9900 .7039 .7956 .2715 .5817 .4438 .6111 13 GLY 13 .9290 999.9900 999.9900 999.9900 -.5578 .1856 .5137 .5784 .5497 .3658 14 GLY 14 .8169 999.9900 999.9900 999.9900 -.0291 .3939 .5968 .6357 .6184 .5051 15 LEU 15 -.6830 .8730 999.9900 999.9900 .9565 .3822 .3954 .5949 .5118 .4274 16 HIS 16 -.6701 1.1761 999.9900 999.9900 -1.6368 -.3769 -.2800 .4406 .1404 -.1940 17 ARG 17 -.9010 -2.0954 999.9900 .5548 .4407 -.2892 .5273 .3944 .4498 -.0749 18 CYS 18 .0411 999.9900 .1296 999.9900 1.0610 .4106 .3774 .5314 .4673 .4281 19 LEU 19 .8475 .8730 999.9900 999.9900 .4227 .7144 .2261 .6361 .4653 .6011 20 ALA 20 -.1113 999.9900 999.9900 999.9900 -.0775 -.0944 .5910 .5816 .5855 .2459 21 CYS 21 -.8048 999.9900 .1296 999.9900 .0994 -.1919 .5207 .4747 .4939 .0839 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.1879 -1.1986 .5669 .3661 .4498 -.3660 23 ARG 23 -.6502 1.0644 999.9900 1.0005 -.0022 .4826 -.6376 .5606 .0613 .3337 24 TYR 24 -.0390 .4149 999.9900 999.9900 -.2672 .0362 -.9993 .0982 -.3591 -.1585 25 PHE 25 .0766 .5589 999.9900 999.9900 -1.2178 -.1941 .4572 .6326 .5595 .1015 26 ILE 26 -.9062 -2.2551 999.9900 999.9900 .4089 -.9175 -.0548 -.0561 -.0556 -.5727 27 ASP 27 -.7005 -.2599 999.9900 999.9900 .9215 -.0130 .3849 .5353 .4727 .1763 28 SER 28 .8760 999.9900 .6576 999.9900 .5740 .7025 .1595 .5230 .3715 .5580 29 THR 29 .9379 999.9900 -.8810 999.9900 -.2561 -.0664 .0771 .5285 .3404 .0813 30 ASN 30 1.1272 -3.3254 999.9900 999.9900 .5940 -.5347 .2012 .4355 .3379 -.1935 31 LEU 31 .9913 -2.3037 999.9900 999.9900 -.6084 -.6403 -.7153 -.0745 -.3415 -.5421 32 LYS 32 1.0429 .8340 999.9900 .1140 .2547 .4719 .4409 .6020 .5349 .4861 33 THR 33 .8748 999.9900 .8779 999.9900 .9813 .9113 .4230 .4929 .4638 .7300 34 HIS 34 .9933 .6357 999.9900 999.9900 .6686 .7659 .0465 -.0771 -.0256 .4534 35 PHE 35 -.2986 -.0015 999.9900 999.9900 .0736 -.0755 .4791 -.3243 .0105 -.0143 36 ARG 36 .2784 -2.8571 999.9900 .9503 .1299 -.1096 .3280 .1532 .2260 -.0096 37 SER 37 -1.6374 999.9900 .6576 999.9900 -.7427 -.5742 .2286 .5391 .4097 -.1910 38 LYS 38 .9480 .1550 999.9900 .8769 .5595 .6833 .5807 .5655 .5718 .6518 39 ASP 39 .8349 -.3515 999.9900 999.9900 .1337 .2057 .1454 .6146 .4191 .2754 40 HIS 40 .0007 -.7214 999.9900 999.9900 -1.6368 -.7858 -3.9018 .3396 -1.4277 -1.1839 41 LYS 41 .3654 .3467 999.9900 .4411 -2.6618 -.2135 -1.3726 -.8468 -1.0659 -.4695 42 LYS 42 1.0429 .3079 999.9900 1.3036 -.2082 .7500 .1470 .4797 .3411 .6252 43 ARG 43 .8469 -.5225 999.9900 .7862 .7064 .5206 .1092 .4992 .3367 .4588 44 LEU 44 .6509 -1.3405 999.9900 999.9900 .4227 -.0890 -.1401 .4502 .2042 .0086 45 LYS 45 .6751 -2.9005 999.9900 1.1681 .8827 .1987 .2633 .2937 .2810 .2215 46 GLN 46 1.2265 -.0698 999.9900 1.3059 -1.6155 .2118 .6374 .4771 .5439 .3269 47 LEU 47 -.2213 -.8335 999.9900 999.9900 .6926 -.1207 .4930 .5776 .5423 .1417 48 SER 48 -3.7598 999.9900 -.0289 999.9900 .5215 -1.0891 .3110 -.2557 -.0196 -.6424 49 VAL 49 -2.3041 999.9900 .4980 999.9900 .7810 -.3417 .3984 .4956 .4551 -.0262 50 GLU 50 -.8707 .6046 999.9900 1.1588 .3223 .3038 .5496 .4761 .5067 .3735 51 PRO 51 .0120 999.9900 999.9900 999.9900 .0500 .0310 .5080 .5737 .5463 .2859 52 TYR 52 -.3370 -.7841 999.9900 999.9900 .6556 -.1552 .1407 .5700 .3911 .0490 53 SER 53 -2.3021 999.9900 -.0289 999.9900 .9098 -.4737 -.1318 .5712 .2783 -.1963 54 GLN 54 -.5881 .6267 999.9900 1.3059 -2.2865 -.2355 .5170 .5003 .5073 .0126 55 GLU 55 -3.2255 .7809 999.9900 -1.0323 -1.8950 -1.3430 .3469 -.4054 -.0919 -.9051 56 GLU 56 1.0761 .4305 999.9900 .3501 -1.8950 -.0096 .4254 .1250 .2502 .0854 57 ALA 57 -.7791 999.9900 999.9900 999.9900 .2428 -.2682 .0332 -.0132 .0062 -.1291 58 GLU 58 -3.2255 .6687 999.9900 -1.0323 -2.5035 -1.5232 .4611 .0471 .2196 -.9307 59 ARG 59 -1.2223 -.1448 999.9900 .5548 .5640 .0613 .1605 -.4012 -.1672 .0094 60 ALA 60 .3637 999.9900 999.9900 999.9900 .8416 .6027 .1182 .6229 .4126 .4866 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 -.0105 -.8679 .4988 .5790 .5456 -.1645 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .5069 -1.4897 -.0341 .5587 .2952 -.6137 63 MET 63 -.5881 -.5441 999.9900 .9587 -.1136 -.0718 .2881 .6151 .4788 .1027 64 GLY 64 -2.2927 999.9900 999.9900 999.9900 .4101 -.9413 -.1176 .5476 .2520 -.3631 65 SER 65 -2.2020 999.9900 -.7153 999.9900 -.1819 -1.0331 .0009 .4110 .2401 -.5375 66 TYR 66 -.5013 .7421 999.9900 999.9900 -1.0119 -.2571 -.4886 .6042 .1489 -.1311 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.3076 -.0829 -.1792 -.4897 Means: -.3981 -.3191 .0198 .6244 -.0672 -.1218 .1118 .3668 .2600 .0187 2.00 refined_16