1 GLU 1 999.9900 -.3402 999.9900 -1.0323 1.0761 -.0988 .5731 .6570 .6189 .1867 2 ALA 2 -2.3529 999.9900 999.9900 999.9900 .5367 -.9081 .1053 .5469 .3629 -.2910 3 GLU 3 -.2789 -.3402 999.9900 1.1588 .2865 .2065 .0817 .5395 .3487 .2412 4 VAL 4 -1.8566 999.9900 1.0696 999.9900 .6959 -.0304 -1.1322 .2093 -.3496 -.2028 5 HIS 5 -2.5191 1.2411 999.9900 999.9900 -.3908 -.5562 .3763 -.3613 -.0540 -.3308 6 ASN 6 -1.8173 -.2921 999.9900 999.9900 -2.3288 -1.4794 .4497 .3572 .3958 -.7262 7 GLN 7 -1.9302 -.5355 999.9900 1.3059 .2680 -.2230 -.6013 -.0851 -.3002 -.2630 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .3942 -.9685 -.6000 -.1811 -.3557 -.7374 9 GLU 9 -.4497 -.2011 999.9900 -1.0323 1.0761 -.1518 -1.7610 .1785 -.6296 -.3649 10 ILE 10 .1962 .6227 999.9900 999.9900 -1.4322 -.2044 -.7683 .6457 .0565 -.1472 11 LYS 11 -.3038 -.2178 999.9900 .2868 -.3378 -.0572 -1.2080 -.0335 -.5229 -.2182 12 PHE 12 -.2457 .2875 999.9900 999.9900 .8629 .3016 -.1278 .5945 .2936 .2743 13 ARG 13 -.4439 .7037 999.9900 .1593 .7064 .2570 .1198 .4901 .3358 .2707 14 LEU 14 -.9403 .8730 999.9900 999.9900 -1.0998 -.3890 .4881 .3686 .4184 -.0621 15 THR 15 .1314 999.9900 -.8810 999.9900 .9813 .0772 .3264 .2011 .2533 .1518 16 ASP 16 .1806 -.5059 999.9900 999.9900 .6587 .1111 .4683 .0618 .2312 .1727 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .4883 .8011 -.3740 .6558 .1981 .4710 18 SER 18 -.4317 999.9900 .6576 999.9900 .5215 .2491 .0154 .5401 .3214 .2606 19 ASP 19 -.9954 -2.0928 999.9900 999.9900 .4469 -.8804 -.8038 .3134 -.1521 -.6263 20 ILE 20 -.4035 .6227 999.9900 999.9900 .4912 .2368 .4065 .3004 .3446 .2834 21 GLY 21 -1.3026 999.9900 999.9900 999.9900 -.9224 -1.1125 .5477 .4481 .4924 -.3073 22 PRO 22 .3744 999.9900 999.9900 999.9900 .7618 .5681 .0645 .2498 .1726 .3626 23 LYS 23 -.3414 1.1488 999.9900 .3240 -1.0384 .0834 -3.3408 .4245 -1.1444 -.3570 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7881 .0045 -.0006 .6762 .3942 .1711 25 PHE 25 -.4973 .5589 999.9900 999.9900 -.7419 -.2268 -.5526 .1804 -.1250 -.2105 26 PRO 26 .5449 999.9900 999.9900 999.9900 .6188 .5819 .3546 .5562 .4722 .5186 27 ASP 27 .6418 -.9304 999.9900 999.9900 .8336 .1817 -.0659 .5762 .3087 .2111 28 ALA 28 -.6970 999.9900 999.9900 999.9900 .4617 -.1177 .5084 .6206 .5739 .2234 29 THR 29 -.3748 999.9900 1.4642 999.9900 .2932 .4609 .5315 .4869 .5055 .4802 30 THR 30 -.4781 999.9900 .0483 999.9900 -.0562 -.1620 .5167 .4527 .4793 .0967 31 VAL 31 -.2793 999.9900 .3968 999.9900 -.3781 -.0869 .5697 .5946 .5842 .1807 32 SER 32 .9076 999.9900 -.7153 999.9900 .6705 .2876 .3448 .4082 .3818 .3232 33 ALA 33 .8001 999.9900 999.9900 999.9900 .2671 .5336 .6917 .6921 .6919 .6127 34 LEU 34 .9913 .3419 999.9900 999.9900 .7348 .6893 .0371 .1872 .1247 .4585 35 LYS 35 .8536 .8596 999.9900 .4411 -.4892 .4213 .6094 .6016 .6049 .4739 36 GLU 36 .6116 .6194 999.9900 .3501 -.1867 .3486 .6242 .6787 .6560 .4496 37 THR 37 1.1372 999.9900 .8779 999.9900 .5164 .8438 .3738 .6146 .5143 .7040 38 VAL 38 .8065 999.9900 -.0276 999.9900 .7394 .5061 .4373 .4442 .4413 .4800 39 ILE 39 .7069 .2838 999.9900 999.9900 .3195 .4367 .4896 .4495 .4662 .4499 40 SER 40 .8651 999.9900 .8786 999.9900 .3425 .6954 .4956 .6076 .5609 .6379 41 GLU 41 -.2127 .4305 999.9900 -1.0323 .4218 -.0982 .3428 .6610 .5284 .1018 42 TRP 42 .0151 -1.6686 999.9900 999.9900 .4467 -.4022 .5031 .2138 .3344 -.0980 43 PRO 43 -1.0642 999.9900 999.9900 999.9900 -1.3105 -1.1874 .4244 .4538 .4416 -.3741 44 ARG 44 1.1353 .8024 999.9900 .1593 .7064 .5925 .6072 .4827 .5346 .5789 45 GLU 45 .4426 .7809 999.9900 -1.0323 .0814 .0681 .5525 .6453 .6066 .2450 46 LYS 46 -2.2985 -.3256 999.9900 1.0544 -.4103 -.1851 -.3562 .2343 -.0118 -.1497 47 GLU 47 -2.5676 1.1195 999.9900 .3501 -2.5035 -.9004 -.5438 -.1796 -.3313 -.7208 48 ASN 48 -1.1452 1.0524 999.9900 999.9900 .0387 -.0180 -1.6565 -.3748 -.9088 -.4171 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 -.2133 -1.8498 -.4966 .2744 -.0683 -.9805 50 PRO 50 -1.9661 999.9900 999.9900 999.9900 -.1050 -1.0356 -.0121 .4805 .2753 -.4007 51 LYS 51 -2.4227 .8571 999.9900 .3546 -2.6618 -.7036 -.1632 -.3358 -.2639 -.5739 52 THR 52 -.1608 999.9900 -.8810 999.9900 -2.7258 -1.2559 .3872 .0774 .2064 -.6606 53 VAL 53 -.1888 999.9900 -1.0788 999.9900 -.5257 -.5977 .1549 -.1666 -.0327 -.3610 54 LYS 54 -.0957 .2165 999.9900 1.0897 -1.2036 .2193 .4645 .6059 .5469 .3096 55 GLU 55 -.6726 -1.3804 999.9900 -1.0323 -.5746 -.9150 .4557 .6173 .5499 -.4312 56 VAL 56 -.0346 999.9900 -1.0788 999.9900 .2853 -.2760 .1927 .5368 .3934 -.0197 57 LYS 57 -.2075 1.1488 999.9900 .5368 -.3378 .3354 .3463 .5696 .4766 .3704 58 LEU 58 -.0536 -2.3037 999.9900 999.9900 .2381 -.7064 -.0012 .2235 .1299 -.3794 59 ILE 59 .1962 .6227 999.9900 999.9900 .4912 .4367 -.0356 .6424 .3599 .3834 60 SER 60 -.4961 999.9900 -.7153 999.9900 .8558 -.1186 .2345 .3974 .3295 .0553 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .5367 -.8363 .5537 .4435 .4894 -.1689 62 GLY 62 .7683 999.9900 999.9900 999.9900 .5429 .6556 .5467 .6239 .5896 .6204 63 LYS 63 -.1765 -1.9682 999.9900 -.0770 -.4892 -.5576 -.1955 .5313 .2285 -.3503 64 VAL 64 -.2674 999.9900 .5873 999.9900 -1.0415 -.2405 -.0264 .5158 .2899 -.0464 65 LEU 65 -.3855 -1.4996 999.9900 999.9900 .2381 -.5490 -.1120 .3602 .1635 -.2797 66 GLU 66 -.2789 .7809 999.9900 -1.0323 -.7952 -.3314 .2539 -.1076 .0430 -.1965 67 ASN 67 .6639 -2.0766 999.9900 999.9900 -.2632 -.5586 .4090 .5016 .4630 -.1531 68 SER 68 .4533 999.9900 .3727 999.9900 .3749 .4003 .0613 .5258 .3323 .3576 69 LYS 69 -.8956 .0381 999.9900 .3240 .7460 .1073 -.6964 .5713 .0431 .0588 70 THR 70 -.6884 999.9900 .0483 999.9900 -.1184 -.2528 -.0812 .3777 .1865 -.0924 71 VAL 71 -.2252 999.9900 .7395 999.9900 .6734 .3959 .5090 .4469 .4728 .4287 72 LYS 72 .7090 -.7632 999.9900 .8261 .8827 .4961 .5587 -.0657 .1945 .4248 73 ASP 73 1.1285 -.2599 999.9900 999.9900 .6587 .5091 .5649 .5308 .5450 .5246 74 TYR 74 -.4317 .8463 999.9900 999.9900 .9193 .4446 .2815 .6670 .5064 .4565 75 ARG 75 -.3457 -.2334 999.9900 1.0856 .8581 .4900 -1.0902 .1971 -.3393 .2224 76 SER 76 -.3484 999.9900 -.7153 999.9900 -.0193 -.3610 .2368 .1879 .2082 -.1317 77 PRO 77 -2.2783 999.9900 999.9900 999.9900 .2426 -1.0179 -.4761 .2203 -.0698 -.5729 78 VAL 78 -1.4748 999.9900 -.2457 999.9900 .6503 -.3567 .5296 .4512 .4839 -.0179 79 SER 79 -1.8983 999.9900 -.7153 999.9900 -.9994 -1.2043 -.3297 .1983 -.0217 -.7489 80 ASN 80 -.7402 .1235 999.9900 999.9900 .1585 -.1527 -.0526 -.4600 -.2903 -.1942 81 LEU 81 -.4282 .8710 999.9900 999.9900 .5787 .3405 -4.6099 .4362 -1.6663 -.6304 82 ALA 82 -1.9568 999.9900 999.9900 999.9900 .3801 -.7884 -1.0117 .3396 -.2234 -.5622 83 GLY 83 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 -2.0412 .4322 -.6671 -.7784 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .6550 -.1871 -1.1854 .5172 -.1922 -.2606 85 VAL 85 -.2674 999.9900 .7395 999.9900 .7394 .4039 -1.9411 .3764 -.5892 -.0706 86 THR 86 -.0475 999.9900 .4804 999.9900 .5490 .3273 -.4652 .1865 -.0850 .1406 87 THR 87 .1937 999.9900 .8779 999.9900 .3342 .4686 -.2237 .5585 .2326 .3481 88 MET 88 -.3657 -2.5481 999.9900 .9587 .3104 -.4112 -.0823 .5717 .2992 -.1925 89 HIS 89 -.5132 1.0771 999.9900 999.9900 .5967 .3869 -1.0618 .5227 -.1375 .1243 90 VAL 90 .2313 999.9900 .4980 999.9900 .7810 .5035 -1.6704 .4183 -.4520 .0517 91 ILE 91 -.0022 -.3653 999.9900 999.9900 -1.2029 -.5235 -1.7865 .1840 -.6370 -.6346 92 ILE 92 .1597 -.0177 999.9900 999.9900 -1.7278 -.5286 -.3670 .4909 .1334 -.2924 93 GLN 93 -1.0647 1.1250 999.9900 1.3059 .1188 .3712 -.5639 .3949 -.0046 .2193 94 ALA 94 -.8937 999.9900 999.9900 999.9900 -1.1070 -1.0004 .5273 .5570 .5446 -.2291 95 PRO 95 .1313 999.9900 999.9900 999.9900 .6931 .4122 .5079 .5779 .5487 .4775 96 VAL 96 -2.6451 999.9900 .8055 999.9900 .8960 -.3145 .3116 .5690 .4618 -.0126 97 THR 97 -1.8338 999.9900 -.8810 999.9900 .1092 -.8685 -.4244 .4842 .1056 -.5091 98 GLU 98 -1.0162 .7809 999.9900 -1.0323 .7127 -.1387 -.1766 .4839 .2087 -.0413 99 LYS 99 -3.5196 -.2695 999.9900 .1140 -1.2036 -.9529 -.0888 -.0190 -.0481 -.6961 100 GLU 100 -2.0601 -2.8418 999.9900 -1.0323 -1.0906 -1.7562 -.5137 -.3627 -.4256 -1.3169 101 LYS 101 999.9900 -2.4344 999.9900 1.2852 999.9900 .0453 -1.2173 -.9255 -1.0506 -.4014 Means: -.5273 -.1628 .0965 .2977 .0410 -.1272 -.1518 .3548 .1430 -.0414 2.00 refined_16