1 MET 1 999.9900 -.2135 999.9900 .9587 .0476 .2643 .3943 .6605 .5395 .3695 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .4999 -1.4823 .0366 .1876 .1247 -.6851 3 ASP 3 -.3915 -.5059 999.9900 999.9900 .5121 -.1284 .4678 .5237 .5004 .1212 4 THR 4 .8449 999.9900 1.0667 999.9900 .9813 .9643 .3865 .5567 .4858 .7672 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 .7185 -.7195 -.9312 .1307 -.3413 -.5599 6 GLU 6 -3.2255 .6046 999.9900 -1.0323 -1.0906 -1.1859 .0821 -.0421 .0097 -.7840 7 VAL 7 .4158 999.9900 -.2457 999.9900 -2.9040 -.9113 -.4357 .3779 .0389 -.5584 8 GLN 8 -.3535 -1.6169 999.9900 1.3059 -.0576 -.1805 -1.2431 .4506 -.2551 -.2524 9 PHE 9 .0766 .3192 999.9900 999.9900 .1482 .1813 .2853 .1068 .1812 .1872 10 MET 10 -.3815 -1.7864 999.9900 .9587 -.1136 -.3307 .4456 .3051 .3637 -.0953 11 LYS 11 -.5771 -.4366 999.9900 .3240 -2.6618 -.6055 .4933 .1637 .3010 -.3386 12 PRO 12 -.7236 999.9900 999.9900 999.9900 .8563 .0663 -.1105 .3803 .1758 .1006 13 PHE 13 .0900 -.1460 999.9900 999.9900 .5495 .1645 -.1738 .4608 .1964 .1561 14 ILE 14 .1597 -3.0500 999.9900 999.9900 -2.8566 -1.9156 -.0804 .3793 .1877 -1.0896 15 SER 15 .5661 999.9900 .3727 999.9900 .6235 .5208 .2126 .4507 .3515 .4451 16 GLU 16 1.0761 .7809 999.9900 -1.0323 .1264 .2378 .5912 .3752 .4652 .3196 17 LYS 17 -1.4779 -1.6955 999.9900 .5368 -2.0338 -.8267 .3058 -.2589 -.0236 -.5838 18 SER 18 .1386 999.9900 -.7153 999.9900 -1.1621 -.5796 .1871 .5549 .4017 -.1993 19 SER 19 .6980 999.9900 1.0592 999.9900 .1597 .6390 .2454 .4697 .3762 .5264 20 LYS 20 -3.5196 .3679 999.9900 .4411 -2.0338 -.8606 .5220 .5605 .5444 -.4601 21 SER 21 -.0420 999.9900 .3727 999.9900 .7151 .3486 .5808 .4845 .5247 .4222 22 LEU 22 -1.6261 -2.3037 999.9900 999.9900 .3648 -1.1883 -.1199 .1790 .0545 -.7012 23 GLU 23 -.3890 -1.6501 999.9900 -1.0323 .2865 -.6962 -.2000 .1755 .0190 -.4682 24 ILE 24 .2593 .2838 999.9900 999.9900 1.0081 .5171 .3299 .2916 .3076 .4346 25 PRO 25 .1514 999.9900 999.9900 999.9900 .6931 .4222 .4923 .3936 .4347 .4326 26 LEU 26 .8475 -1.4036 999.9900 999.9900 .4227 -.0445 .2596 .1050 .1694 .0462 27 GLY 27 1.0801 999.9900 999.9900 999.9900 .7883 .9342 .6336 .6469 .6410 .7872 28 PHE 28 -.0970 .3244 999.9900 999.9900 -1.2178 -.3302 .6517 .5110 .5696 .0344 29 ASN 29 1.3908 .2165 999.9900 999.9900 .4024 .6699 .6814 .4658 .5557 .6314 30 GLU 30 -.2702 .8793 999.9900 -1.0323 .3899 -.0083 .6043 .6352 .6223 .2010 31 TYR 31 .3338 .2884 999.9900 999.9900 .5127 .3783 .3176 .5932 .4784 .4091 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -.3041 -1.6232 -.2330 .1746 .0047 -.9856 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .0500 -.3368 -1.3152 .1903 -.4370 -.4496 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.0083 -.7258 .4460 .0832 .2344 -.2306 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.4005 .0722 .3527 .3704 .3630 .2169 36 PHE 36 -.5560 -.2091 999.9900 999.9900 .0736 -.2305 -.2967 .5036 .1701 -.0969 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .8563 .3076 -.9015 .5744 -.0405 .0720 38 ILE 38 -.2490 -.0177 999.9900 999.9900 .7045 .1459 .0455 .5721 .3527 .2111 39 THR 39 -.5707 999.9900 .0483 999.9900 .1092 -.1377 .0740 .3564 .2387 .0034 40 VAL 40 -.0523 999.9900 -.5532 999.9900 .7394 .0447 -.1700 .3686 .1442 .0665 41 ASP 41 -.5526 -.9533 999.9900 999.9900 .1337 -.4574 -.6252 .4005 -.0268 -.3194 42 LEU 42 -.0536 .8730 999.9900 999.9900 .6486 .4893 -2.3421 .4159 -.7332 -.0916 43 LEU 43 -.6830 .8730 999.9900 999.9900 .6486 .2795 -2.8756 .6179 -.8377 -.2838 44 ASP 44 -.6569 -1.7105 999.9900 999.9900 -.2530 -.8735 .0059 .3956 .2332 -.4438 45 TYR 45 .3981 .7834 999.9900 999.9900 .6984 .6266 .3705 .1314 .2310 .4764 46 SER 46 -1.4442 999.9900 -.7153 999.9900 .1597 -.6666 .3765 .5234 .4622 -.2200 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .6270 -1.4297 .4746 .5164 .4978 -.4671 48 ARG 48 -.9010 1.0644 999.9900 .1593 .7064 .2377 .3818 .6479 .5370 .3169 49 SER 49 -.2734 999.9900 .6576 999.9900 .8922 .4255 .4749 .5608 .5250 .4624 50 TRP 50 -.0034 -1.4740 999.9900 999.9900 .0811 -.4655 -.1767 .5640 .2554 -.2018 51 THR 51 -.3093 999.9900 .0483 999.9900 -1.0006 -.4206 .2962 .4200 .3684 -.1091 52 VAL 52 -.0582 999.9900 .1416 999.9900 .7810 .2881 .4420 .4538 .4489 .3521 53 ARG 53 -.4063 .4266 999.9900 .5548 .0662 .2392 .2429 .4058 .3380 .2636 54 MET 54 -.1025 -1.1990 999.9900 .9587 -.8385 -.2953 .3445 .1718 .2437 -.1108 55 LYS 55 -.2455 1.2989 999.9900 .5131 -2.6618 -.1164 .3319 .5295 .4472 .0399 56 LYS 56 -.4232 .0465 999.9900 .6177 -2.6618 -.3606 -1.2912 -.3256 -.7279 -.4885 57 ARG 57 -1.5415 .8164 999.9900 .1593 .7064 .0600 .2063 .4804 .3662 .1409 58 GLY 58 -1.0150 999.9900 999.9900 999.9900 .5429 -.2360 -.0656 .6594 .3372 .0304 59 GLU 59 -.9196 -1.7714 999.9900 -1.0323 -.1261 -.9624 -.0157 .6684 .3834 -.5328 60 LYS 60 -.8010 .7020 999.9900 .1731 -.8987 -.1303 -.2040 .5505 .2361 -.0436 61 VAL 61 .0764 999.9900 -.5532 999.9900 -1.8525 -.7764 -1.0833 .1818 -.3453 -.6461 62 PHE 62 -.3916 .5902 999.9900 999.9900 -.0075 .0637 -1.0698 .3012 -.2701 -.1155 63 LEU 63 -.4065 -1.4036 999.9900 999.9900 -3.2047 -1.6716 -1.4972 -.3213 -.8113 -1.3667 64 THR 64 -3.6133 999.9900 -.8810 999.9900 -2.0584 -2.1842 -.4088 -.0390 -.1931 -1.4001 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 -.3121 -.5883 -.1618 .3378 .1296 -.3178 66 GLY 66 -.8931 999.9900 999.9900 999.9900 -.2551 -.5741 -.7805 .5100 -.0635 -.3547 67 TRP 67 .2222 .5502 999.9900 999.9900 -.9146 -.0474 .2818 .4896 .4030 .1258 68 GLU 68 .4426 -.3402 999.9900 .3501 .4526 .2263 .2484 .4509 .3665 .2674 69 ASN 69 1.3908 .3924 999.9900 999.9900 .1585 .6472 -.6253 .4908 .0258 .3615 70 PHE 70 .6259 .3192 999.9900 999.9900 -.0962 .2829 .5101 .4237 .4597 .3565 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5258 .1644 .4730 .5871 .5395 .3107 72 LYS 72 .8536 1.1488 999.9900 .3240 -.5755 .4150 .6088 .5762 .5898 .4657 73 ASP 73 .9921 -.3515 999.9900 999.9900 .6310 .4239 .2188 .4884 .3761 .3958 74 ASN 74 .2737 -1.5725 999.9900 999.9900 .6605 -.2128 .5375 .4493 .4860 .0697 75 ASN 75 -2.5793 .3778 999.9900 999.9900 -1.0852 -1.0956 -.5090 .3609 -.0016 -.6870 76 LEU 76 -.1655 .8730 999.9900 999.9900 -.0758 .2106 .1412 .5340 .3703 .2614 77 GLU 77 -.6642 -.6022 999.9900 1.1588 .3568 .0623 -.1685 .2033 .0484 .0473 78 ASP 78 -.7312 -3.7306 999.9900 999.9900 .2216 -1.4134 .0667 .4786 .3070 -.7390 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 -.8367 -1.5647 -.0389 .3946 .2019 -.6934 80 LYS 80 -1.2016 1.2989 999.9900 .4411 -1.2036 -.0448 .1653 .0993 .1268 .0058 81 TYR 81 .3271 .2608 999.9900 999.9900 .1301 .2393 .6139 .3675 .4702 .3399 82 LEU 82 -.1897 -3.3760 999.9900 999.9900 -1.5756 -1.7138 -.3690 -.1014 -.2129 -1.1223 83 GLN 83 -.1966 .4476 999.9900 1.3059 .6133 .5425 -.5341 .3034 -.0456 .3232 84 PHE 84 -.2255 .5589 999.9900 999.9900 .5949 .3095 -.9671 .4590 -.1352 .0841 85 ILE 85 .4877 .2838 999.9900 999.9900 -1.0155 -.0813 -.6082 .3709 -.0371 -.0963 86 TYR 86 .3981 -1.1695 999.9900 999.9900 .7784 .0023 -.3701 -.6125 -.5115 -.1951 87 ASP 87 -2.8635 -.5059 999.9900 999.9900 .6026 -.9223 .3441 .5316 .4535 -.3782 88 ARG 88 -2.0927 .1080 999.9900 .1593 -.7163 -.4765 .3800 .6331 .5276 -.1956 89 ASP 89 -1.8260 -.4801 999.9900 999.9900 .0868 -.7398 -1.5105 .4876 -.3449 -.6484 90 ARG 90 -1.2223 -2.8571 999.9900 .1593 -2.3710 -1.2264 .0304 .0487 .0411 -.8647 91 THR 91 .4548 999.9900 -.8810 999.9900 -.2561 -.2275 -.2806 .2383 .0221 -.1449 92 PHE 92 .1161 .5589 999.9900 999.9900 -.0075 .2225 -.1666 .6542 .3122 .2310 93 TYR 93 -.1387 -.3674 999.9900 999.9900 -.7591 -.4217 .0644 .2558 .1760 -.1890 94 VAL 94 .1037 999.9900 .8055 999.9900 -.1376 .2572 .4250 .6329 .5463 .3659 95 ILE 95 .3059 .6227 999.9900 999.9900 .0546 .3277 .5248 .3430 .4187 .3702 96 ILE 96 .1597 -3.0500 999.9900 999.9900 .1689 -.9071 .1133 .5713 .3805 -.4074 97 TYR 97 -.7539 .8463 999.9900 999.9900 .2066 .0997 -.4312 .0045 -.1770 -.0255 98 GLY 98 -2.0431 999.9900 999.9900 999.9900 .3466 -.8483 -.9635 .3387 -.2401 -.5803 99 HIS 99 -3.0884 -.1263 999.9900 999.9900 -1.0138 -1.4095 .3077 .5935 .4744 -.6654 100 ASN 100 .1294 -1.3461 999.9900 999.9900 .5940 -.2076 .4454 .4713 .4605 .0588 101 MET 101 -2.6662 .5321 999.9900 .9587 -1.2625 -.6095 .0502 -1.8863 -1.0794 -.7123 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 -.4980 -1.5500 -1.0991 -.3950 Means: -.5300 -.3428 -.0228 .3056 -.2046 -.2617 -.0568 .3326 .1696 -.1102 2.00 refined_2