1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6890 .6890 -.0575 .6349 .2887 .4221 2 SER 2 -2.9368 999.9900 -.7153 999.9900 -1.9795 -1.8772 .4923 -.5627 -.1231 -1.1404 3 ASP 3 -2.1057 -1.8420 999.9900 999.9900 -1.8780 -1.9419 .5731 .1050 .3001 -1.0295 4 PRO 4 -.8137 999.9900 999.9900 999.9900 .4021 -.2058 .4883 .4545 .4686 .1328 5 GLY 5 -1.3427 999.9900 999.9900 999.9900 -.0291 -.6859 .5091 .0703 .2653 -.1981 6 PRO 6 .0709 999.9900 999.9900 999.9900 .2989 .1849 .5555 .6495 .6103 .3937 7 GLU 7 .8171 -2.3808 999.9900 -1.0323 .1264 -.6174 .4086 .5573 .4953 -.2506 8 ALA 8 .6496 999.9900 999.9900 999.9900 .6708 .6602 .6499 .6841 .6699 .6636 9 ALA 9 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .6346 .5992 .6139 .4711 10 ARG 10 .8469 .5439 999.9900 .1593 .4407 .4300 .6151 .4718 .5315 .4624 11 LEU 11 .9913 .3419 999.9900 999.9900 -.0758 .4191 -.4277 .4677 .0946 .2595 12 ARG 12 1.1353 1.0644 999.9900 1.8476 -.2445 1.1301 .2018 .6101 .4400 .9232 13 PHE 13 1.1962 -.1636 999.9900 999.9900 .2815 .4380 .5011 -.0550 .1767 .3520 14 ARG 14 -.4063 .9821 999.9900 .1593 .7064 .3202 .4915 .6000 .5548 .3846 15 CYS 15 -.2217 999.9900 .1296 999.9900 .0994 .0024 .3400 .5684 .4733 .1832 16 PHE 16 -.3673 -.0015 999.9900 999.9900 .2172 -.0505 .0768 .5381 .3459 .0927 17 HIS 17 -.3517 -.0777 999.9900 999.9900 -.1902 -.2065 -.7727 .1747 -.2201 -.2435 18 TYR 18 -.5013 .2264 999.9900 999.9900 -.0463 -.1071 -1.2154 .0087 -.5013 -.3056 19 GLU 19 -1.0962 -.7281 999.9900 -1.0323 .0814 -.6938 -.4236 .3135 .0064 -.4809 20 GLU 20 .6116 .0644 999.9900 -1.0323 .7127 .0891 .3818 .4771 .4374 .2025 21 ALA 21 .8001 999.9900 999.9900 999.9900 .6550 .7276 .6346 .3893 .4915 .6198 22 THR 22 -.1023 999.9900 -.8810 999.9900 .3342 -.2164 .3950 .3646 .3772 .0221 23 GLY 23 -1.4779 999.9900 999.9900 999.9900 .0351 -.7214 .4965 .2777 .3750 -.1671 24 PRO 24 .4698 999.9900 999.9900 999.9900 .6931 .5815 .4427 .5870 .5269 .5482 25 GLN 25 .9013 -1.3908 999.9900 1.3059 .1963 .2532 .1311 .0506 .0842 .1991 26 GLU 26 .8171 .5296 999.9900 1.7325 .2101 .8223 .5133 .5439 .5311 .7244 27 ALA 27 .8241 999.9900 999.9900 999.9900 .4419 .6330 .6217 .6171 .6190 .6262 28 LEU 28 1.1349 .8847 999.9900 999.9900 .6258 .8818 .2746 .4602 .3828 .6760 29 ALA 29 .9879 999.9900 999.9900 999.9900 .4419 .7149 .6357 .6141 .6231 .6699 30 GLN 30 .6461 -1.3908 999.9900 1.3059 .7055 .3167 .4502 .6207 .5496 .3896 31 LEU 31 1.1349 .6236 999.9900 999.9900 .6926 .8170 .0226 .6637 .3966 .6275 32 ARG 32 1.1353 .7037 999.9900 1.6274 -.2445 .9698 .2032 .6063 .4384 .8084 33 GLU 33 .8733 -1.3804 999.9900 -1.0323 .2101 -.3323 -.2484 -.1656 -.2001 -.2906 34 LEU 34 .8442 .6031 999.9900 999.9900 .2381 .5618 .3160 .2451 .2746 .4493 35 CYS 35 1.4696 999.9900 1.2918 999.9900 .4013 1.0542 .5894 .6062 .5992 .8717 36 ARG 36 1.1353 .3358 999.9900 .1593 .2983 .4176 -1.8431 .5736 -.4334 .1169 37 GLN 37 .4537 .2375 999.9900 1.3059 .7898 .6967 -.6288 .4479 -.0007 .4343 38 TRP 38 -.6924 -1.6686 999.9900 999.9900 -.4740 -.9450 -.1511 -.4095 -.3018 -.6791 39 LEU 39 -1.4020 -.0645 999.9900 999.9900 .6926 -.2580 .5660 .5161 .5369 .0616 40 ARG 40 -2.9267 1.1781 999.9900 .7862 -.0761 -.0505 .5074 -.5997 -.1384 -.0492 41 PRO 41 .0709 999.9900 999.9900 999.9900 .4949 .2829 .5595 .5333 .5442 .4147 42 GLU 42 .8171 .6046 999.9900 .3501 -.7952 .2442 .6418 .5636 .5962 .3637 43 VAL 43 -1.8566 999.9900 -.2457 999.9900 .4989 -.5345 .3717 .6341 .5248 -.1195 44 ARG 44 -.6106 1.1781 999.9900 1.2696 .3956 .7005 -2.8046 .3666 -.9547 .1521 45 SER 45 -1.2908 999.9900 -.0289 999.9900 -1.6178 -.9791 -2.3293 .0436 -.9451 -1.0446 46 LYS 46 .9480 -.0433 999.9900 -.4035 -.3378 -.0480 .3277 -.1970 .0217 -.0156 47 GLU 47 1.0761 -1.7714 999.9900 -1.0323 .3899 -.3344 .4431 .3406 .3833 -.0923 48 GLN 48 .1338 .4956 999.9900 1.3059 -.0576 .4694 .4178 .3309 .3671 .4377 49 MET 49 .8846 .8879 999.9900 .9587 -.1136 .6544 .3637 .6453 .5280 .6044 50 LEU 50 .2355 .8847 999.9900 999.9900 -.1229 .3324 .5214 .5844 .5581 .4206 51 GLU 51 1.0761 1.2631 999.9900 -1.0323 .6424 .4873 .5998 .5804 .5885 .5216 52 LEU 52 1.1349 .8730 999.9900 999.9900 .9565 .9881 .4663 .6368 .5658 .8135 53 LEU 53 .6509 -.6141 999.9900 999.9900 -1.0998 -.3543 .0362 .0525 .0457 -.1949 54 VAL 54 .9834 999.9900 .3968 999.9900 .6959 .6920 .6252 .5585 .5863 .6519 55 LEU 55 .8182 .5315 999.9900 999.9900 .4774 .6091 .6774 .4179 .5260 .5845 56 GLU 56 .1185 -.3719 999.9900 .3501 .5390 .1589 .4426 .6455 .5610 .2873 57 GLN 57 .9013 .1562 999.9900 1.3059 .7055 .7672 .6164 .6467 .6341 .7220 58 PHE 58 1.2168 .8308 999.9900 999.9900 .2172 .7549 .4113 .6677 .5609 .6688 59 LEU 59 1.1349 .5402 999.9900 999.9900 .7753 .8168 .3981 .4098 .4049 .6516 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .5069 .1353 .6898 .6762 .6822 .4091 61 ALA 61 -.2252 999.9900 999.9900 999.9900 -.1129 -.1691 .5974 .6396 .6220 .2247 62 LEU 62 -1.1383 .9108 999.9900 999.9900 -.0758 -.1011 .5288 -.0300 .2029 .0391 63 PRO 63 .1879 999.9900 999.9900 999.9900 .0500 .1189 .0875 .2041 .1555 .1324 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 -1.3105 -1.4394 .5425 .3813 .4485 -.4887 65 GLU 65 .8171 -1.7714 999.9900 -1.0323 .3899 -.3992 .2742 .2549 .2629 -.1779 66 ILE 66 1.0115 .6227 999.9900 999.9900 .7362 .7901 .5654 .6282 .6020 .7128 67 GLN 67 1.2265 .6816 999.9900 1.3059 .6605 .9686 .5918 .6818 .6443 .8580 68 ALA 68 .9879 999.9900 999.9900 999.9900 .9520 .9699 .6940 .6904 .6919 .8311 69 ARG 69 1.1353 .1897 999.9900 .1593 .5640 .4415 .6833 .6331 .6540 .5034 70 VAL 70 .9834 999.9900 .8662 999.9900 -.0367 .6043 .3834 .5784 .4971 .5549 71 GLN 71 .9732 -1.9601 999.9900 1.3059 -.0576 .0653 .5915 .4150 .4886 .2113 72 GLY 72 -.2363 999.9900 999.9900 999.9900 -.2133 -.2248 .5511 .6791 .6222 .1951 73 GLN 73 -2.0516 .6816 999.9900 1.3059 -.2736 -.0845 .6473 .5926 .6154 .1503 74 ARG 74 -2.9267 .1897 999.9900 .5548 .3956 -.2464 .4993 -.0008 .2076 -.1047 75 PRO 75 .0709 999.9900 999.9900 999.9900 .6931 .3820 .0687 .5119 .3272 .3361 76 GLY 76 .9055 999.9900 999.9900 999.9900 .0351 .4703 .3248 .5574 .4541 .4557 77 SER 77 .0280 999.9900 -.0289 999.9900 .7151 .2381 .2642 .4647 .3812 .2886 78 PRO 78 .4216 999.9900 999.9900 999.9900 .4496 .4356 .5176 .4342 .4689 .4557 79 GLU 79 .8733 1.2230 999.9900 -1.0323 .3899 .3635 .4639 .5815 .5325 .4165 80 GLU 80 .8171 -.3559 999.9900 -1.0323 .3223 -.0622 .0353 .4310 .2661 .0362 81 ALA 81 .6648 999.9900 999.9900 999.9900 .6227 .6437 .6571 .6634 .6608 .6520 82 ALA 82 .5799 999.9900 999.9900 999.9900 .4999 .5399 -.4548 .5470 .1296 .2930 83 ALA 83 .6496 999.9900 999.9900 999.9900 .7458 .6977 .4237 .6362 .5476 .6138 84 LEU 84 .9913 -.1374 999.9900 999.9900 -1.8015 -.3159 .3842 -.3762 -.0594 -.1879 85 VAL 85 .3707 999.9900 -.2457 999.9900 .6959 .2736 .0085 .3504 .2079 .2359 86 ASP 86 1.1285 -.4801 999.9900 999.9900 -1.1781 -.1766 .4915 .3983 .4371 .0720 87 GLY 87 -.6152 999.9900 999.9900 999.9900 .7185 .0517 .4879 .6542 .5803 .3114 88 LEU 88 1.1349 .8710 999.9900 999.9900 .8331 .9463 .5185 .5603 .5429 .7835 89 ARG 89 .6041 -.4122 999.9900 .7862 .6379 .4804 .4305 .6058 .5327 .4912 90 ARG 90 -1.0149 .8164 999.9900 .1593 -1.7309 -.3221 .0814 .2200 .1623 -.1870 91 GLU 91 -3.2255 .6653 999.9900 -1.0323 .2491 -.8359 .5455 .0444 .2532 -.4589 92 PRO 92 -.8358 999.9900 999.9900 999.9900 .6931 -.0714 .6249 .6141 .6186 .2741 93 GLY 93 -2.2927 999.9900 999.9900 999.9900 .7039 -.7944 .1921 .6474 .4451 -.1873 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .5094 .5385 .5219 .5240 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .9364 .9364 -.0159 .6269 .3514 .5158 96 SER 302 -3.2405 999.9900 .6576 999.9900 .8922 -.5636 .4244 .6010 .5274 -.1331 97 ASP 303 -3.3417 -.5192 999.9900 999.9900 -1.8780 -1.9130 .3074 -.3116 -.0537 -1.1486 98 PRO 304 -.8137 999.9900 999.9900 999.9900 .7281 -.0428 .5739 .0754 .2831 .1409 99 GLY 305 -1.8567 999.9900 999.9900 999.9900 .0351 -.9108 -.3852 -.0666 -.2082 -.5684 100 PRO 306 .6171 999.9900 999.9900 999.9900 .3519 .4845 .5997 .6060 .6034 .5437 101 GLU 307 .6833 -1.4588 999.9900 .3501 .1264 -.0747 .5689 .6091 .5923 .1465 102 ALA 308 .3637 999.9900 999.9900 999.9900 .0520 .2078 .6375 .6337 .6353 .4217 103 ALA 309 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .6545 .6308 .6407 .4840 104 ARG 310 .8469 .2312 999.9900 .6901 -.2445 .4427 .5267 .4122 .4599 .4504 105 LEU 311 .9913 .3419 999.9900 999.9900 -.0758 .4191 -.0332 .5228 .2911 .3494 106 ARG 312 .8469 1.0644 999.9900 .7862 .7064 .8380 .3095 .5551 .4528 .7221 107 PHE 313 .6259 .5389 999.9900 999.9900 .3981 .5209 .4619 -.0845 .1431 .3880 108 ARG 314 .6655 .9821 999.9900 .1593 .6017 .5136 .5684 .3501 .4410 .4981 109 CYS 315 .1005 999.9900 .1296 999.9900 .5249 .2517 .5892 .6504 .6249 .3989 110 PHE 316 -.5560 .7639 999.9900 999.9900 .5495 .2524 .0366 .6131 .3729 .2814 111 HIS 317 -.1228 .1724 999.9900 999.9900 -.6493 -.1999 -.6054 .3721 -.0352 -.1666 112 TYR 318 -.5013 .2264 999.9900 999.9900 .5630 .0960 -.4151 .3266 .0176 .0399 113 GLU 319 -.8041 -.4402 999.9900 -1.0323 .2101 -.5166 -.6560 .3311 -.0802 -.3986 114 GLU 320 .4426 1.2230 999.9900 .3501 1.0761 .7730 .3550 .3697 .3636 .6361 115 ALA 321 .8241 999.9900 999.9900 999.9900 .8018 .8129 .6345 .5421 .5806 .7006 116 THR 322 -.1023 999.9900 -.8810 999.9900 .4476 -.1786 -.0401 .3453 .1847 -.0461 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.0291 -.5220 .5267 -.0273 .2189 -.1362 118 PRO 324 .4698 999.9900 999.9900 999.9900 .7618 .6158 .4595 .5094 .4886 .5501 119 GLN 325 .6461 -1.3908 999.9900 1.3059 .5636 .2812 .2056 .1640 .1814 .2491 120 GLU 326 .6833 .8034 999.9900 -1.0323 -1.0906 -.1591 .5301 .4119 .4611 .0510 121 ALA 327 .9879 999.9900 999.9900 999.9900 -1.1070 -.0596 .5755 .6511 .6196 .2769 122 LEU 328 .8786 .8847 999.9900 999.9900 .7753 .8462 -.5195 .1992 -.1003 .4437 123 ALA 329 .8241 999.9900 999.9900 999.9900 .6227 .7234 .6393 .6793 .6627 .6914 124 GLN 330 1.0381 -.1114 999.9900 1.3059 .6605 .7233 .4886 .2741 .3634 .6093 125 LEU 331 1.1349 .9108 999.9900 999.9900 .7949 .9469 -.1843 .5851 .2645 .6483 126 ARG 332 1.0056 .7037 999.9900 .7862 .1299 .6823 -.1129 .4925 .2402 .5416 127 GLU 333 .8733 .7809 999.9900 -1.0323 .4526 .2686 .2913 .2978 .2951 .2773 128 LEU 334 .9913 .8710 999.9900 999.9900 .2381 .7001 .6023 .6441 .6267 .6694 129 CYS 335 1.1812 999.9900 .1296 999.9900 .5249 .6119 .5143 .5198 .5175 .5740 130 ARG 336 1.1353 -2.3766 999.9900 .1593 -.0761 -.1998 -.1664 .0347 -.0491 -.1615 131 GLN 337 .0311 1.2376 999.9900 1.3059 .0346 .6523 -.2471 .5798 .2353 .4903 132 TRP 338 -.9087 -1.9067 999.9900 999.9900 .4467 -.7896 .2617 -.0119 .1021 -.4238 133 LEU 339 -.8032 -2.5464 999.9900 999.9900 -.2242 -1.1912 .3052 -.2113 .0039 -.6960 134 ARG 340 -2.5097 .9983 999.9900 .7862 -2.3710 -.4620 .2915 -.1868 .0125 -.3151 135 PRO 341 .0235 999.9900 999.9900 999.9900 .7618 .3927 .3372 .2084 .2621 .3327 136 GLU 342 .8604 .7809 999.9900 -1.0323 .5390 .2870 .5900 .3036 .4229 .3403 137 VAL 343 -1.8566 999.9900 -.0276 999.9900 .5258 -.4528 .5836 .5195 .5462 -.0511 138 ARG 344 -.5614 1.1781 999.9900 .5548 .4407 .4334 -.1173 .2528 .0986 .3289 139 SER 345 -.8144 999.9900 .3727 999.9900 -1.9795 -.8071 .0439 .3306 .2111 -.4093 140 LYS 346 1.0838 .6560 999.9900 .6133 -1.0384 .3856 .0418 .4469 .2781 .3453 141 GLU 347 .8733 -.8834 999.9900 -1.0323 .2865 -.1890 .4887 .1875 .3130 -.0133 142 GLN 348 .9732 .5350 999.9900 1.3059 .7486 .8906 .6799 .6302 .6509 .8121 143 MET 349 .6473 .3567 999.9900 .9587 -.8385 .2810 .3056 .6195 .4887 .3415 144 LEU 350 .2355 -1.8410 999.9900 999.9900 .5787 -.3423 .0549 .5537 .3458 -.0837 145 GLU 351 1.0761 1.1195 999.9900 -1.0323 .6424 .4514 .5700 .6688 .6276 .5074 146 LEU 352 .9913 .8730 999.9900 999.9900 .4774 .7806 .4757 .6935 .6028 .7022 147 LEU 353 .6509 -.6141 999.9900 999.9900 -1.0998 -.3543 .1410 -.4417 -.1989 -.2728 148 VAL 354 .7683 999.9900 .4980 999.9900 .5258 .5974 .3357 .5748 .4752 .5405 149 LEU 355 .8786 .5563 999.9900 999.9900 .3648 .5999 .5958 .5844 .5891 .5960 150 GLU 356 .1185 -2.8418 999.9900 -1.0323 1.0761 -.6699 .4090 .4725 .4461 -.2997 151 GLN 357 .7370 .1562 999.9900 1.3059 .2680 .6168 .3144 .4325 .3833 .5357 152 PHE 358 1.2168 .3192 999.9900 999.9900 .2172 .5844 .5634 .6515 .6148 .5936 153 LEU 359 .8442 .5402 999.9900 999.9900 .7949 .7264 .1798 .4701 .3491 .5658 154 GLY 360 -.4135 999.9900 999.9900 999.9900 -.2551 -.3343 .6926 .6616 .6754 .1714 155 ALA 361 .5364 999.9900 999.9900 999.9900 -.4068 .0648 .6036 .5846 .5925 .3295 156 LEU 362 -1.6816 .9108 999.9900 999.9900 -.1229 -.2979 .6338 .0448 .2902 -.0430 157 PRO 363 -.2410 999.9900 999.9900 999.9900 -1.3105 -.7758 .1506 .2479 .2073 -.2883 158 PRO 364 -.5836 999.9900 999.9900 999.9900 -1.3105 -.9470 .6491 .3582 .4794 -.2217 159 GLU 365 .5470 -1.7714 999.9900 .3501 .4218 -.1131 .2939 .2949 .2945 .0227 160 ILE 366 1.0067 .6227 999.9900 999.9900 .6034 .7443 .5960 .6750 .6421 .7008 161 GLN 367 .8469 .6816 999.9900 1.3059 .7055 .8850 .6005 .6489 .6287 .7982 162 ALA 368 .9879 999.9900 999.9900 999.9900 .6550 .8214 .6532 .6710 .6636 .7418 163 ARG 369 1.1353 .1897 999.9900 .5548 .1299 .5129 .4349 .6582 .5652 .5225 164 VAL 370 .3707 999.9900 .9747 999.9900 -1.5772 -.0773 .5867 .5434 .5614 .1796 165 GLN 371 .9732 -1.0287 999.9900 1.3059 .5636 .4535 .5663 .5446 .5536 .4875 166 GLY 372 -.4135 999.9900 999.9900 999.9900 .7185 .1525 .6086 .6965 .6574 .4025 167 GLN 373 -1.0957 .6816 999.9900 1.3059 -1.2230 -.0828 .6316 .5876 .6059 .1480 168 ARG 374 -2.5097 .1897 999.9900 1.0856 .0662 -.0165 .6187 .0122 .2649 .0783 169 PRO 375 .4698 999.9900 999.9900 999.9900 .2426 .3562 .1306 .3729 .2719 .3040 170 GLY 376 .9055 999.9900 999.9900 999.9900 .4101 .6578 .1873 .5983 .4156 .5253 171 SER 377 .0374 999.9900 -.0289 999.9900 .3749 .1278 .0963 .4143 .2818 .1788 172 PRO 378 .4216 999.9900 999.9900 999.9900 .2426 .3321 .5679 .4798 .5165 .4280 173 GLU 379 .6833 1.0525 999.9900 .3501 .3899 .6189 .3015 .6508 .5053 .5713 174 GLU 380 .5470 -.3559 999.9900 -1.0323 -.1261 -.2418 -.0485 .3504 .1842 -.1109 175 ALA 381 .8241 999.9900 999.9900 999.9900 .3801 .6021 .6341 .6758 .6584 .6285 176 ALA 382 .8241 999.9900 999.9900 999.9900 .2908 .5575 -.3824 .5830 .1807 .3289 177 ALA 383 .5364 999.9900 999.9900 999.9900 .6227 .5796 .6645 .6234 .6405 .6118 178 LEU 384 .6296 -.1374 999.9900 999.9900 -.9806 -.1628 .4347 .1076 .2439 .0108 179 VAL 385 .3707 999.9900 -.2457 999.9900 -.3121 -.0624 .5422 .4180 .4697 .1546 180 ASP 386 .3915 -1.4542 999.9900 999.9900 .1337 -.3096 .3662 .6205 .5146 .0116 181 GLY 387 -1.7079 999.9900 999.9900 999.9900 -.5578 -1.1328 .4949 .6864 .6013 -.2711 182 LEU 388 .8475 .8710 999.9900 999.9900 .7753 .8312 .3159 .5139 .4314 .6647 183 ARG 389 .8469 -.0184 999.9900 1.3169 -.1565 .6612 .0837 .5978 .3836 .5696 184 ARG 390 -1.3391 .8164 999.9900 1.3169 -.8847 .2453 -.0250 .2601 .1413 .2088 185 GLU 391 -3.2255 .7809 999.9900 1.7325 .3899 -.0806 .5502 -.1089 .1657 .0198 186 PRO 392 -.8137 999.9900 999.9900 999.9900 .7618 -.0259 .6039 .5691 .5836 .2803 187 GLY 393 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 -.3354 .6076 .1885 -.4770 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.1938 -.3157 -.7548 -.7548 Means: .1233 .0832 .1059 .4559 .1426 .1727 .2901 .4114 .3605 .2409 2.00 refined_6