1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6890 .6890 .2257 .6706 .4482 .5285 2 SER 2 .1980 999.9900 .3727 999.9900 .7576 .4428 -.6639 .6634 .1103 .2656 3 ASP 3 -.6293 -1.1646 999.9900 999.9900 .0868 -.5690 .5623 .0921 .2880 -.2105 4 PRO 4 .0709 999.9900 999.9900 999.9900 .1827 .1268 .6152 .6328 .6255 .3754 5 GLY 5 -1.6434 999.9900 999.9900 999.9900 .8016 -.4209 .3968 .3457 .3684 -.0248 6 PRO 6 .4698 999.9900 999.9900 999.9900 .4021 .4359 .4508 .4567 .4543 .4449 7 GLU 7 1.0761 -.3402 999.9900 -1.0323 .3899 .0234 .5409 .5427 .5419 .1962 8 ALA 8 .5364 999.9900 999.9900 999.9900 .6390 .5877 .5344 .5846 .5636 .5736 9 ALA 9 .7636 999.9900 999.9900 999.9900 .6390 .7013 .4060 .6634 .5562 .6180 10 ARG 10 1.1353 .8164 999.9900 .1593 .7064 .5953 .5806 .3648 .4547 .5603 11 LEU 11 .9913 .3419 999.9900 999.9900 .0933 .4755 -.2480 .2389 .0360 .2835 12 ARG 12 1.1353 1.1699 999.9900 1.0856 .7064 1.0365 .5266 .5940 .5659 .9005 13 PHE 13 1.1962 .3192 999.9900 999.9900 .7573 .7576 .5835 .2139 .3679 .6140 14 ARG 14 -.0126 .6306 999.9900 1.2208 -.3418 .5436 .6131 .5254 .5619 .5509 15 CYS 15 .1005 999.9900 .1296 999.9900 .5249 .2517 .4611 .5840 .5328 .3600 16 PHE 16 -.6196 -.0015 999.9900 999.9900 .5495 -.0239 .2580 .5862 .4494 .1545 17 HIS 17 -.3517 -3.1083 999.9900 999.9900 -1.6368 -1.6989 -1.3299 .1967 -.4394 -1.2460 18 TYR 18 -.1387 -.2298 999.9900 999.9900 .6556 .0957 -1.7158 -.3662 -.9285 -.3590 19 GLU 19 -.7635 -.8834 999.9900 -1.0323 .0339 -.6613 -.9167 .2972 -.2086 -.5441 20 GLU 20 .8733 .6303 999.9900 -1.0323 .0814 .1382 .5815 .4137 .4836 .2580 21 ALA 21 .8001 999.9900 999.9900 999.9900 -.0434 .3783 .6482 .4992 .5613 .4760 22 THR 22 .0584 999.9900 -.8810 999.9900 .3342 -.1628 .3771 .5217 .4614 .0821 23 GLY 23 -1.0150 999.9900 999.9900 999.9900 -.1350 -.5750 .6513 .1071 .3490 -.0979 24 PRO 24 -.4052 999.9900 999.9900 999.9900 -.0243 -.2148 .4503 .6055 .5408 .1566 25 GLN 25 .9013 .2375 999.9900 1.3059 .9038 .8371 .6651 .4459 .5373 .7432 26 GLU 26 .8171 .5296 999.9900 -1.0323 -.3984 -.0210 .4011 .5259 .4739 .1405 27 ALA 27 .8241 999.9900 999.9900 999.9900 -.2278 .2982 .6863 .6692 .6763 .4879 28 LEU 28 .8786 .8847 999.9900 999.9900 .9565 .9066 .6368 .5631 .5938 .7839 29 ALA 29 .7636 999.9900 999.9900 999.9900 .0212 .3924 .6258 .6496 .6397 .5150 30 GLN 30 1.0381 -1.3908 999.9900 1.3059 .6133 .3916 .4861 .6241 .5666 .4461 31 LEU 31 .9913 .9108 999.9900 999.9900 .3346 .7456 .5143 .4470 .4750 .6396 32 ARG 32 .8469 -.0184 999.9900 .1593 -.4506 .1393 .5272 .0826 .2679 .1866 33 GLU 33 .8733 -.2267 999.9900 -1.0323 .2101 -.0439 .5704 .5937 .5840 .1647 34 LEU 34 1.1349 .8710 999.9900 999.9900 .0933 .6997 .6695 .5841 .6197 .6706 35 CYS 35 1.0802 999.9900 .8629 999.9900 .5249 .8227 .5271 .5577 .5450 .7106 36 ARG 36 1.1353 -1.8960 999.9900 .1593 .8581 .0832 .3002 .4702 .3994 .1695 37 GLN 37 -.0765 .8911 999.9900 1.3059 .7898 .7276 -.3589 .5941 .1970 .5242 38 TRP 38 -2.7772 -1.9067 999.9900 999.9900 -.4740 -1.7193 -.0287 -.1092 -.0757 -1.0592 39 LEU 39 .6296 .8710 999.9900 999.9900 .1315 .5440 .4813 .6377 .5725 .5502 40 ARG 40 -2.5097 .6306 999.9900 .7862 .6379 .0662 .4701 .1524 .2848 .1362 41 PRO 41 .4523 999.9900 999.9900 999.9900 -.5244 -.0361 -.0483 .6351 .3504 .1287 42 GLU 42 .0765 -1.7714 999.9900 -1.0323 .7127 -.5036 .6080 .4066 .4905 -.1666 43 VAL 43 -1.1810 999.9900 -.5532 999.9900 .6959 -.3461 .2881 .4630 .3901 -.0574 44 ARG 44 -.9440 1.1781 999.9900 1.0005 .7064 .5883 .3024 .3711 .3425 .5164 45 SER 45 -.5665 999.9900 -.7153 999.9900 -.3810 -.5543 .3625 .3545 .3578 -.1892 46 LYS 46 .7090 1.1634 999.9900 .6177 .8827 .7981 .6215 .1580 .3511 .6814 47 GLU 47 .7157 .7809 999.9900 1.1588 1.0761 .9329 .5516 .3712 .4464 .7757 48 GLN 48 .9732 -1.3908 999.9900 1.3059 .5636 .3630 .4207 .6057 .5286 .4130 49 MET 49 .9193 .8879 999.9900 .9587 -.8385 .4819 .2856 .5328 .4298 .4576 50 LEU 50 .2355 -2.4128 999.9900 999.9900 -.2242 -.8005 .0871 .5108 .3342 -.3607 51 GLU 51 .7157 .8793 999.9900 -1.0323 .4526 .2538 .5459 .6444 .6033 .3676 52 LEU 52 1.1349 .8730 999.9900 999.9900 .3346 .7808 .4733 .6777 .5925 .6987 53 LEU 53 .6509 -1.7554 999.9900 999.9900 -.8739 -.6595 -.3914 -.5376 -.4767 -.5815 54 VAL 54 1.0462 999.9900 .8055 999.9900 .3827 .7448 .4929 .5848 .5465 .6624 55 LEU 55 .8182 -2.3037 999.9900 999.9900 -.1229 -.5361 .1192 .2727 .2088 -.2433 56 GLU 56 .1185 -.3559 999.9900 -1.0323 1.0761 -.0484 .3238 .5361 .4477 .1111 57 GLN 57 .7370 -.4358 999.9900 1.3059 .2680 .4688 .4896 .3610 .4146 .4543 58 PHE 58 1.2168 .5389 999.9900 999.9900 -.0075 .5827 .6234 .5130 .5590 .5769 59 LEU 59 .9913 -1.1251 999.9900 999.9900 .3346 .0669 .3353 .3201 .3264 .1712 60 GLY 60 -.0858 999.9900 999.9900 999.9900 -1.1231 -.6045 .5497 .6281 .5932 -.0078 61 ALA 61 -.8167 999.9900 999.9900 999.9900 -.1129 -.4648 .6431 .5224 .5727 .0590 62 LEU 62 -.5813 .9108 999.9900 999.9900 -.0308 .0996 .5582 .1780 .3364 .2070 63 PRO 63 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .5135 .1635 .3093 .2258 64 PRO 64 -.5836 999.9900 999.9900 999.9900 .7281 .0723 .5777 .5645 .5700 .3217 65 GLU 65 .8733 -.3402 999.9900 -1.0323 .6899 .0477 .5514 .4897 .5154 .2053 66 ILE 66 .6852 .6227 999.9900 999.9900 .4089 .5723 .5618 .6413 .6082 .5840 67 GLN 67 1.0064 .6816 999.9900 1.3059 .6605 .9136 .5247 .6478 .5965 .8045 68 ALA 68 .8001 999.9900 999.9900 999.9900 .2671 .5336 .6244 .5963 .6080 .5720 69 ARG 69 .6655 .1897 999.9900 1.6084 -2.3710 .3402 .5936 .5273 .5549 .4031 70 VAL 70 .5646 999.9900 .8055 999.9900 .8778 .7493 .5121 .5122 .5122 .6544 71 GLN 71 1.0064 -1.0871 999.9900 1.3059 1.1269 .5880 .4110 .3637 .3834 .5211 72 GLY 72 -.2363 999.9900 999.9900 999.9900 .6270 .1953 .5488 .5299 .5383 .3673 73 GLN 73 -1.8275 .6816 999.9900 1.3059 .5113 .1678 .6735 .5864 .6227 .3219 74 ARG 74 -2.9267 .3427 999.9900 .1593 .7064 -.3118 .6933 -.1018 .2295 -.1382 75 PRO 75 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5640 .6048 .5878 -.1745 76 GLY 76 1.0023 999.9900 999.9900 999.9900 .8277 .9150 .3944 .6638 .5441 .7220 77 SER 77 .0135 999.9900 .6576 999.9900 .1597 .2770 .3451 .6133 .5016 .3579 78 PRO 78 -.5836 999.9900 999.9900 999.9900 -.4005 -.4920 .6605 .4550 .5406 .0328 79 GLU 79 .8171 -.3402 999.9900 -1.0323 .2101 -.0863 .6294 .3763 .4817 .1100 80 GLU 80 .8733 -.3559 999.9900 -1.0323 -1.0906 -.4014 -.0402 .4840 .2656 -.1936 81 ALA 81 .6648 999.9900 999.9900 999.9900 .3801 .5224 .6181 .6526 .6382 .5789 82 ALA 82 .9879 999.9900 999.9900 999.9900 .6227 .8053 -.5006 .6492 .1702 .4398 83 ALA 83 .5364 999.9900 999.9900 999.9900 .7881 .6623 .6587 .6552 .6567 .6596 84 LEU 84 .6296 -.4018 999.9900 999.9900 .5787 .2688 .5490 .3681 .4435 .3447 85 VAL 85 .5660 999.9900 -1.0788 999.9900 -.3121 -.2750 -.5150 .3598 -.0047 -.1960 86 ASP 86 1.1359 -.5889 999.9900 999.9900 .5431 .3634 .5927 .6650 .6349 .4696 87 GLY 87 -.4135 999.9900 999.9900 999.9900 .8016 .1940 .6273 .7014 .6684 .4292 88 LEU 88 -.2311 .8710 999.9900 999.9900 -1.5756 -.3119 .6341 .6657 .6525 .0728 89 ARG 89 -2.0927 1.0644 999.9900 1.0005 .5640 .3073 -.0555 .4862 .2605 .2810 90 ARG 90 -1.4318 .8761 999.9900 1.1817 -2.3710 -.1127 .2708 .1565 .2041 -.0195 91 GLU 91 -3.2255 -.0067 999.9900 -1.0323 -.7952 -1.2649 .5669 -.2550 .0875 -.7913 92 PRO 92 -1.2691 999.9900 999.9900 999.9900 .4021 -.4335 .3611 .4908 .4367 -.0038 93 GLY 93 -.5558 999.9900 999.9900 999.9900 .6270 .0356 -.1075 .6236 .2986 .1468 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4913 .5934 .5350 .5423 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .9364 .9364 .1426 .6843 .4521 .5878 96 SER 302 -2.7213 999.9900 -.0289 999.9900 .7781 -.6573 .1439 .5635 .3887 -.2529 97 ASP 303 -.9091 -.3623 999.9900 999.9900 -1.0225 -.7646 .0668 -.1077 -.0350 -.4670 98 PRO 304 -2.3563 999.9900 999.9900 999.9900 .1827 -1.0868 .4052 .5473 .4881 -.3053 99 GLY 305 -.2842 999.9900 999.9900 999.9900 -.3938 -.3390 .3421 .5319 .4476 .0490 100 PRO 306 .4698 999.9900 999.9900 999.9900 .2989 .3843 .6607 .5516 .5970 .4952 101 GLU 307 .7157 -.3402 999.9900 -1.0323 .6899 .0083 .4434 .6523 .5653 .1881 102 ALA 308 .2107 999.9900 999.9900 999.9900 .4419 .3263 .4118 .6530 .5525 .4294 103 ALA 309 .6496 999.9900 999.9900 999.9900 -.7624 -.0564 .6169 .5722 .5908 .2691 104 ARG 310 .8469 .7078 999.9900 .1593 .4407 .4628 .6630 .5230 .5813 .5000 105 LEU 311 .9913 .4002 999.9900 999.9900 .4774 .6230 -.1525 .2643 .0906 .3961 106 ARG 312 .9556 1.0644 999.9900 .5548 .5640 .7387 .2329 .3395 .2951 .6094 107 PHE 313 1.1962 .1483 999.9900 999.9900 -.0075 .4457 .4943 -.5396 -.1088 .2584 108 ARG 314 -.3884 1.1699 999.9900 .1593 .2455 .2691 .3828 .3209 .3467 .2928 109 CYS 315 .8160 999.9900 .8629 999.9900 1.0610 .9133 .6165 .5484 .5768 .7810 110 PHE 316 -1.4107 .7639 999.9900 999.9900 .2172 -.1432 .2645 .5726 .4443 .0815 111 HIS 317 -.4125 -3.1083 999.9900 999.9900 -1.6368 -1.7192 -1.6368 .0490 -.6534 -1.3491 112 TYR 318 -.5013 -.5584 999.9900 999.9900 .7393 -.1068 -1.4682 -.7342 -1.0400 -.5046 113 GLU 319 -.7635 -.6022 999.9900 -1.0323 .0814 -.5792 -.3085 .3903 .0991 -.3725 114 GLU 320 .4426 1.1195 999.9900 -1.0323 .5923 .2805 .6496 .6257 .6357 .3996 115 ALA 321 .8001 999.9900 999.9900 999.9900 .6550 .7276 .6591 .5176 .5765 .6579 116 THR 322 -.1023 999.9900 -.8810 999.9900 .2504 -.2443 .4204 .4135 .4163 .0202 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.0291 -.5220 .6063 .1318 .3427 -.0765 118 PRO 324 .4698 999.9900 999.9900 999.9900 .4021 .4359 .4894 .4183 .4479 .4449 119 GLN 325 1.0381 .2375 999.9900 1.3059 .5636 .7863 .6679 .5607 .6054 .7290 120 GLU 326 .8171 .2905 999.9900 -1.0323 .2865 .0904 .5283 .5124 .5190 .2338 121 ALA 327 .5799 999.9900 999.9900 999.9900 -.7624 -.0913 .6178 .6885 .6590 .2809 122 LEU 328 .8786 .8847 999.9900 999.9900 .6926 .8186 .5065 .5294 .5199 .6984 123 ALA 329 .9879 999.9900 999.9900 999.9900 .4419 .7149 .3794 .6097 .5138 .6047 124 GLN 330 1.0381 -2.2325 999.9900 1.3059 .5636 .1688 .4988 .4965 .4974 .2784 125 LEU 331 .9913 .9108 999.9900 999.9900 .8331 .9117 .5675 .5053 .5312 .7616 126 ARG 332 .8469 -.1588 999.9900 1.0856 -.5739 .4571 .5390 .3497 .4286 .4534 127 GLU 333 .8733 .7809 999.9900 -1.0323 1.0761 .4245 .6118 .6070 .6090 .4861 128 LEU 334 1.1349 .8710 999.9900 999.9900 .5787 .8615 .6868 .6466 .6634 .7836 129 CYS 335 1.4696 999.9900 .1296 999.9900 -.3261 .4244 .5896 .6372 .6174 .5000 130 ARG 336 1.1353 -1.8960 999.9900 .5548 .5640 .1826 .4560 .2892 .3587 .2369 131 GLN 337 .4537 .8911 999.9900 2.7911 .5636 1.1749 -.1520 .6032 .2886 .8585 132 TRP 338 -2.7772 -1.9067 999.9900 999.9900 -.4740 -1.7193 .2139 -.2122 -.0347 -1.0312 133 LEU 339 .8442 .8730 999.9900 999.9900 .7753 .8308 .0280 .5424 .3281 .6126 134 ARG 340 -1.9585 1.0644 999.9900 .1593 .0662 -.1019 .4269 .2776 .3398 .0279 135 PRO 341 .0709 999.9900 999.9900 999.9900 .7618 .4164 .1147 .6022 .3991 .3874 136 GLU 342 -.1289 -.1645 999.9900 -1.0323 .6899 -.1590 .6265 .6337 .6307 .1041 137 VAL 343 -2.3613 999.9900 -.5532 999.9900 .8778 -.6789 .4548 .4415 .4471 -.2281 138 ARG 344 -.4840 1.1781 999.9900 .5548 .3956 .4399 -.0760 .1016 .0276 .3179 139 SER 345 -.2386 999.9900 .6576 999.9900 .6931 .3707 .2972 .3829 .3472 .3585 140 LYS 346 1.0429 1.1634 999.9900 .1731 .3573 .5819 .5423 .4638 .4965 .5594 141 GLU 347 .8604 .7809 999.9900 -1.0323 .3568 .2414 .6565 .6286 .6402 .3751 142 GLN 348 .9732 -2.2325 999.9900 1.3059 .6605 .1768 .1231 .5459 .3697 .2293 143 MET 349 1.1168 .8879 999.9900 .9587 -.8385 .5312 .1149 .5460 .3664 .4643 144 LEU 350 .9913 -1.1684 999.9900 999.9900 .3346 .0525 .0717 .2592 .1811 .0977 145 GLU 351 .7157 .4158 999.9900 -1.0323 .3568 .1140 .6525 .6424 .6466 .2918 146 LEU 352 1.1349 .8730 999.9900 999.9900 .9730 .9936 .4836 .6919 .6051 .8313 147 LEU 353 .6509 -.6141 999.9900 999.9900 -1.5756 -.5129 -.0730 -.4904 -.3165 -.4204 148 VAL 354 .9834 999.9900 .3968 999.9900 -.2503 .3766 .4379 .5270 .4899 .4190 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .4774 -.3360 .2348 .3187 .2838 -.0909 150 GLU 356 .1185 -.4584 999.9900 .3501 .7127 .1807 .3427 .5865 .4849 .2753 151 GLN 357 .9013 .1562 999.9900 1.3059 1.1269 .8726 .6477 .6703 .6609 .8014 152 PHE 358 1.2168 .8308 999.9900 999.9900 .5949 .8808 .5603 .6480 .6114 .7702 153 LEU 359 .8786 -.9358 999.9900 999.9900 .9565 .2998 .3560 .2523 .2955 .3015 154 GLY 360 -.2363 999.9900 999.9900 999.9900 -.2133 -.2248 .6700 .6074 .6352 .2069 155 ALA 361 -.1584 999.9900 999.9900 999.9900 -.3587 -.2586 .6330 .5911 .6085 .1767 156 LEU 362 -.5813 .9108 999.9900 999.9900 .1315 .1537 .6289 .1504 .3498 .2481 157 PRO 363 .4197 999.9900 999.9900 999.9900 .1827 .3012 .6130 .1122 .3209 .3319 158 PRO 364 .0003 999.9900 999.9900 999.9900 .6931 .3467 .5552 .5746 .5665 .4558 159 GLU 365 .8733 -.1645 999.9900 -1.0323 .6424 .0797 .5734 .5781 .5762 .2451 160 ILE 366 .6852 .6227 999.9900 999.9900 .7362 .6814 .4614 .6036 .5443 .6218 161 GLN 367 .8469 .6816 999.9900 1.3059 .5636 .8495 .4784 .5015 .4919 .7297 162 ALA 368 .8001 999.9900 999.9900 999.9900 .0817 .4409 .6034 .6688 .6415 .5385 163 ARG 369 1.1353 .1897 999.9900 2.0185 -.0761 1.0572 .5756 .4337 .4928 .8993 164 VAL 370 .9834 999.9900 .5873 999.9900 .4426 .6711 .5085 .6256 .5768 .6295 165 GLN 371 .7451 -1.9601 999.9900 1.3059 .1188 .0524 .5470 .5436 .5450 .2167 166 GLY 372 .2494 999.9900 999.9900 999.9900 .4303 .3399 .4880 .5644 .5304 .4330 167 GLN 373 -1.0351 .0854 999.9900 1.3059 .1963 .1381 .6460 .5264 .5762 .2875 168 ARG 374 -2.9267 .1080 999.9900 1.0005 .4407 -.0754 .6444 -.1186 .1993 .0213 169 PRO 375 -3.6843 999.9900 999.9900 999.9900 .4496 -1.6173 .5726 .6337 .6083 -.5071 170 GLY 376 .9055 999.9900 999.9900 999.9900 .8897 .8976 .5978 .6227 .6117 .7539 171 SER 377 .1980 999.9900 -.0289 999.9900 -2.5979 -.8096 .2486 .3715 .3203 -.3617 172 PRO 378 -.3299 999.9900 999.9900 999.9900 .1187 -.1056 .4452 .2125 .3095 .1116 173 GLU 379 .6833 -.2670 999.9900 -1.0323 -.3984 -.2536 .4847 .4028 .4370 -.0212 174 GLU 380 .1885 -.3719 999.9900 -1.0323 .2101 -.2514 .2489 .4005 .3373 -.0594 175 ALA 381 .6648 999.9900 999.9900 999.9900 .6390 .6519 .6489 .6291 .6373 .6454 176 ALA 382 .9879 999.9900 999.9900 999.9900 .6390 .8134 .0062 .6783 .3983 .5779 177 ALA 383 .9879 999.9900 999.9900 999.9900 .5367 .7623 .5876 .6688 .6350 .6952 178 LEU 384 .9913 -.1374 999.9900 999.9900 -.9806 -.0422 .5836 -.0130 .2356 .0888 179 VAL 385 .3707 999.9900 -1.0788 999.9900 -.0858 -.2646 .0685 .4197 .2734 -.0611 180 ASP 386 1.1359 -.5059 999.9900 999.9900 -.1266 .1678 .6365 .6475 .6429 .3575 181 GLY 387 -1.3427 999.9900 999.9900 999.9900 .2782 -.5322 .4544 .6569 .5669 .0117 182 LEU 388 .8475 .8730 999.9900 999.9900 -.9806 .2466 .4935 .6086 .5606 .3684 183 ARG 389 -2.0927 1.0644 999.9900 .1593 .3956 -.0628 -.1268 .4130 .1881 -.0040 184 ARG 390 -1.8488 1.0644 999.9900 .1593 .2455 -.0441 .2976 -.5918 -.2212 -.0735 185 GLU 391 -3.2255 .4207 999.9900 -1.0323 .2101 -.9068 .4577 -1.7852 -.8507 -.8258 186 PRO 392 -2.2783 999.9900 999.9900 999.9900 .6931 -.7926 .3021 .5286 .4342 -.1886 187 GLY 393 -2.2927 999.9900 999.9900 999.9900 .6270 -.8329 -.9590 .6618 -.0585 -.4907 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.5639 .3745 -.0947 -.0947 Means: .1155 -.0136 .0235 .3563 .2235 .1592 .3570 .4232 .3954 .2488 2.00 refined_15