1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6890 .6890 .3740 .4980 .4360 .5203 2 SER 2 -3.7598 999.9900 -.0289 999.9900 .3425 -1.1487 .3530 .4699 .4212 -.5247 3 ASP 3 -.0277 -1.4542 999.9900 999.9900 .3772 -.3682 .6774 .4994 .5735 .0144 4 PRO 4 -1.3449 999.9900 999.9900 999.9900 -.6674 -1.0061 .4883 .6357 .5743 -.2221 5 GLY 5 -1.4779 999.9900 999.9900 999.9900 .8277 -.3251 .2863 .3921 .3451 .0070 6 PRO 6 .6171 999.9900 999.9900 999.9900 .8563 .7367 .6362 .5352 .5773 .6612 7 GLU 7 1.0761 -.5578 999.9900 -1.0323 .7127 .0496 .6017 .6578 .6344 .2430 8 ALA 8 .5364 999.9900 999.9900 999.9900 .0817 .3091 .5570 .6616 .6180 .4592 9 ALA 9 .7636 999.9900 999.9900 999.9900 -.3587 .2024 .6077 .6639 .6405 .4191 10 ARG 10 .8469 .2312 999.9900 1.0005 .1299 .6418 .5965 .4089 .4870 .6021 11 LEU 11 .9913 .3419 999.9900 999.9900 -.2790 .3514 -.2146 .4844 .1931 .2648 12 ARG 12 1.0056 1.0644 999.9900 .5548 .0662 .6492 .4689 .2594 .3467 .5677 13 PHE 13 1.0502 .1483 999.9900 999.9900 -.0075 .3970 .4593 -.3559 -.0162 .2589 14 ARG 14 -.3884 .3075 999.9900 .1593 .4407 .1357 .4822 .5751 .5364 .2480 15 CYS 15 .1379 999.9900 1.2918 999.9900 .0994 .5097 .5125 .6179 .5740 .5319 16 PHE 16 -.8715 .4845 999.9900 999.9900 -.5721 -.3197 .1977 .6811 .4796 -.0161 17 HIS 17 -.3517 -3.1083 999.9900 999.9900 -.6493 -1.3698 -1.4021 .0072 -.5800 -1.1008 18 TYR 18 -.5013 -.3119 999.9900 999.9900 .6984 -.0383 -1.0465 -.0371 -.4577 -.2397 19 GLU 19 -1.6894 -.7281 999.9900 -1.0323 .0339 -.8540 -.0905 .0765 .0069 -.5717 20 GLU 20 .1702 -.1887 999.9900 .3501 .7127 .2611 .3542 .2319 .2828 .2717 21 ALA 21 .5799 999.9900 999.9900 999.9900 -.1129 .2335 -1.2193 -.0992 -.5659 -.2129 22 THR 22 -.1023 999.9900 .2916 999.9900 .9813 .3902 -.9287 -1.9142 -1.5036 -.3345 23 GLY 23 -.4135 999.9900 999.9900 999.9900 -.2133 -.3134 .0063 .1186 .0687 -.1255 24 PRO 24 -3.6843 999.9900 999.9900 999.9900 .0500 -1.8172 -1.0711 .5849 -.1051 -1.0301 25 GLN 25 -.0365 .1167 999.9900 1.3059 -1.6155 -.0574 -1.1959 -.1365 -.5779 -.2603 26 GLU 26 .6833 .8332 999.9900 -1.0323 -.3984 .0214 .5756 .3391 .4376 .1667 27 ALA 27 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .5089 .6256 .5770 .4463 28 LEU 28 .8182 .8730 999.9900 999.9900 .7753 .8222 .3424 .4344 .3961 .6487 29 ALA 29 .6648 999.9900 999.9900 999.9900 .4999 .5823 .6348 .6518 .6447 .6128 30 GLN 30 1.0381 1.1815 999.9900 1.3059 .7055 1.0578 .2645 .5359 .4228 .8386 31 LEU 31 1.1349 .9108 999.9900 999.9900 .9730 1.0062 .2055 .6349 .4560 .7718 32 ARG 32 1.1353 .7037 999.9900 .5548 .2455 .6388 -.1632 .5578 .2574 .5127 33 GLU 33 .8733 .7809 999.9900 -1.0323 1.0761 .4245 .3825 .0687 .1994 .3582 34 LEU 34 1.1349 .8730 999.9900 999.9900 .3346 .7808 .6570 .6463 .6507 .7291 35 CYS 35 .8160 999.9900 .8629 999.9900 -.3261 .4509 .3936 .5736 .4986 .4640 36 ARG 36 .6655 -2.0954 999.9900 .9503 -.2445 .0452 -.0461 .0329 .0000 .0304 37 GLN 37 .0311 1.1250 999.9900 1.3059 .3348 .6992 .3561 .4700 .4225 .6038 38 TRP 38 -2.7772 -1.6686 999.9900 999.9900 .4467 -1.3330 .2616 -.5410 -.2066 -.8557 39 LEU 39 .8442 -.0645 999.9900 999.9900 .4504 .4100 .6184 .3595 .4674 .4416 40 ARG 40 -2.5097 1.0644 999.9900 .1593 .3956 -.1462 .5478 .2031 .3467 .0028 41 PRO 41 .0709 999.9900 999.9900 999.9900 .4949 .2829 .3998 .5902 .5109 .3890 42 GLU 42 .8171 -.3559 999.9900 -1.0323 .0339 -.1343 .4980 .6475 .5852 .1014 43 VAL 43 -1.8566 999.9900 -1.0788 999.9900 .8778 -.6859 .4926 .4549 .4706 -.2220 44 ARG 44 -.4945 1.1699 999.9900 .1593 -.0022 .1984 -1.2720 -.3254 -.7198 -.0865 45 SER 45 .1787 999.9900 -.7153 999.9900 .5740 .0124 -.2524 .0066 -.1013 -.0417 46 LYS 46 .2805 .5211 999.9900 .9443 -.5755 .4229 .5209 .1555 .3077 .3987 47 GLU 47 .8733 1.1195 999.9900 -1.0323 .7127 .4183 -1.0790 .4376 -.1944 .1719 48 GLN 48 .7370 .5350 999.9900 1.3059 .9038 .8704 .6365 .6778 .6606 .7993 49 MET 49 .8434 .8879 999.9900 .9587 -1.9874 .1756 .3846 .5872 .5028 .2791 50 LEU 50 .2355 -1.8410 999.9900 999.9900 .2713 -.4447 .0029 .4886 .2862 -.1685 51 GLU 51 .8604 .8034 999.9900 -1.0323 .4218 .2633 .2560 .5693 .4388 .3131 52 LEU 52 .9913 .8847 999.9900 999.9900 .7139 .8633 .5034 .6260 .5749 .7439 53 LEU 53 1.1349 .3419 999.9900 999.9900 .3346 .6038 -.2299 .2803 .0677 .3724 54 VAL 54 .7683 999.9900 -.5532 999.9900 .7810 .3321 .4988 .4685 .4811 .3927 55 LEU 55 .8182 -2.3037 999.9900 999.9900 -.1229 -.5361 .2199 .3193 .2779 -.2138 56 GLU 56 .7157 .4305 999.9900 1.1588 .5923 .7243 .5940 .4983 .5382 .6649 57 GLN 57 .9013 -2.2325 999.9900 1.3059 .0346 .0023 .5563 .5005 .5238 .1777 58 PHE 58 1.2168 .5389 999.9900 999.9900 1.0159 .9239 .4601 .6749 .5854 .7813 59 LEU 59 .8475 .5402 999.9900 999.9900 .4774 .6217 .4208 .3522 .3808 .5276 60 GLY 60 -.4135 999.9900 999.9900 999.9900 -.0291 -.2213 .5295 .6042 .5710 .1728 61 ALA 61 .3573 999.9900 999.9900 999.9900 .0817 .2195 .6080 .6770 .6483 .4310 62 LEU 62 -.5813 .9108 999.9900 999.9900 -.6894 -.1200 .4738 .0080 .2021 .0244 63 PRO 63 .4197 999.9900 999.9900 999.9900 .5793 .4995 .5665 .0945 .2912 .4150 64 PRO 64 -1.2813 999.9900 999.9900 999.9900 .5793 -.3510 .5132 .5800 .5522 .0978 65 GLU 65 .8733 -.2670 999.9900 -1.0323 .5112 .0213 .4367 .5827 .5219 .1841 66 ILE 66 .6852 .6227 999.9900 999.9900 .9338 .7473 .5028 .6222 .5724 .6733 67 GLN 67 1.2265 .6816 999.9900 1.3059 .5636 .9444 .5788 .6597 .6260 .8360 68 ALA 68 .9879 999.9900 999.9900 999.9900 .4999 .7439 .6879 .6635 .6737 .7098 69 ARG 69 .9011 .1897 999.9900 .5548 .5640 .5529 .5714 .5184 .5405 .5506 70 VAL 70 .7260 999.9900 .5873 999.9900 -.5257 .2626 .1522 .5517 .3852 .2983 71 GLN 71 1.0064 -.8354 999.9900 1.3059 .6605 .5344 .6404 -.0330 .2476 .4575 72 GLY 72 .7290 999.9900 999.9900 999.9900 -.2133 .2578 .6020 .6109 .6069 .4321 73 GLN 73 .1030 .0854 999.9900 2.7911 -.0576 .7305 .4840 .1000 .2600 .5843 74 ARG 74 -2.9267 -1.0788 999.9900 .5548 .7064 -.4379 .5604 -.6095 -.1220 -.3198 75 PRO 75 -.8433 999.9900 999.9900 999.9900 .7618 -.0407 .3267 .3566 .3441 .1505 76 GLY 76 .9055 999.9900 999.9900 999.9900 .5069 .7062 -.1093 .5795 .2733 .4706 77 SER 77 .0374 999.9900 -.0289 999.9900 -.1244 -.0386 .0947 .4844 .3220 .0927 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -1.0436 -.6868 .2761 .4898 .4008 -.1519 79 GLU 79 .6833 1.0525 999.9900 -1.0323 -.3984 .0762 .6032 .3566 .4593 .2108 80 GLU 80 .5470 -.2267 999.9900 -1.0323 .2101 -.1255 .0878 .3433 .2368 -.0118 81 ALA 81 .9879 999.9900 999.9900 999.9900 .6227 .8053 .6581 .6402 .6477 .7272 82 ALA 82 .8241 999.9900 999.9900 999.9900 .6227 .7234 -.3469 .6175 .2157 .4294 83 ALA 83 .5364 999.9900 999.9900 999.9900 .6708 .6036 .5773 .6447 .6166 .6073 84 LEU 84 .9913 -.1374 999.9900 999.9900 -.6084 .0818 .5233 -.2247 .0870 .1088 85 VAL 85 .3707 999.9900 -.0276 999.9900 -.5257 -.0609 .4953 .3571 .4147 .1340 86 ASP 86 1.1359 -.3515 999.9900 999.9900 -.4783 .1021 .6161 .5596 .5831 .2964 87 GLY 87 -1.5291 999.9900 999.9900 999.9900 .3016 -.6137 .5309 .6980 .6237 .0004 88 LEU 88 .4996 .8710 999.9900 999.9900 .4774 .6160 .1856 .5090 .3742 .5085 89 ARG 89 .2784 -.0184 999.9900 .7862 -.5739 .2517 .5867 .5743 .5795 .3456 90 ARG 90 -2.5097 -2.8571 999.9900 .5548 .4407 -.7633 -.1758 .1846 .0344 -.5440 91 GLU 91 -.4269 .8793 999.9900 -1.0323 -.6780 -.3145 .4950 .2030 .3247 -.0933 92 PRO 92 -2.6996 999.9900 999.9900 999.9900 .1827 -1.2584 .5565 .5203 .5353 -.3600 93 GLY 93 -3.4864 999.9900 999.9900 999.9900 .8016 -1.3424 .2696 .6540 .4831 -.4403 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6087 .6886 .6430 .6487 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .4303 .4303 .6467 .5086 .5678 .5285 96 SER 302 -2.9368 999.9900 .3727 999.9900 -.3096 -.9579 .3752 .3755 .3754 -.4246 97 ASP 303 -.4836 -.7325 999.9900 999.9900 .6856 -.1768 .5430 .5147 .5265 .1054 98 PRO 304 .4523 999.9900 999.9900 999.9900 -.0243 .2140 .4815 .5671 .5314 .3691 99 GLY 305 -.8286 999.9900 999.9900 999.9900 .4101 -.2092 .2884 .4246 .3641 .0736 100 PRO 306 .6171 999.9900 999.9900 999.9900 .7618 .6895 .5645 .5102 .5329 .6134 101 GLU 307 .8733 -.4402 999.9900 -1.0323 .3568 -.0606 .5596 .5756 .5689 .1488 102 ALA 308 .5364 999.9900 999.9900 999.9900 .0817 .3091 .6020 .6504 .6302 .4676 103 ALA 309 .6648 999.9900 999.9900 999.9900 .2671 .4659 .6201 .6530 .6392 .5512 104 ARG 310 1.1353 .5439 999.9900 1.0005 .5640 .8488 .5602 .6670 .6225 .7816 105 LEU 311 .9913 .3419 999.9900 999.9900 .9565 .7632 -.2966 .4710 .1512 .4928 106 ARG 312 .8469 .7735 999.9900 .5548 -.0022 .5456 .4327 .5422 .4966 .5290 107 PHE 313 1.2230 .6387 999.9900 999.9900 .1482 .6699 .6220 .2767 .4206 .5817 108 ARG 314 .6655 1.1699 999.9900 1.2696 .3956 .9540 .6488 .2842 .4361 .8147 109 CYS 315 -.2798 999.9900 .1296 999.9900 .0994 -.0169 .5548 .6410 .6051 .2290 110 PHE 316 -.8715 -.6014 999.9900 999.9900 -.0075 -.4934 .1405 .6373 .4303 -.1405 111 HIS 317 -.3517 -.0777 999.9900 999.9900 -.3908 -.2734 -.8427 .2489 -.2059 -.2828 112 TYR 318 -.5013 .2264 999.9900 999.9900 .5127 .0793 -1.4286 .1409 -.5130 -.2100 113 GLU 319 -1.0962 -.4402 999.9900 -1.0323 .6899 -.4697 -.2026 .3634 .1276 -.2863 114 GLU 320 .6116 -.1887 999.9900 -1.0323 1.0761 .1167 .5396 .4024 .4596 .2348 115 ALA 321 .5799 999.9900 999.9900 999.9900 .4999 .5399 .6021 .3874 .4768 .5173 116 THR 322 -.2485 999.9900 -.8810 999.9900 .3342 -.2651 .0260 .4725 .2865 -.0594 117 GLY 323 -1.4779 999.9900 999.9900 999.9900 -.0631 -.7705 .6670 .0367 .3169 -.2093 118 PRO 324 .4698 999.9900 999.9900 999.9900 .7618 .6158 .4580 .5327 .5016 .5556 119 GLN 325 .9013 -1.3908 999.9900 1.3059 .0346 .2127 .3437 .0566 .1762 .2085 120 GLU 326 .6833 .8034 999.9900 -1.0323 -1.0906 -.1591 .5901 .5028 .5392 .0761 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .6516 .6717 .6633 .5496 122 LEU 328 .8786 .8730 999.9900 999.9900 .7753 .8423 .3505 .4411 .4034 .6637 123 ALA 329 .8241 999.9900 999.9900 999.9900 .0817 .4529 .5572 .6520 .6125 .5288 124 GLN 330 .6461 .7982 999.9900 1.3059 .7055 .8639 .3813 .4899 .4447 .7211 125 LEU 331 .8786 .3561 999.9900 999.9900 -.9806 .0847 .2668 .6105 .4673 .2263 126 ARG 332 1.0056 .7158 999.9900 .6901 .7064 .7616 .3551 .3705 .3641 .6476 127 GLU 333 .8171 -.7009 999.9900 .3501 .6424 .2772 .1623 -.7346 -.3609 .0894 128 LEU 334 .9913 .8730 999.9900 999.9900 .7139 .8594 .6398 .6262 .6319 .7688 129 CYS 335 1.0802 999.9900 .1296 999.9900 .0994 .4364 .4149 .5220 .4774 .4492 130 ARG 336 .6655 -1.7413 999.9900 .7862 -.4506 .0092 -.0974 -.0931 -.0949 -.0206 131 GLN 337 .4537 .6727 999.9900 1.3059 .1963 .6571 -.2259 -.0373 -.1159 .3942 132 TRP 338 -2.7772 -1.6686 999.9900 999.9900 .4467 -1.3330 -.3353 -.7388 -.5706 -1.0146 133 LEU 339 .9913 .8730 999.9900 999.9900 .6926 .8523 .3826 .3321 .3531 .6543 134 ARG 340 -2.5097 1.0858 999.9900 .5548 .2455 -.0137 .5417 -.1376 .1455 .0479 135 PRO 341 -.6976 999.9900 999.9900 999.9900 -.4005 -.5491 .5574 .5194 .5352 -.0053 136 GLU 342 .8171 -.2267 999.9900 -1.0323 -.5746 -.2541 .5371 .6017 .5748 .0204 137 VAL 343 -2.3613 999.9900 -.0276 999.9900 -1.0415 -1.1435 .5635 .2031 .3532 -.5328 138 ARG 344 -.4840 1.1699 999.9900 .1593 .2455 .2500 .4393 -.2058 .0630 .2119 139 SER 345 -.1368 999.9900 .3727 999.9900 .6705 .3021 .4273 .2199 .3063 .3107 140 LYS 346 1.0429 1.1634 999.9900 .3240 -.4892 .4730 .4589 .4691 .4649 .4705 141 GLU 347 .8604 -.1887 999.9900 .3501 1.0761 .5245 -.1649 -.1169 -.1369 .3027 142 GLN 348 .9732 .2375 999.9900 1.3059 .6605 .7943 .6453 .6536 .6501 .7460 143 MET 349 .8064 .8879 999.9900 .9587 -.3043 .5872 .0401 .6094 .3722 .4997 144 LEU 350 .2355 -1.8410 999.9900 999.9900 -.2242 -.6099 -.1028 .2218 .0865 -.3421 145 GLU 351 .7157 .8332 999.9900 -1.0323 .7566 .3183 .2864 .3698 .3351 .3216 146 LEU 352 .8182 .8847 999.9900 999.9900 .3346 .6792 .5396 .6734 .6177 .6501 147 LEU 353 .6509 -.6141 999.9900 999.9900 -.8739 -.2791 .0658 -.4985 -.2634 -.2540 148 VAL 354 .9834 999.9900 .4980 999.9900 .7810 .7542 .4574 .3490 .3941 .6138 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .8331 -.2174 .2969 .3313 .3170 -.0048 150 GLU 356 .7157 -.0067 999.9900 -1.0323 .5923 .0672 .6320 .6176 .6236 .2531 151 GLN 357 .6461 -2.2325 999.9900 1.3059 -.2736 -.1385 .5194 .5398 .5313 .0842 152 PHE 358 1.2168 .5389 999.9900 999.9900 1.0159 .9239 .4634 .6131 .5507 .7696 153 LEU 359 .8475 .5402 999.9900 999.9900 .7753 .7210 .3998 .3054 .3447 .5736 154 GLY 360 -.2363 999.9900 999.9900 999.9900 -.3938 -.3151 .6509 .6817 .6680 .1756 155 ALA 361 .2107 999.9900 999.9900 999.9900 -.3587 -.0740 .6634 .5950 .6235 .2776 156 LEU 362 -.5813 .8710 999.9900 999.9900 -.1229 .0556 .5751 .2197 .3678 .1923 157 PRO 363 .3744 999.9900 999.9900 999.9900 .7618 .5681 .5217 .2671 .3732 .4813 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .4496 -.4158 .4817 .5405 .5160 .0476 159 GLU 365 .8733 -.4402 999.9900 -1.0323 .4218 -.0444 .5103 .5256 .5192 .1431 160 ILE 366 .6852 .6227 999.9900 999.9900 .6034 .6371 .4539 .5700 .5216 .5870 161 GLN 367 1.2265 .6816 999.9900 1.3059 .5636 .9444 .5270 .5516 .5414 .8094 162 ALA 368 .9879 999.9900 999.9900 999.9900 .6708 .8293 .6789 .6930 .6871 .7576 163 ARG 369 1.1353 .1897 999.9900 .6901 .2455 .5901 .6736 .6069 .6347 .6045 164 VAL 370 .9834 999.9900 .5873 999.9900 .1378 .5695 -.1513 .6447 .3130 .4404 165 GLN 371 .9732 -1.7668 999.9900 1.3059 .0346 .1367 .5692 .2513 .3838 .2279 166 GLY 372 .7290 999.9900 999.9900 999.9900 .6270 .6780 .5125 .6843 .6079 .6382 167 GLN 373 -.6030 .8911 999.9900 1.3059 .6605 .5636 .1539 .4014 .2983 .4683 168 ARG 374 -2.9267 -1.1946 999.9900 .5548 .3956 -.5232 .4335 -.4277 -.0689 -.3729 169 PRO 375 -2.2783 999.9900 999.9900 999.9900 .7944 -.7420 .4461 .5950 .5330 -.1107 170 GLY 376 .9055 999.9900 999.9900 999.9900 .0351 .4703 .1599 .5932 .4006 .4234 171 SER 377 .1980 999.9900 -.0289 999.9900 .5215 .2302 .2944 .5157 .4235 .3002 172 PRO 378 -.5836 999.9900 999.9900 999.9900 -1.3105 -.9470 .0904 .4694 .3115 -.3336 173 GLU 379 .6833 1.0525 999.9900 .3501 -.3984 .4219 .2995 .1923 .2369 .3632 174 GLU 380 .8171 -.3559 999.9900 1.1588 -.1867 .3583 .0762 .4586 .2993 .3280 175 ALA 381 .8241 999.9900 999.9900 999.9900 .2671 .5456 .6310 .6537 .6443 .5940 176 ALA 382 .6648 999.9900 999.9900 999.9900 .7881 .7264 .3614 .6136 .5085 .6070 177 ALA 383 .9879 999.9900 999.9900 999.9900 .4012 .6945 .6066 .6655 .6410 .6653 178 LEU 384 .9913 -.1374 999.9900 999.9900 -1.8015 -.3159 .5928 -.1772 .1436 -.1064 179 VAL 385 .3707 999.9900 -.2457 999.9900 -.2503 -.0418 .4096 .2429 .3123 .1054 180 ASP 386 1.1359 -.7325 999.9900 999.9900 -.2530 .0501 .5715 .5998 .5880 .2643 181 GLY 387 .4395 999.9900 999.9900 999.9900 .4101 .4248 .4868 .6519 .5785 .4971 182 LEU 388 .4996 .8710 999.9900 999.9900 -.3982 .3241 .1885 .4510 .3416 .3224 183 ARG 389 -.3973 -.0184 999.9900 .7862 .1299 .2573 .4605 .6387 .5644 .3408 184 ARG 390 -2.9267 -2.8571 999.9900 .5548 -1.7309 -1.2810 -.6743 -.0645 -.3186 -1.0206 185 GLU 391 -.8826 .6515 999.9900 -1.0323 .2101 -.2633 .2072 -1.0275 -.5130 -.3123 186 PRO 392 -2.2783 999.9900 999.9900 999.9900 .7618 -.7582 .2080 .5675 .4177 -.1852 187 GLY 393 -.1741 999.9900 999.9900 999.9900 .7185 .2722 -.5210 .6545 .1320 .1695 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.1839 .0708 -.5565 -.5565 Means: .1320 .0121 .0754 .4031 .1966 .1697 .2936 .3688 .3373 .2324 2.00 refined_13