1 GLY 1 999.9900 999.9900 999.9900 999.9900 .4101 .4101 .3693 .6391 .5042 .4728 2 SER 2 -2.4175 999.9900 -.0289 999.9900 .5740 -.6241 -.0327 .4578 .2534 -.2895 3 ASP 3 -.6430 -1.1646 999.9900 999.9900 .9215 -.2954 .5053 .2161 .3366 -.0329 4 PRO 4 .4523 999.9900 999.9900 999.9900 -.6674 -.1076 .4418 .6045 .5367 .2078 5 GLY 5 -.8286 999.9900 999.9900 999.9900 -.9224 -.8755 .5056 .1975 .3345 -.2620 6 PRO 6 .4216 999.9900 999.9900 999.9900 .7281 .5748 .2768 .4788 .3946 .4763 7 GLU 7 .5470 -.3402 999.9900 -1.0323 .2491 -.1441 .4515 .5903 .5325 .0776 8 ALA 8 .5364 999.9900 999.9900 999.9900 .3801 .4583 .5756 .6654 .6280 .5394 9 ALA 9 .9879 999.9900 999.9900 999.9900 .3365 .6622 .3872 .6619 .5475 .5934 10 ARG 10 .8469 .7238 999.9900 .1593 .4837 .4746 .5880 .2144 .3700 .4536 11 LEU 11 .9913 .8730 999.9900 999.9900 .7753 .8798 .4612 .5693 .5243 .7340 12 ARG 12 1.1353 1.0644 999.9900 1.0005 .5640 .9529 .5065 .6262 .5763 .8425 13 PHE 13 .8041 .5389 999.9900 999.9900 .5949 .6460 .4991 .1867 .3169 .5248 14 ARG 14 -.0126 -.0184 999.9900 .1593 .4407 .1457 .4835 .5402 .5166 .2503 15 CYS 15 .1005 999.9900 .1296 999.9900 .5249 .2517 .5188 .6318 .5847 .3811 16 PHE 16 -.5560 -.1118 999.9900 999.9900 .6382 -.0099 -.3320 .6336 .2313 .0544 17 HIS 17 -.1228 -.0777 999.9900 999.9900 -.6493 -.2833 -.9948 .2996 -.2398 -.3090 18 TYR 18 -.5013 .2264 999.9900 999.9900 .4027 .0426 -.5582 .3297 -.0402 -.0201 19 GLU 19 -1.0962 -.6022 999.9900 -1.0323 .2101 -.6302 -.0789 .3139 .1502 -.3809 20 GLU 20 .6116 -.3402 999.9900 -1.0323 .6899 -.0178 .3106 .3861 .3546 .1043 21 ALA 21 .8001 999.9900 999.9900 999.9900 .6390 .7195 .6361 .4925 .5523 .6419 22 THR 22 -.1023 999.9900 -.8810 999.9900 .6695 -.1046 -.2227 .2687 .0639 -.0536 23 GLY 23 -.5702 999.9900 999.9900 999.9900 -.2990 -.4346 .6641 .2028 .4079 -.0006 24 PRO 24 .0709 999.9900 999.9900 999.9900 -.1935 -.0613 -.2254 .5873 .2487 .0598 25 GLN 25 -.0365 -.9251 999.9900 1.3059 -1.2230 -.2197 -.8767 .0947 -.3101 -.2768 26 GLU 26 .8171 .5040 999.9900 .3501 -1.0906 .1451 .4625 .3617 .4037 .2341 27 ALA 27 .9879 999.9900 999.9900 999.9900 -.3587 .3146 .5990 .6495 .6285 .4694 28 LEU 28 .8182 .8847 999.9900 999.9900 .8331 .8454 -.4211 .2422 -.0342 .4714 29 ALA 29 .8241 999.9900 999.9900 999.9900 .8152 .8197 .6767 .6918 .6855 .7520 30 GLN 30 .6461 -.7562 999.9900 1.3059 .6605 .4641 .5122 .4651 .4847 .4722 31 LEU 31 .8786 .9108 999.9900 999.9900 .4774 .7556 .2339 .5584 .4232 .6118 32 ARG 32 .8469 .8164 999.9900 .1593 .7064 .5377 -1.0893 -.0076 -.4583 .2273 33 GLU 33 -.2326 .7809 999.9900 -1.0323 .6424 .0396 .2085 -.7013 -.3222 -.0557 34 LEU 34 1.1349 .8730 999.9900 999.9900 .7753 .9277 .6568 .6417 .6480 .8163 35 CYS 35 .8160 999.9900 .1296 999.9900 .5249 .4902 .5835 .5951 .5902 .5298 36 ARG 36 .6655 -1.8960 999.9900 .1593 -.2445 -.2313 -.2534 .1371 -.0256 -.1818 37 GLN 37 .0311 1.2376 999.9900 1.3059 .6133 .7969 .2288 .5668 .4260 .6639 38 TRP 38 -2.7772 -1.6686 999.9900 999.9900 .2792 -1.3889 -.0938 -.0487 -.0675 -.8618 39 LEU 39 .6296 -.0645 999.9900 999.9900 -.0758 .1631 .6044 .2499 .3976 .2687 40 ARG 40 -2.5097 .7317 999.9900 1.0856 -2.3710 -.3956 .2342 -.2421 -.0436 -.2837 41 PRO 41 .3509 999.9900 999.9900 999.9900 .2989 .3249 .1412 -.1352 -.0200 .1639 42 GLU 42 .8604 -.4402 999.9900 -1.0323 .7127 .0251 .4669 -.0577 .1609 .0850 43 VAL 43 -2.3613 999.9900 -1.0788 999.9900 -.0858 -1.1753 .5944 .4602 .5161 -.4943 44 ARG 44 -.7709 1.0858 999.9900 .5548 .7064 .4262 -.1675 .3683 .1451 .3331 45 SER 45 -1.1635 999.9900 -.7153 999.9900 -1.3611 -1.0800 -.0488 -.4060 -.2572 -.7390 46 LYS 46 1.2214 .4914 999.9900 .4778 -.4892 .4358 -.0926 .0546 -.0067 .3059 47 GLU 47 .6833 -1.7714 999.9900 -1.0323 -1.2865 -.8517 .3185 .0995 .1907 -.4982 48 GLN 48 1.2265 .5127 999.9900 1.3059 .6133 .9146 .5797 .5717 .5750 .8016 49 MET 49 .8064 .8879 999.9900 .9587 -.1136 .6349 -.1867 .5867 .2645 .4899 50 LEU 50 .2355 .8847 999.9900 999.9900 .2713 .4639 .2288 .3514 .3004 .3944 51 GLU 51 .7157 .4305 999.9900 -1.0323 .2491 .0907 .6343 .6358 .6351 .2722 52 LEU 52 .8786 .8730 999.9900 999.9900 .3346 .6954 .4254 .6953 .5828 .6414 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -.8739 -.5016 -.4645 -.4631 -.4637 -.4865 54 VAL 54 .9834 999.9900 -.2457 999.9900 .1768 .3048 .4705 .2355 .3334 .3241 55 LEU 55 .8182 -2.3037 999.9900 999.9900 .2381 -.4158 .1133 .0740 .0903 -.2120 56 GLU 56 .1185 -.4584 999.9900 -1.0323 .0339 -.3346 .4762 .5879 .5413 -.0457 57 GLN 57 .9013 -2.2325 999.9900 1.3059 .6605 .1588 .4081 .6033 .5220 .2744 58 PHE 58 1.2168 .8308 999.9900 999.9900 .0736 .7071 .4465 .6628 .5726 .6461 59 LEU 59 1.1349 -.9358 999.9900 999.9900 .3346 .1779 .4064 .3093 .3497 .2499 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .0036 -.2050 .6810 .6853 .6834 .2391 61 ALA 61 .5364 999.9900 999.9900 999.9900 -.2694 .1335 .6761 .6154 .6407 .3896 62 LEU 62 -.5813 .9108 999.9900 999.9900 -.0758 .0846 .6200 -.0077 .2538 .1732 63 PRO 63 .4197 999.9900 999.9900 999.9900 .2426 .3312 .4664 .3682 .4091 .3742 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .4021 -.5831 .5448 .5610 .5543 -.0151 65 GLU 65 .8733 -.4402 999.9900 -1.0323 .4526 -.0367 .4688 .4174 .4388 .1233 66 ILE 66 .6852 .0348 999.9900 999.9900 1.0081 .5760 .5386 .6248 .5889 .5783 67 GLN 67 1.2265 .6816 999.9900 1.3059 .6133 .9568 .6306 .6586 .6470 .8527 68 ALA 68 .5799 999.9900 999.9900 999.9900 .6708 .6254 .6665 .6583 .6617 .6439 69 ARG 69 .6323 .1897 999.9900 .7862 .4407 .5670 .6348 .6453 .6409 .5879 70 VAL 70 .9834 999.9900 .4980 999.9900 .4426 .6413 -.2633 .5073 .1862 .4336 71 GLN 71 .7451 -1.7668 999.9900 1.3059 -.0576 .0566 .5065 .2830 .3761 .1693 72 GLY 72 -.4135 999.9900 999.9900 999.9900 .6270 .1067 .5172 .5514 .5362 .3205 73 GLN 73 -1.4685 .0854 999.9900 2.7911 .1963 .4011 .6155 .3477 .4593 .4279 74 ARG 74 -2.9267 .1897 999.9900 .1593 -.2445 -.5326 .6562 -.0219 .2607 -.2898 75 PRO 75 -2.3165 999.9900 999.9900 999.9900 .4949 -.9108 .6084 .4844 .5361 -.1822 76 GLY 76 .9055 999.9900 999.9900 999.9900 .2296 .5676 .2374 .6148 .4471 .4968 77 SER 77 -.0526 999.9900 -.0289 999.9900 -.9994 -.3603 .3961 .4729 .4409 -.0424 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -.0243 -.1771 .5946 .3022 .4240 .1356 79 GLU 79 .6833 -.3402 999.9900 .3501 .0339 .1818 .3514 .4756 .4238 .2590 80 GLU 80 .8733 -.3559 999.9900 .3501 -.1867 .1702 .3298 .6178 .4978 .2714 81 ALA 81 .8241 999.9900 999.9900 999.9900 .6390 .7316 .6651 .6781 .6727 .7016 82 ALA 82 .5799 999.9900 999.9900 999.9900 .7881 .6840 -.1285 .5821 .2860 .4554 83 ALA 83 .3637 999.9900 999.9900 999.9900 .4999 .4318 .2086 .4224 .3333 .3737 84 LEU 84 1.1349 -3.3760 999.9900 999.9900 .3346 -.6355 .3349 -1.4089 -.6823 -.5961 85 VAL 85 .5660 999.9900 .1416 999.9900 -.0858 .2073 .6896 .3968 .5188 .3416 86 ASP 86 1.1285 -.5059 999.9900 999.9900 -.1266 .1653 .6372 .6290 .6324 .3524 87 GLY 87 -.6152 999.9900 999.9900 999.9900 .7883 .0865 .5821 .6513 .6205 .3516 88 LEU 88 .2872 .8710 999.9900 999.9900 .7753 .6445 .4137 .5848 .5135 .5864 89 ARG 89 -.4063 -.0419 999.9900 .1593 .4407 .0622 .4729 .6702 .5880 .2077 90 ARG 90 -1.4318 1.0644 999.9900 .5548 -2.3710 -.3258 .1172 .2491 .1942 -.1804 91 GLU 91 -2.8104 .5971 999.9900 -1.0323 -2.5035 -1.4373 -.4092 .2477 -.0260 -.9851 92 PRO 92 -5.1268 999.9900 999.9900 999.9900 .2426 -2.4421 .4442 .0940 .2399 -1.0865 93 GLY 93 -2.2927 999.9900 999.9900 999.9900 .7039 -.7944 .2522 .5866 .4380 -.1875 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .5264 .6516 .5801 .5890 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .9364 .9364 -.2544 .6722 .2751 .4514 96 SER 302 -.5665 999.9900 .3727 999.9900 .5991 .1351 -.0316 .5550 .3106 .1857 97 ASP 303 -.7969 -1.7735 999.9900 999.9900 .5121 -.6861 .4875 .2484 .3480 -.2645 98 PRO 304 .4216 999.9900 999.9900 999.9900 .4949 .4582 .2523 .5264 .4122 .4238 99 GLY 305 -1.3427 999.9900 999.9900 999.9900 .4303 -.4562 -.5326 .5038 .0432 -.2353 100 PRO 306 .4698 999.9900 999.9900 999.9900 -.1935 .1382 .5935 .6572 .6307 .3818 101 GLU 307 .8171 -1.7714 999.9900 -1.0323 .6899 -.3242 .2100 .1418 .1702 -.1575 102 ALA 308 .9879 999.9900 999.9900 999.9900 .6390 .8134 .6857 .6730 .6783 .7464 103 ALA 309 .9879 999.9900 999.9900 999.9900 .6708 .8293 .6228 .6671 .6486 .7371 104 ARG 310 .8469 .7238 999.9900 .1593 .5640 .4907 .6457 .3985 .5015 .4996 105 LEU 311 .9913 .5280 999.9900 999.9900 .0933 .5375 .3149 .5891 .4748 .5033 106 ARG 312 1.1353 1.0644 999.9900 1.0005 -.0022 .8397 .5355 .6061 .5767 .7629 107 PHE 313 1.1962 -.8310 999.9900 999.9900 .1482 .1711 .6152 .0640 .2936 .2385 108 ARG 314 -.3884 .9163 999.9900 .1593 -.5739 .0545 .0996 -.0633 .0046 .0441 109 CYS 315 .5491 999.9900 .1296 999.9900 -.6280 .0169 .5758 .5638 .5688 .2381 110 PHE 316 -1.0508 .7639 999.9900 999.9900 .3981 .0370 -.1480 .6249 .3028 .1176 111 HIS 317 -.4783 .1724 999.9900 999.9900 -.6493 -.3184 -.7627 .2980 -.1440 -.2840 112 TYR 318 -.5013 -.5584 999.9900 999.9900 .6984 -.1204 -.8822 .3205 -.1806 -.1846 113 GLU 319 -.8041 -.6022 999.9900 -1.0323 1.0761 -.3406 -1.2045 .3184 -.3162 -.3748 114 GLU 320 .4426 .6303 999.9900 -1.0323 .7127 .1883 .4352 .3213 .3688 .2516 115 ALA 321 .8241 999.9900 999.9900 999.9900 .1657 .4949 .6074 .5616 .5807 .5397 116 THR 322 -.1023 999.9900 -.8810 999.9900 -.7236 -.5690 .0826 .4208 .2799 -.2407 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.5578 -.7864 .6830 .1155 .3677 -.1936 118 PRO 324 .6171 999.9900 999.9900 999.9900 .4496 .5334 .4864 .4692 .4764 .5056 119 GLN 325 .9013 -1.3011 999.9900 1.3059 .1963 .2756 -.3053 -.0007 -.1276 .1327 120 GLU 326 .6833 .5296 999.9900 -1.0323 -1.2865 -.2765 .5910 .4066 .4834 -.0181 121 ALA 327 .9879 999.9900 999.9900 999.9900 -1.1070 -.0596 .6983 .6710 .6824 .3125 122 LEU 328 .8786 .9108 999.9900 999.9900 .7753 .8549 .2418 .5624 .4288 .6738 123 ALA 329 .3573 999.9900 999.9900 999.9900 .6227 .4900 .6345 .6957 .6702 .5776 124 GLN 330 -.3431 -.7562 999.9900 1.3059 .9038 .2776 .5514 .3967 .4612 .3431 125 LEU 331 1.1349 .9108 999.9900 999.9900 .7348 .9268 .2469 .5800 .4412 .7215 126 ARG 332 1.0056 .8164 999.9900 .5548 .4407 .6745 -.0733 .5653 .2992 .5520 127 GLU 333 .8733 .4305 999.9900 -1.0323 .2491 .1301 .3901 .0584 .1966 .1615 128 LEU 334 1.1349 .8710 999.9900 999.9900 .6926 .8995 .6834 .6011 .6354 .7966 129 CYS 335 1.0802 999.9900 .1296 999.9900 1.0610 .7569 .5140 .5884 .5574 .6746 130 ARG 336 .6655 -1.8960 999.9900 .6901 .4407 .1181 .2398 .2715 .2583 .1574 131 GLN 337 -.1264 .8911 999.9900 1.3059 .3348 .6014 .3525 .5661 .4771 .5540 132 TRP 338 -1.4299 -3.3859 999.9900 999.9900 .2792 -1.5122 .2236 -.0645 .0555 -.8755 133 LEU 339 -.2410 -.0645 999.9900 999.9900 .0933 -.0708 .6321 .3957 .4942 .1631 134 ARG 340 -1.7561 1.0644 999.9900 .1593 -.8847 -.2516 .3284 .2209 .2657 -.1012 135 PRO 341 .0235 999.9900 999.9900 999.9900 .6188 .3212 .1709 .2538 .2193 .2668 136 GLU 342 .8604 -.3402 999.9900 -1.0323 -1.0906 -.4007 .5399 .2129 .3491 -.1417 137 VAL 343 -1.6906 999.9900 -1.0788 999.9900 .6734 -.6987 .2641 .5669 .4408 -.2530 138 ARG 344 -.6502 1.1699 999.9900 1.7124 .4407 .8770 -2.1887 -.0090 -.9172 .3125 139 SER 345 -.9779 999.9900 -.7153 999.9900 -1.9795 -1.2242 -1.1099 -.3213 -.6499 -1.0208 140 LYS 346 1.2214 .6560 999.9900 .4411 -.3378 .4844 -.6040 .0032 -.2498 .2602 141 GLU 347 .6833 -1.7714 999.9900 -1.0323 -.3984 -.6297 .4608 .2674 .3479 -.2985 142 GLN 348 .7370 .5350 999.9900 1.3059 .0346 .6531 .6358 .6318 .6335 .6467 143 MET 349 1.1168 .8879 999.9900 .9587 -.8385 .5312 -.0184 .6282 .3588 .4558 144 LEU 350 .2355 .8847 999.9900 999.9900 -.3982 .2407 .2154 .4230 .3365 .2721 145 GLU 351 .7157 .4305 999.9900 -1.0323 .2491 .0907 .4952 .5119 .5049 .2283 146 LEU 352 1.1349 .8730 999.9900 999.9900 .6486 .8855 .3880 .6648 .5494 .7418 147 LEU 353 -.0169 -.6141 999.9900 999.9900 -.6894 -.4401 -.3066 -.4941 -.4160 -.4242 148 VAL 354 .8065 999.9900 -.5532 999.9900 .5776 .2770 .4082 .2253 .3015 .2929 149 LEU 355 .8182 -2.3037 999.9900 999.9900 -.2242 -.5699 -.0357 -.1129 -.0808 -.3717 150 GLU 356 .1185 -.2267 999.9900 -1.0323 .1264 -.2535 .3206 .3063 .3123 -.0645 151 GLN 357 .9013 -2.2325 999.9900 1.3059 .3348 .0774 .6065 .3952 .4832 .2185 152 PHE 358 1.2168 .5389 999.9900 999.9900 -.0075 .5827 .6290 .6734 .6549 .6101 153 LEU 359 .8786 -.9358 999.9900 999.9900 .3648 .1025 .5192 .2891 .3849 .2232 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .0036 -.1164 .5538 .6536 .6093 .2437 155 ALA 361 -.2252 999.9900 999.9900 999.9900 -.4068 -.3160 .6070 .6323 .6217 .1518 156 LEU 362 -.5813 .9108 999.9900 999.9900 .4774 .2690 .6067 .0872 .3037 .3002 157 PRO 363 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .4776 .1727 .2998 .2192 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .4949 -.3932 .5282 .4921 .5072 .0585 159 GLU 365 .5470 -.3402 999.9900 -1.0323 .3899 -.1089 .4960 .4713 .4816 .0886 160 ILE 366 1.0115 .6227 999.9900 999.9900 .7362 .7901 .5673 .6451 .6127 .7166 161 GLN 367 1.2265 .6816 999.9900 1.3059 .7055 .9799 .6569 .6278 .6399 .8674 162 ALA 368 .8001 999.9900 999.9900 999.9900 .3801 .5901 .6709 .6834 .6782 .6336 163 ARG 369 1.1353 .3075 999.9900 .9503 -.0761 .6535 .6918 .6645 .6759 .6605 164 VAL 370 .3041 999.9900 .1416 999.9900 .6959 .3806 .1819 .5821 .4154 .3811 165 GLN 371 .7451 -1.9601 999.9900 1.3059 .2680 .0897 .4995 .2687 .3649 .1879 166 GLY 372 -.0858 999.9900 999.9900 999.9900 .4101 .1621 .4375 .6037 .5298 .3414 167 GLN 373 -2.2003 .8911 999.9900 1.3059 .7055 .1756 .6210 .5394 .5734 .3105 168 ARG 374 -2.9267 .3427 999.9900 .1593 .4407 -.3649 .5999 -.0419 .2256 -.1809 169 PRO 375 -3.6843 999.9900 999.9900 999.9900 .7618 -1.4612 .4123 .6020 .5229 -.4771 170 GLY 376 .9055 999.9900 999.9900 999.9900 .0036 .4546 .3511 .6265 .5041 .4717 171 SER 377 .2241 999.9900 .3727 999.9900 -1.1621 -.1884 -.0011 .2363 .1374 -.0660 172 PRO 378 -.3299 999.9900 999.9900 999.9900 -.1935 -.2617 .2581 .3395 .3056 .0186 173 GLU 379 .6833 1.0525 999.9900 -1.0323 .3899 .2733 .5221 .5830 .5576 .3664 174 GLU 380 .5470 -.3559 999.9900 -1.0323 -1.2865 -.5319 -.2710 .4073 .1247 -.3319 175 ALA 381 .8241 999.9900 999.9900 999.9900 .2671 .5456 .6786 .6629 .6694 .6082 176 ALA 382 .8241 999.9900 999.9900 999.9900 .6390 .7316 -.1749 .6224 .2902 .4777 177 ALA 383 .8001 999.9900 999.9900 999.9900 .9520 .8761 .6495 .6432 .6458 .7612 178 LEU 384 .9913 -.1374 999.9900 999.9900 -.9806 -.0422 .4176 .0618 .2101 .0705 179 VAL 385 .3707 999.9900 .1416 999.9900 .5776 .3633 .6099 .3914 .4824 .4182 180 ASP 386 .3915 -.2599 999.9900 999.9900 -.7687 -.2124 .5301 .5808 .5597 .0948 181 GLY 387 -1.3427 999.9900 999.9900 999.9900 .2296 -.5565 .5698 .6952 .6395 .0380 182 LEU 388 .8475 .8710 999.9900 999.9900 .7348 .8177 .3753 .5898 .5004 .6837 183 ARG 389 -.3973 -.0184 999.9900 .1593 .9385 .1683 .6089 .6505 .6332 .3001 184 ARG 390 -1.8488 1.0644 999.9900 1.0856 .7064 .4186 .5583 .3544 .4393 .4294 185 GLU 391 -3.2255 1.1195 999.9900 1.7325 -2.5035 -.7193 .3430 .2740 .3028 -.3767 186 PRO 392 -1.0642 999.9900 999.9900 999.9900 .5793 -.2425 .1785 .5014 .3668 .0487 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .7039 -1.3912 -.0228 .6503 .3511 -.5387 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.6524 .0532 -.2996 -.2996 Means: .0651 -.0191 -.2010 .3224 .1414 .1040 .2875 .3882 .3460 .1949 2.00 refined_1