1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 -.0826 .6368 .2771 .4606 2 SER 2 -1.2119 999.9900 -.7153 999.9900 .9098 -.3391 -.4305 .5832 .1609 -.1729 3 ASP 3 -.8891 -1.4542 999.9900 999.9900 .1786 -.7215 .5219 .0807 .2645 -.3124 4 PRO 4 -2.1402 999.9900 999.9900 999.9900 .4021 -.8691 .5267 .4644 .4904 -.1867 5 GLY 5 -1.5291 999.9900 999.9900 999.9900 .6270 -.4510 .6130 .4182 .5048 .0323 6 PRO 6 .6171 999.9900 999.9900 999.9900 .6188 .6180 .6317 .4966 .5529 .5911 7 GLU 7 .6833 1.0486 999.9900 .3501 -.1867 .4738 -.0260 .0709 .0305 .3234 8 ALA 8 .5364 999.9900 999.9900 999.9900 -1.0083 -.2359 .6159 .4297 .5073 .1434 9 ALA 9 .7636 999.9900 999.9900 999.9900 .0212 .3924 .5415 .5827 .5656 .4773 10 ARG 10 .8469 .8024 999.9900 .7862 .4407 .7325 .4515 .6203 .5500 .6763 11 LEU 11 .9913 .4002 999.9900 999.9900 .7139 .7018 -.0193 .3365 .1882 .4845 12 ARG 12 1.1353 1.0644 999.9900 .7862 .7064 .8957 .2699 .4971 .4025 .7493 13 PHE 13 .6259 .6387 999.9900 999.9900 -.0075 .4190 .0796 .1763 .1360 .3026 14 ARG 14 .6655 -.2334 999.9900 .1593 .7064 .2914 .4804 .5738 .5349 .3588 15 CYS 15 -.1941 999.9900 .1296 999.9900 -.6280 -.2308 .6130 .6369 .6269 .1115 16 PHE 16 -1.4107 -.0015 999.9900 999.9900 .9272 -.1617 .3558 .6625 .5347 .1067 17 HIS 17 -.4783 -3.1083 999.9900 999.9900 -1.0138 -1.5334 -.8645 .3845 -.1359 -1.0161 18 TYR 18 -.5013 .2264 999.9900 999.9900 .1301 -.0483 -1.3869 -.1455 -.6627 -.3354 19 GLU 19 -1.9096 -.7281 999.9900 .3501 .0339 -.5634 -.6806 -.1651 -.3799 -.5166 20 GLU 20 .8733 1.1195 999.9900 .3501 .6899 .7582 .3455 .4524 .4079 .6384 21 ALA 21 .8001 999.9900 999.9900 999.9900 -.8374 -.0187 -1.0879 .2156 -.3276 -.2274 22 THR 22 -.2485 999.9900 -.8810 999.9900 .6695 -.1533 -.7391 -1.7318 -1.3182 -.5862 23 GLY 23 -.5417 999.9900 999.9900 999.9900 .2296 -.1560 .5970 -.0682 .2275 .0542 24 PRO 24 -1.9929 999.9900 999.9900 999.9900 -.8366 -1.4147 -1.2267 .6086 -.1561 -.8619 25 GLN 25 .1338 -1.0871 999.9900 1.3059 -.7286 -.0940 -2.2822 -.1305 -1.0270 -.4648 26 GLU 26 .6833 .8332 999.9900 -1.0323 -1.0906 -.1516 .5565 .1074 .2945 .0096 27 ALA 27 .6648 999.9900 999.9900 999.9900 -.1129 .2759 .4234 .6065 .5302 .3954 28 LEU 28 .8786 .8847 999.9900 999.9900 .7139 .8257 .4619 .4971 .4824 .6872 29 ALA 29 .6648 999.9900 999.9900 999.9900 .0817 .3732 .6095 .6615 .6399 .5044 30 GLN 30 1.0381 .7982 999.9900 1.3059 1.1269 1.0673 .4392 .5881 .5260 .8827 31 LEU 31 1.1349 .9108 999.9900 999.9900 .3648 .8035 .0292 .5498 .3329 .5979 32 ARG 32 1.0056 .8164 999.9900 .1593 .5640 .5409 .4730 .5777 .5341 .5365 33 GLU 33 .6833 -.2533 999.9900 -1.0323 .3899 -.0531 -.0718 -.3210 -.2172 -.1009 34 LEU 34 1.1349 .8847 999.9900 999.9900 -.2790 .5802 .5322 .6077 .5763 .5761 35 CYS 35 1.0802 999.9900 .1296 999.9900 -.3261 .2946 .5648 .5820 .5748 .4061 36 ARG 36 .6655 -1.7413 999.9900 .6901 -.0761 .0456 -.0238 -.0310 -.0280 .0248 37 GLN 37 .0311 .2375 999.9900 1.3059 .1963 .4427 .0441 -.0469 -.0090 .2946 38 TRP 38 -2.7772 -1.6686 999.9900 999.9900 .4467 -1.3330 .2197 -.1324 .0143 -.7824 39 LEU 39 1.1349 .8710 999.9900 999.9900 .7348 .9135 .4684 .5493 .5156 .7517 40 ARG 40 -2.5097 1.0644 999.9900 .1593 .3956 -.1462 .6851 .0695 .3260 .0034 41 PRO 41 -.6976 999.9900 999.9900 999.9900 .4021 -.1478 .4707 .6182 .5567 .1983 42 GLU 42 .1025 -.3559 999.9900 -1.0323 -.5746 -.4651 .5880 .6667 .6339 -.1009 43 VAL 43 -1.8566 999.9900 -.2457 999.9900 .7394 -.4543 .5653 .4877 .5200 -.0620 44 ARG 44 -.5855 1.0858 999.9900 1.3960 .0662 .6717 -.1237 .2861 .1153 .5030 45 SER 45 -.8144 999.9900 -.7153 999.9900 -.3096 -.6131 -.1238 .4741 .2249 -.2978 46 LYS 46 1.2214 .5211 999.9900 .6506 .0525 .6192 .5709 .3584 .4470 .5751 47 GLU 47 .8604 .4305 999.9900 -1.0323 1.0761 .3337 .3712 .5111 .4528 .3695 48 GLN 48 .9732 -.5355 999.9900 1.3059 .6605 .6010 .4796 .4276 .4493 .5519 49 MET 49 1.1168 .8879 999.9900 .9587 -1.2625 .4252 .4401 .5167 .4848 .4429 50 LEU 50 .2355 -1.8410 999.9900 999.9900 .2381 -.4558 .0143 .4878 .2905 -.1730 51 GLU 51 .7157 .8034 999.9900 .3501 .6899 .6398 .1539 .2738 .2238 .4978 52 LEU 52 .9913 .8730 999.9900 999.9900 .6486 .8376 .4877 .6499 .5823 .7301 53 LEU 53 .6509 .1629 999.9900 999.9900 -.1723 .2138 -.1329 .1570 .0362 .1331 54 VAL 54 1.0462 999.9900 .9747 999.9900 -.2503 .5902 .5057 .5151 .5112 .5583 55 LEU 55 .8182 .5315 999.9900 999.9900 .7139 .6879 .6454 .4893 .5543 .6397 56 GLU 56 .1185 .6687 999.9900 -1.0323 -.4821 -.1818 .2547 .4782 .3851 .0009 57 GLN 57 .6461 -2.6982 999.9900 3.6599 .1963 .4510 .3839 .4937 .4479 .4469 58 PHE 58 1.2168 .8308 999.9900 999.9900 .7193 .9223 .4767 .6529 .5795 .7793 59 LEU 59 1.1349 -1.1251 999.9900 999.9900 .6926 .2341 .4183 .1346 .2528 .2511 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .0036 -.1164 .6169 .6486 .6345 .2582 61 ALA 61 .5364 999.9900 999.9900 999.9900 -.6283 -.0459 .5074 .5377 .5251 .2383 62 LEU 62 -1.0000 .9108 999.9900 999.9900 .1315 .0141 .6042 .1520 .3404 .1597 63 PRO 63 .4197 999.9900 999.9900 999.9900 .8563 .6380 .5184 .2870 .3834 .5203 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .6931 -.4376 .4682 .5616 .5227 .0387 65 GLU 65 .8733 -.3249 999.9900 .3501 .0814 .2450 .3172 .5535 .4550 .3084 66 ILE 66 .6852 .0348 999.9900 999.9900 .4912 .4037 .1434 .4459 .3199 .3601 67 GLN 67 1.2265 .6816 999.9900 1.3059 .7055 .9799 .5693 .6660 .6257 .8591 68 ALA 68 .5799 999.9900 999.9900 999.9900 .6550 .6175 .5245 .6925 .6225 .6130 69 ARG 69 .6323 .0264 999.9900 1.0856 -.0761 .5507 .5988 .6258 .6145 .5683 70 VAL 70 .8065 999.9900 .8055 999.9900 .6734 .7618 .4340 .4870 .4649 .6413 71 GLN 71 .7451 -1.7668 999.9900 1.3059 .5636 .2120 .6689 .4675 .5514 .3307 72 GLY 72 1.2494 999.9900 999.9900 999.9900 .3016 .7755 .6077 .6065 .6070 .6913 73 GLN 73 -.9796 -.6527 999.9900 1.3059 -1.6155 -.4855 .4222 .0725 .2182 -.2412 74 ARG 74 -2.9267 .1897 999.9900 1.0005 -.0022 -.1476 .5173 .2416 .3565 .0030 75 PRO 75 .0709 999.9900 999.9900 999.9900 .7281 .3995 .1694 .5019 .3633 .3676 76 GLY 76 .9055 999.9900 999.9900 999.9900 .9364 .9210 .5453 .6073 .5797 .7486 77 SER 77 -.2454 999.9900 -.7153 999.9900 .6235 -.1124 .5243 .6247 .5829 .1624 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -.0243 -.1771 .6534 .1546 .3624 .1134 79 GLU 79 .8733 -1.1891 999.9900 .3501 .1264 .0402 .4553 .5904 .5341 .2011 80 GLU 80 .5470 -.3559 999.9900 -1.0323 -.1867 -.2570 -.2907 .3314 .0722 -.1645 81 ALA 81 .6648 999.9900 999.9900 999.9900 .6227 .6437 .6298 .6796 .6588 .6492 82 ALA 82 .8241 999.9900 999.9900 999.9900 .2908 .5575 -.4527 .5897 .1554 .3130 83 ALA 83 .6496 999.9900 999.9900 999.9900 .7458 .6977 .5241 .6467 .5956 .6416 84 LEU 84 .9913 -.4018 999.9900 999.9900 -.8739 -.0948 .3610 -.1950 .0366 -.0237 85 VAL 85 .3707 999.9900 -.5532 999.9900 .8778 .2318 .1671 .5004 .3615 .2726 86 ASP 86 1.1285 -1.1062 999.9900 999.9900 .8104 .2776 .5667 .6456 .6127 .4090 87 GLY 87 1.2494 999.9900 999.9900 999.9900 -.2133 .5180 .4190 .6787 .5633 .5334 88 LEU 88 -.4552 -1.9410 999.9900 999.9900 -1.5756 -1.3239 .5633 -.1353 .1558 -.7088 89 ARG 89 -2.2658 .8024 999.9900 .6901 -.3418 -.0850 -.0179 -.6155 -.3665 -.1512 90 ARG 90 -1.1879 -2.8571 999.9900 .7862 .1299 -.4686 .1996 .4652 .3545 -.2397 91 GLU 91 -.9070 -.5578 999.9900 -1.0323 .2865 -.5527 .4909 .2538 .3526 -.2443 92 PRO 92 -1.9661 999.9900 999.9900 999.9900 -.4005 -1.1833 .3562 .5465 .4672 -.3660 93 GLY 93 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .1662 .6403 .4296 -.4630 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6263 .6777 .6483 .6520 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .5429 .5429 .1458 .6776 .4497 .4554 96 SER 302 -.2386 999.9900 .3727 999.9900 .7151 .2831 .1564 .6486 .4435 .3309 97 ASP 303 -.6293 -1.6521 999.9900 999.9900 .3772 -.6347 .2825 -.1150 .0506 -.3474 98 PRO 304 -2.1402 999.9900 999.9900 999.9900 .1827 -.9787 .4508 .5859 .5296 -.2302 99 GLY 305 -1.4779 999.9900 999.9900 999.9900 .6270 -.4255 .5929 .2538 .4045 -.0011 100 PRO 306 .4523 999.9900 999.9900 999.9900 .7944 .6233 .5616 .4880 .5187 .5741 101 GLU 307 .8733 1.1195 999.9900 -1.0323 .4526 .3533 .5643 .6712 .6266 .4414 102 ALA 308 .5364 999.9900 999.9900 999.9900 .3365 .4365 .6639 .6574 .6601 .5486 103 ALA 309 .6648 999.9900 999.9900 999.9900 .6708 .6678 .5303 .6419 .5954 .6269 104 ARG 310 1.1353 .8164 999.9900 .1593 -.0022 .4536 .2746 .3180 .2999 .4087 105 LEU 311 1.1349 .3419 999.9900 999.9900 .9730 .8166 -.2246 .2716 .0648 .4993 106 ARG 312 .6655 1.0644 999.9900 .6901 .4407 .7101 .4913 .6079 .5593 .6643 107 PHE 313 .6259 .0059 999.9900 999.9900 -1.5955 -.3212 -.1693 .5354 .2418 -.1195 108 ARG 314 .6655 -1.1343 999.9900 .1593 .6017 .0903 .4025 .4523 .4315 .1866 109 CYS 315 -.2217 999.9900 .1296 999.9900 -1.7809 -.6243 .5477 .5878 .5711 -.1475 110 PHE 316 -.8057 -.6014 999.9900 999.9900 .6382 -.2563 -.0617 .6303 .3419 -.0401 111 HIS 317 -.4125 -3.1083 999.9900 999.9900 -1.0138 -1.5115 -1.2594 .2600 -.3731 -1.1068 112 TYR 318 -.5013 -.2298 999.9900 999.9900 -.1498 -.2937 -1.9715 .1223 -.7501 -.5460 113 GLU 319 -.7635 -.6022 999.9900 -1.0323 1.0761 -.3305 -.8155 .3576 -.1312 -.2966 114 GLU 320 .0468 1.1195 999.9900 -1.0323 .2865 .1051 .4701 .6320 .5645 .2538 115 ALA 321 .8001 999.9900 999.9900 999.9900 .4999 .6500 .5310 .5766 .5576 .6019 116 THR 322 -.3275 999.9900 -.8810 999.9900 .7246 -.1613 -.1530 .3800 .1579 -.0514 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.3452 -.6801 .5684 .1018 .3092 -.1725 118 PRO 324 .4698 999.9900 999.9900 999.9900 .6931 .5815 .5802 .5190 .5445 .5655 119 GLN 325 .9013 -1.7668 999.9900 1.3059 .2680 .1771 .2021 .3759 .3035 .2144 120 GLU 326 .6833 .8034 999.9900 -1.0323 -1.2865 -.2080 .5185 .4152 .4582 .0169 121 ALA 327 .7636 999.9900 999.9900 999.9900 -.1129 .3254 .6169 .6335 .6266 .4753 122 LEU 328 .8786 .8847 999.9900 999.9900 .7348 .8327 .3910 .4667 .4352 .6712 123 ALA 329 .6648 999.9900 999.9900 999.9900 .4999 .5823 .5395 .6498 .6038 .5885 124 GLN 330 1.0381 1.1815 999.9900 1.3059 .9038 1.1073 .2910 .4323 .3734 .8588 125 LEU 331 1.1349 .9108 999.9900 999.9900 -1.0998 .3153 .2393 .5149 .4001 .3400 126 ARG 332 .9011 .7158 999.9900 1.8476 .6379 1.1900 .6113 .5321 .5651 1.0134 127 GLU 333 .8171 -.2533 999.9900 -1.0323 .6899 .0553 .1825 -.2449 -.0668 .0265 128 LEU 334 1.1349 .8847 999.9900 999.9900 .0933 .7043 .3669 .6035 .5049 .6167 129 CYS 335 1.4696 999.9900 .1296 999.9900 1.0610 .8867 .5749 .6284 .6061 .7727 130 ARG 336 .6655 .4564 999.9900 .1593 -.2445 .2392 .3298 .4207 .3828 .2781 131 GLN 337 -.0765 -.3910 999.9900 1.3059 .6605 .3747 -.1531 .1788 .0405 .2541 132 TRP 338 -1.4299 -1.6686 999.9900 999.9900 .4467 -.8839 -.3569 -.5063 -.4440 -.7030 133 LEU 339 .0401 .8730 999.9900 999.9900 -.6894 .0746 .3124 .4272 .3794 .1927 134 ARG 340 -1.6758 .6306 999.9900 .5548 .4407 .1010 .3134 .1460 .2158 .1378 135 PRO 341 -.3299 999.9900 999.9900 999.9900 .1187 -.1056 -.0092 .4582 .2634 .0594 136 GLU 342 .6833 -.3559 999.9900 -1.0323 .7127 .0019 .4709 .5819 .5357 .1768 137 VAL 343 -1.6906 999.9900 -.0276 999.9900 .1378 -.5268 .4704 .5926 .5416 -.1035 138 ARG 344 -.6106 1.1781 999.9900 .6901 .4407 .4777 .1147 .5216 .3520 .4321 139 SER 345 -.9779 999.9900 -.7153 999.9900 .5215 -.3906 -.2149 .5052 .2052 -.1763 140 LYS 346 .9480 1.1634 999.9900 -.0770 .6340 .5183 .4386 .0514 .2128 .4402 141 GLU 347 .7157 -.2670 999.9900 -1.0323 .6899 .0266 -.3165 -.0210 -.1441 -.0386 142 GLN 348 1.0064 -.7562 999.9900 1.3059 .6605 .5541 .2730 .3557 .3212 .4742 143 MET 349 .9193 .8879 999.9900 .9587 -1.2625 .3758 .2447 .6165 .4616 .3941 144 LEU 350 .2355 -1.4262 999.9900 999.9900 -.1723 -.4543 .2347 .5550 .4216 -.1146 145 GLU 351 .7157 .8034 999.9900 -1.0323 .6424 .2823 .1734 .3008 .2477 .2672 146 LEU 352 1.1349 .8730 999.9900 999.9900 .6486 .8855 .5072 .6972 .6180 .7722 147 LEU 353 .6509 -1.7554 999.9900 999.9900 -1.3910 -.8318 -.2450 -.6824 -.5001 -.6846 148 VAL 354 .8065 999.9900 .7395 999.9900 .2144 .5868 .2714 .5382 .4271 .5140 149 LEU 355 .8182 .4002 999.9900 999.9900 -.3368 .2939 .3242 .4880 .4198 .3388 150 GLU 356 .7157 -.3559 999.9900 -1.0323 .3899 -.0707 .4026 .5169 .4693 .1061 151 GLN 357 .6461 -2.6982 999.9900 3.6599 -.1596 .3620 .5361 .4357 .4775 .4033 152 PHE 358 1.2168 .6387 999.9900 999.9900 -.5721 .4278 -.6364 .4670 .0073 .2228 153 LEU 359 .8475 -.4817 999.9900 999.9900 .5293 .2984 -.5921 .2288 -.1133 .1063 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .4101 .0869 .6238 .6941 .6628 .3729 155 ALA 361 -.1584 999.9900 999.9900 999.9900 -.1129 -.1356 .6511 .6252 .6360 .2512 156 LEU 362 -1.0000 .9108 999.9900 999.9900 -.0758 -.0550 .5927 .1776 .3506 .1211 157 PRO 363 .1879 999.9900 999.9900 999.9900 -.4005 -.1063 .3672 .3956 .3838 .1375 158 PRO 364 .0003 999.9900 999.9900 999.9900 .6931 .3467 .5888 .4156 .4877 .4244 159 GLU 365 .8733 -.4964 999.9900 1.1588 -.6780 .2144 .4270 .6142 .5362 .3165 160 ILE 366 .6852 .0348 999.9900 999.9900 1.0081 .5760 .3060 .4415 .3850 .4951 161 GLN 367 .9013 .6816 999.9900 1.3059 1.1269 1.0039 .5759 .6754 .6339 .8778 162 ALA 368 .8001 999.9900 999.9900 999.9900 .3801 .5901 .6564 .6821 .6714 .6297 163 ARG 369 1.0056 .1897 999.9900 .1593 .4407 .3909 .6091 .6815 .6513 .4636 164 VAL 370 1.0462 999.9900 .8662 999.9900 -.9137 .3329 .4535 .4456 .4489 .3795 165 GLN 371 .7451 -2.2325 999.9900 1.3059 .5636 .0955 .5630 .4118 .4748 .2262 166 GLY 372 .2494 999.9900 999.9900 999.9900 .3016 .2755 .5670 .6333 .6038 .4378 167 GLN 373 -2.0516 -.6527 999.9900 1.3059 -.5521 -.4876 .5411 .4430 .4839 -.1611 168 ARG 374 -2.9267 .1897 999.9900 .5548 -.0022 -.3259 .4097 .3029 .3474 -.1310 169 PRO 375 .0709 999.9900 999.9900 999.9900 .7618 .4164 .3915 .5036 .4569 .4320 170 GLY 376 .9055 999.9900 999.9900 999.9900 .8897 .8976 .5411 .6238 .5870 .7400 171 SER 377 .0135 999.9900 -.7153 999.9900 -.6377 -.4465 .1876 .4367 .3329 -.1430 172 PRO 378 -.8433 999.9900 999.9900 999.9900 -.0243 -.4338 .3950 .3025 .3411 -.0425 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.1261 .1443 .4070 .5571 .4946 .2569 174 GLU 380 .5470 -.4584 999.9900 -1.0323 -.1261 -.2675 -.9153 .3933 -.1519 -.2653 175 ALA 381 .8241 999.9900 999.9900 999.9900 .4419 .6330 .6341 .6756 .6583 .6439 176 ALA 382 .6648 999.9900 999.9900 999.9900 .6708 .6678 .0939 .6174 .3993 .5117 177 ALA 383 .7636 999.9900 999.9900 999.9900 -.0434 .3601 .5655 .6355 .6063 .4803 178 LEU 384 .8182 -.4018 999.9900 999.9900 -.9806 -.1881 .5012 .0809 .2561 .0036 179 VAL 385 .3707 999.9900 -.2457 999.9900 -1.1891 -.3547 .3968 .5319 .4756 -.0271 180 ASP 386 .8349 -.7325 999.9900 999.9900 .6856 .2627 .5817 .6586 .6266 .4057 181 GLY 387 .7290 999.9900 999.9900 999.9900 .2782 .5036 .5708 .6182 .5972 .5491 182 LEU 388 -.4552 -1.9410 999.9900 999.9900 -.7775 -1.0579 .3411 -.1457 .0572 -.5956 183 ARG 389 -1.4842 -.1448 999.9900 .7862 .4407 .0768 -1.1611 -.8897 -1.0028 -.2381 184 ARG 390 -1.0149 -2.8571 999.9900 1.2696 -.4506 -.3567 -.7402 .4949 -.0197 -.2898 185 GLU 391 -1.1499 -.5578 999.9900 -1.0323 .3223 -.6044 .4934 -.0373 .1838 -.3269 186 PRO 392 -3.3827 999.9900 999.9900 999.9900 .6188 -1.3819 .4022 .5644 .4968 -.4493 187 GLY 393 -2.9723 999.9900 999.9900 999.9900 .5429 -1.2147 -.0766 .6848 .3464 -.4553 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.4277 .4207 -.0035 -.0035 Means: .1057 -.1349 -.1067 .4540 .1692 .1270 .2407 .3920 .3286 .2016 2.00 refined_10