NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 285 N 4.5936 8.4131 118.1250 52.8211 39.7142 174.0130 286 G 3.5368 8.5948 112.7692 45.1278 0.0000 170.8498 287 H 4.2325 8.8488 128.0346 57.8763 32.3545 172.4285 288 L 4.6644 7.8369 120.1744 53.8661 42.3875 175.9198 289 Q 4.3062 8.6056 127.1137 55.6086 29.9939 175.1409 290 H 4.9144 8.7680 121.3575 55.3176 30.4053 175.4278 291 H 5.0569 9.1616 119.0438 53.1395 28.9619 171.1676 292 P 4.8573 0.0000 0.0000 61.4060 32.7972 175.1576 293 P 4.4789 0.0000 0.0000 63.0018 31.8172 176.3577 294 M 4.6108 8.3816 122.5198 51.9796 32.3233 173.0028 295 P 4.3040 0.0000 0.0000 61.8676 31.9296 175.1136 296 P 4.1202 0.0000 0.0000 62.8200 31.6377 175.8975 *309 A 4.1837 8.2391 119.9987 51.9304 20.0135 177.5813 310 F 4.7003 7.9330 113.0359 57.9585 39.7930 175.7226 311 Q 4.6367 7.8710 118.5433 53.0086 30.2209 173.6177 312 P 4.4293 0.0000 0.0000 61.6657 31.8494 173.6335 313 P 4.5869 0.0000 0.0000 62.1306 32.0626 176.5859 314 I 3.8404 8.9235 120.5690 63.9171 37.1426 176.8491 315 S 4.6778 7.2996 112.5671 56.4246 65.4453 173.2791 316 N 4.4609 8.8645 123.4762 56.0700 39.1689 174.8806 317 H 3.8941 7.9029 116.8904 55.3527 30.4764 172.4366 318 P 4.4931 0.0000 0.0000 61.7659 32.2393 175.9114 319 A 4.1072 8.5127 123.4907 51.9723 18.7205 175.5763 320 P 4.6772 0.0000 0.0000 61.7979 32.8084 176.3742 321 E 3.9901 8.5303 115.8601 58.0976 29.9734 176.2645 322 Y 5.2634 7.4672 115.5155 55.6554 41.1087 175.3782 323 W 4.7763 9.0462 120.6048 58.7001 29.9589 175.3407 324 C 4.8602 6.9850 113.9933 57.3292 32.3596 172.7162 325 S 4.8880 8.6987 113.2988 56.5769 66.3182 172.9081 326 I 5.0714 9.1678 123.6134 59.4714 40.4226 174.0902 327 A 4.9352 8.8464 128.6150 50.2625 21.6473 174.3622 328 Y 5.0803 8.4927 123.6016 56.2629 41.1161 174.2767 329 F 4.5416 8.7069 123.9844 55.3572 43.6132 174.0900 330 E 5.0689 8.6779 120.8670 53.2582 31.8207 176.7316 331 M 3.5429 8.9226 128.7678 56.9383 30.6406 177.9028 332 D 5.0774 8.9688 125.2071 53.8969 39.9169 175.5584 333 V 4.3600 7.6291 119.0963 61.6053 33.7767 174.1087 334 Q 3.7013 8.4913 128.1704 54.8387 29.5449 174.6287 335 V 3.9771 7.7571 125.7538 62.3259 32.5418 176.2463 336 G 3.9301 8.7407 113.8449 44.9401 0.0000 171.7699 337 E 4.3082 8.1482 118.4386 55.3980 30.6612 176.2757 338 T 4.2208 7.9757 116.8238 63.3327 69.4189 174.4271 339 F 3.9614 8.9975 129.4883 56.8855 40.5521 174.3481 340 K 4.2539 7.4476 125.4799 54.5015 34.0173 176.1337 341 V 4.2474 7.7607 124.2874 60.2509 33.5483 172.9624 342 P 4.9896 0.0000 0.0000 63.1543 31.8239 178.0008 343 S 4.2160 9.0709 120.5970 61.1506 62.9484 175.4356 344 S 4.5742 8.0886 113.1370 58.8203 63.4572 174.3488 345 C 4.9507 8.9014 120.9011 56.9219 27.9187 172.4579 346 P 3.9277 0.0000 0.0000 64.7545 32.2033 176.7718 347 I 5.2474 7.7388 120.8269 59.6757 40.2303 175.0475 348 V 4.9304 9.2098 127.0957 60.2694 34.3133 174.7724 349 T 5.0215 8.9587 119.7688 61.9367 71.6770 173.4896 350 V 5.1059 9.1198 125.7996 60.3713 33.5285 173.5882 351 D 5.1781 8.2262 128.5966 50.9838 43.2493 176.7277 352 G 3.9379 8.8375 105.7597 46.8998 0.0000 174.0334 353 Y 4.4666 8.6053 121.0656 56.8419 40.6939 176.1008 354 V 4.4532 8.4910 111.1949 61.5810 33.5305 175.3465 355 D 4.4275 8.1275 120.7666 53.7562 41.5792 174.0545 356 P 4.5943 0.0000 0.0000 64.8397 32.3673 178.9641 357 S 4.0197 9.0756 116.3208 60.7586 63.0269 175.3886 358 G 4.1186 7.4532 105.3305 45.1366 0.0000 172.8545 359 G 3.8933 9.1377 114.1711 45.7616 0.0000 173.7241 360 D 5.1587 9.4531 122.0351 52.9170 41.4420 176.2878 361 R 4.9742 8.0880 119.1254 55.1856 33.3016 173.7394 362 F 4.4554 9.5300 130.4308 56.5511 40.8560 174.1569 363 C 4.5052 8.5996 124.0372 58.8767 29.2075 173.8904 364 L 4.1015 7.6441 121.2445 54.3612 43.2146 179.1714 365 G 3.5225 8.0731 107.2387 47.3954 0.0000 174.5592 366 Q 4.2320 7.7181 115.3086 56.4230 29.4918 176.0889 367 L 4.0866 7.3056 120.0149 55.0564 42.1217 176.7705 368 S 4.6315 8.0385 118.2620 57.4189 65.0673 173.9660 369 N 4.3222 8.0978 115.0634 53.0899 39.3984 175.1268 370 V 3.7827 8.4410 120.0127 64.0299 31.7673 177.1283 371 H 4.7507 8.0064 114.1643 55.2705 29.3807 175.1962 372 R 3.8523 7.9240 120.9275 57.2743 30.2443 176.1967 373 T 4.5715 8.1106 114.4223 60.0082 72.5978 174.7329 374 E 4.0737 8.5289 119.2367 58.2505 29.5855 178.0727 375 A 4.0871 7.8452 120.5996 55.3477 18.8763 179.3963 376 I 3.7392 7.6256 117.9033 64.3236 36.8393 178.6645 377 E 3.9458 7.7853 118.9772 59.3044 29.6795 179.0733 378 R 4.0446 7.6880 117.8610 59.2358 30.1108 178.8713 379 A 4.0279 8.1159 120.2440 55.5153 18.6580 179.7814 380 R 3.8263 8.2482 116.4786 59.3572 29.8151 179.2411 381 L 3.9699 7.3576 117.7764 57.7874 41.7239 178.3619 382 H 4.6433 8.0406 113.3638 56.4080 29.2223 177.0629 383 I 3.7619 7.3632 122.3068 63.8213 37.4125 176.7555 384 G 3.7001 8.5379 108.5965 46.1741 0.0000 176.4042 385 K 4.2456 9.1321 123.7095 57.0769 33.3033 178.2909 386 G 3.8100 7.9209 108.3428 46.5624 0.0000 176.1785 387 V 5.1510 8.7979 118.3697 60.0258 36.8267 171.9458 388 Q 5.1891 9.0490 120.3168 54.2843 32.1474 174.8483 389 L 5.2539 9.1352 124.1663 53.2688 44.1638 174.8784 390 E 5.1427 9.6189 126.3450 54.5007 32.1252 174.0662 391 C 4.8237 8.7961 128.5677 57.9929 32.1157 172.8723 392 K 4.3805 8.9958 126.2047 54.9569 34.6615 177.5731 393 G 3.8229 8.6185 109.4641 46.6342 0.0000 174.4674 394 E 4.1007 9.0770 119.9856 59.3619 29.8961 178.7620 395 G 4.3218 7.4814 102.1252 45.6091 0.0000 173.5847 396 D 5.0664 8.6604 120.9569 53.8680 42.5209 175.8343 397 V 5.0836 8.7768 120.8042 61.1108 34.8193 174.4127 398 W 5.0150 9.7994 126.9345 54.8086 32.9928 174.4831 399 V 5.0827 8.5443 121.5322 61.2230 34.4639 174.4021 400 R 5.0580 9.1817 127.5602 54.6157 32.8104 174.1561 401 C 4.4960 8.9777 128.6030 59.6491 31.5336 173.5186 402 L 4.5982 8.6381 126.3177 55.4909 42.3944 177.2955 403 S 4.4588 8.1542 113.6679 58.2865 62.7125 174.0413 404 D 4.5693 8.8776 122.2768 56.1370 41.1404 176.3530 405 H 5.1074 8.0413 115.5123 53.5610 30.3477 174.7459 406 A 4.2449 8.5799 122.4566 52.1622 19.6157 176.6432 407 V 4.6742 8.3148 120.4426 61.3139 34.6043 174.8848 408 F 4.8227 9.3057 125.0380 55.8253 41.1446 174.8783 409 V 4.5878 8.9366 124.9110 62.0280 33.8708 174.8869 410 Q 4.8786 9.3163 127.1638 54.3456 31.1486 173.5250 411 S 4.5211 8.2386 120.4290 55.8488 65.3654 174.3645 412 Y 4.9860 8.6720 126.0522 60.7448 37.5758 177.8199 413 Y 4.0888 8.1696 120.2869 60.8248 38.8699 177.6679 414 L 3.6389 7.6023 118.7436 57.8359 41.9257 179.2147 415 D 4.5395 8.0147 118.6100 57.5106 40.8867 178.6812 416 R 3.8582 7.8766 118.8897 59.6450 29.8614 178.3553 417 E 3.8895 8.0893 116.8710 58.1465 29.2639 178.0408 418 A 4.6044 7.8461 119.8123 50.7865 19.0892 177.3814 419 G 3.9406 7.6684 105.4406 46.9111 0.0000 174.4902 420 R 4.4342 7.1364 117.8621 54.0248 32.0226 176.2917 421 A 4.2267 8.1132 121.9790 50.8936 19.2156 175.2752 422 P 4.5749 0.0000 0.0000 64.6320 31.4121 177.1025 423 G 4.0014 9.5055 111.2490 45.7488 0.0000 173.2624 424 D 4.7525 8.5041 120.5064 49.8943 39.8877 174.9483 425 A 4.4269 6.5435 127.2670 51.3595 21.8071 176.4500 426 V 3.9228 7.6108 120.4807 61.2607 34.4257 174.4259 427 H 5.0007 8.8763 126.6113 54.4267 29.8686 174.4851 428 K 3.8746 8.8710 127.1862 55.6787 33.4010 175.5383 429 I 4.7925 8.5057 129.5983 59.6871 38.9023 175.0794 430 Y 4.3999 8.7054 125.7130 56.7781 39.1889 174.0813 431 P 4.3610 0.0000 0.0000 64.7220 31.8019 176.8990 432 S 4.3891 9.3085 117.3528 58.0268 63.4986 169.5308 433 A 4.2700 8.1468 123.6080 52.5740 19.5037 176.2223 434 Y 5.3605 8.9901 120.9602 54.6353 40.6100 174.0132 435 I 4.7330 8.0331 118.5876 58.1168 41.6115 174.8337 436 K 2.9568 7.4799 125.5305 56.4165 32.0108 176.7298 437 V 4.4176 7.8445 118.6533 60.9847 33.1070 175.5890 438 F 4.2861 7.0773 121.6958 57.0604 43.0288 171.8557 439 D 4.4565 7.0227 125.3383 51.9184 43.2162 175.4582 440 L 3.7122 8.2147 128.7121 58.5190 41.9432 179.1625 441 R 3.8681 7.9073 116.8840 59.3706 30.2282 178.4823 442 Q 3.9326 7.8852 118.7449 59.4133 28.8940 178.2143 443 C 4.0692 8.1888 119.8412 62.6571 31.6827 174.8112 444 H 4.0783 8.7812 120.1446 59.4014 29.4948 177.0466 445 R 3.8500 8.1713 119.8865 59.5150 29.9705 178.5446 446 Q 3.9452 7.9015 118.6503 59.7029 28.8729 178.2811 447 M 3.9917 8.2094 119.4764 58.7665 32.0608 178.5630 448 Q 3.7829 7.9542 117.7252 59.2084 28.8188 179.1719 449 Q 3.8800 8.0004 120.1424 59.3531 29.1744 178.0292 450 Q 3.9489 8.7185 119.0647 58.9288 28.7609 178.9624 451 A 3.9462 8.7697 122.3150 55.1024 18.4235 179.4537 452 A 3.8929 7.9965 119.0560 55.7246 18.6590 179.6302 453 T 3.7972 8.1731 114.2659 66.9909 68.6544 176.3989 454 A 3.9141 8.2024 122.1804 55.3869 18.4078 179.2229 455 Q 3.8881 8.2271 117.7813 59.4622 28.8357 179.3167 456 A 3.9623 8.0828 121.3455 54.9823 18.6510 179.2169 457 A 4.0819 7.8541 117.4913 54.1990 18.3284 179.2194 458 A 3.9921 7.8553 119.9175 54.7369 18.7361 179.5086 459 A 4.0678 8.0359 118.0500 54.1744 18.4457 179.6107 460 A 3.9216 8.1229 120.1768 55.4407 18.7061 179.9052 461 Q 3.9923 8.0364 115.6084 58.6873 28.5383 178.9025 462 A 4.0548 8.0451 121.8757 55.2673 18.3467 179.3911 463 A 4.1896 8.1921 117.1155 52.7270 18.6770 179.3248 464 A 4.0014 8.1116 119.3022 53.2325 18.1379 178.6946 465 V 3.5587 5.4500 113.4246 63.1924 32.8554 177.4636 466 A 3.9024 7.3912 121.0996 51.8210 18.5990 176.6778 *479 A 4.2119 8.2717 125.4494 51.3086 20.4254 175.3912 480 P 4.5938 0.0000 0.0000 62.8084 31.6750 177.3696 481 A 4.5996 8.4624 120.7633 50.4216 19.0283 175.0887 482 I 4.7760 7.8118 120.6801 60.4009 41.7075 174.7020 483 S 5.1569 8.7408 120.7716 56.8940 65.7918 173.2785 484 L 4.9998 8.5177 120.8080 53.5696 45.5133 175.8419 485 S 4.9270 8.2379 114.7778 57.1452 67.5119 174.0119 486 A 4.0243 8.6642 126.8910 51.6075 18.7688 176.9451 487 A 3.8850 8.6837 125.0051 52.4870 18.6540 177.1799 488 A 4.1843 8.4824 128.6058 50.3303 17.3127 176.3980 489 G 3.9273 8.0732 114.1929 45.2576 0.0000 172.3551 490 I 3.8314 7.8425 112.7800 61.3411 38.9147 176.2011 491 G 4.0855 8.7577 108.4899 46.5416 0.0000 175.5942 492 V 3.5799 7.4652 120.4895 65.5299 31.5708 177.5010 493 D 4.5785 8.0867 116.2959 55.7298 40.9878 176.3009 494 D 4.6975 7.8540 117.7006 56.6509 42.0788 178.3016 495 L 3.8239 7.7307 119.5872 57.4058 41.5386 179.5557 496 R 3.9492 8.0431 116.3532 59.4303 29.2126 178.9477 497 R 3.7787 7.5953 118.4175 59.1987 29.8497 178.5014 498 L 4.4346 7.7317 116.8360 56.5745 41.9365 177.2211 499 C 4.8364 8.7364 116.6975 59.2754 29.6587 172.9764 500 I 4.9720 7.6577 120.2213 59.5230 39.5872 175.2051 501 L 4.8269 9.1696 126.6152 53.6120 44.7931 175.5430 502 R 5.3489 8.2349 116.8668 55.6033 35.2915 174.3341 503 M 5.2553 8.9015 118.0243 54.4726 35.1259 173.1739 504 S 5.1727 9.2959 117.9928 56.6820 64.5180 173.4226 505 F 4.6568 8.8423 126.0815 58.3201 39.3476 175.2399 506 V 3.5176 8.2832 118.2012 64.1371 31.9932 172.8471 507 K 4.2067 7.8550 118.1625 55.0817 33.2722 176.5788 508 G 2.1889 7.1427 111.1211 42.6450 0.0000 171.5506 509 W 4.7916 6.9705 115.4403 53.9047 31.3937 172.7508 510 G 3.6613 9.6935 103.6345 43.5735 0.0000 172.4731 511 P 4.1665 0.0000 0.0000 66.0845 31.1168 178.0177 512 D 4.2839 8.0385 115.6345 56.2355 40.8312 175.6575 513 Y 4.8217 7.6714 116.0203 54.9509 41.1796 173.9857 514 P 4.3843 0.0000 0.0000 65.6261 31.9657 177.2397 515 S 4.4658 8.0276 116.2097 58.2112 63.0643 174.8825 516 Q 4.0850 8.8775 125.9012 57.6624 28.9440 175.6403 517 S 4.6114 7.4360 110.6062 55.9586 66.4092 174.1900 518 I 2.4506 6.7893 118.5928 62.8007 37.4647 177.3018 519 K 4.0694 6.5225 118.5598 58.0904 31.7458 177.1004 520 E 4.5347 7.4099 117.8597 55.9787 30.2419 175.6177 521 T 4.5824 7.5799 110.9270 59.0239 70.9040 173.9783 522 P 4.2469 0.0000 0.0000 66.2612 31.4460 175.4911 523 C 5.0099 7.8979 113.1172 57.3514 31.6648 173.0430 524 W 5.7636 9.0166 121.3933 54.6563 32.2641 173.7457 525 I 5.3199 9.0150 111.8965 59.2568 41.1673 173.9398 526 E 4.9997 9.7334 125.0113 54.8017 32.1083 174.6024 527 I 4.6581 8.9692 129.4370 60.5033 39.1385 174.6245 528 H 4.8915 9.1868 125.7848 54.2673 30.4471 174.3145 529 L 4.5978 8.5001 124.8634 54.3680 42.3842 177.9197 530 H 4.2927 9.2828 122.5935 58.9353 28.5681 177.9615 531 R 4.2217 8.2100 119.6306 58.9954 29.8178 178.3379 532 A 4.1834 8.0168 120.4940 55.1763 18.7356 179.4257 533 L 3.9884 7.7656 117.2299 57.7080 41.4817 179.8926 534 Q 3.9057 8.6144 118.6365 59.1105 28.6970 178.1586 535 L 3.9634 7.6105 119.5360 57.8720 41.7247 179.0842 536 L 3.8977 8.2308 119.8637 58.5297 42.0033 178.7312 537 D 4.2088 7.9765 117.3174 57.5603 40.9938 177.7997 538 E 3.9746 8.1903 118.4046 59.2504 29.6636 178.8651 539 V 3.7630 8.1719 118.7570 65.9913 31.4918 178.0747 540 L 4.0266 8.1343 117.5788 57.6033 41.4276 178.2041 541 H 4.9147 7.9399 114.3876 55.7681 28.7594 175.4447 542 T 4.6117 7.8528 110.5459 61.4879 68.9219 173.6729 543 M 4.6681 7.7160 120.2022 53.0913 34.3414 174.1151 544 P 4.2228 0.0000 0.0000 62.8321 31.9208 176.4303 545 I 3.7877 8.2342 123.1597 60.6404 38.5685 176.5759 546 A 4.2132 8.3012 129.9907 52.6042 15.6458 174.3475 547 D 4.6282 8.1256 118.7070 52.4008 41.8838 174.0575 548 P 4.2730 0.0000 0.0000 61.7302 32.3348 175.4612 549 Q 4.5508 9.1545 126.0395 53.3046 31.2644 173.4537 550 P 4.9620 0.0000 0.0000 62.5160 31.1339 176.3562 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 285 N 8.41 4.59 0.00 2.71 2.84 0.00 0.00 6.91 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 G 8.59 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 H 8.85 4.23 0.00 3.21 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 L 7.84 4.66 0.00 1.73 1.60 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 289 Q 8.61 4.31 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.67 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 290 H 8.77 4.91 0.00 3.11 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 H 9.16 5.06 0.00 3.27 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 P 0.00 4.86 0.00 1.96 1.71 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 293 P 0.00 4.48 0.00 2.26 2.28 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 294 M 8.38 4.61 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 295 P 0.00 4.30 0.00 2.19 2.09 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 296 P 0.00 4.12 0.00 2.07 2.11 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 *309 A 8.24 4.18 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 F 7.93 4.70 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 311 Q 7.87 4.64 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 312 P 0.00 4.43 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 313 P 0.00 4.59 0.00 2.40 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 314 I 8.92 3.84 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.37 0.68 0.00 0.00 315 S 7.30 4.68 0.00 3.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 316 N 8.86 4.46 0.00 2.74 2.83 0.00 0.00 6.93 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 317 H 7.90 3.89 0.00 3.20 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 P 0.00 4.49 0.00 2.24 2.04 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 319 A 8.51 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 F 8.71 4.54 0.00 1.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 330 E 8.68 5.07 0.00 1.63 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.78 0.00 331 M 8.92 3.54 0.00 2.27 1.43 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 332 D 8.97 5.08 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 V 7.63 4.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 334 Q 8.49 3.70 0.00 1.22 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.00 335 V 7.76 3.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.80 0.00 0.00 336 G 8.74 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.15 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 362 F 9.53 4.46 0.00 1.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 363 C 8.60 4.51 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 L 7.64 4.10 0.00 1.01 0.57 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 365 G 8.07 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 366 Q 7.72 4.23 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 367 L 7.31 4.09 0.00 1.61 1.68 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 368 S 8.04 4.63 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 N 8.10 4.32 0.00 2.72 2.64 0.00 0.00 6.86 7.71 0.00 0.00 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0.00 0.00 0.00 2.34 2.54 0.00 378 R 7.69 4.04 0.00 1.96 2.01 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 379 A 8.12 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 R 8.25 3.83 0.00 2.05 1.97 0.00 3.39 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 381 L 7.36 3.97 0.00 1.81 1.43 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 382 H 8.04 4.64 0.00 3.07 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 383 I 7.36 3.76 1.60 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.13 0.00 0.00 384 G 8.54 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 385 K 9.13 4.25 0.00 1.92 1.94 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.44 7.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 395 G 7.48 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 396 D 8.66 5.07 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 397 V 8.78 5.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.25 0.00 0.00 398 W 9.80 5.02 0.00 3.29 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 V 8.54 5.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 400 R 9.18 5.06 0.00 2.21 1.93 0.00 3.11 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 401 C 8.98 4.50 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 402 L 8.64 4.60 0.00 1.77 1.74 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 403 S 8.15 4.46 0.00 4.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 D 8.88 4.57 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 H 8.04 5.11 0.00 3.15 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 A 8.58 4.24 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 407 V 8.31 4.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.12 0.00 0.00 408 F 9.31 4.82 0.00 3.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 V 8.94 4.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 410 Q 9.32 4.88 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 411 S 8.24 4.52 0.00 3.91 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 412 Y 8.67 4.99 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 413 Y 8.17 4.09 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 L 7.60 3.64 0.00 1.18 1.09 0.61 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 415 D 8.01 4.54 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 416 R 7.88 3.86 0.00 2.03 1.87 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 417 E 8.09 3.89 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 418 A 7.85 4.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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497 R 7.60 3.78 0.00 1.89 2.29 0.00 3.47 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 498 L 7.73 4.43 0.00 1.83 1.83 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 499 C 8.74 4.84 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 500 I 7.66 4.97 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.64 0.90 0.00 0.00 501 L 9.17 4.83 0.00 1.55 1.59 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 502 R 8.23 5.35 0.00 1.72 1.67 0.00 3.20 0.00 0.00 2.89 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 503 M 8.90 5.26 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.36 0.00 504 S 9.30 5.17 0.00 3.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 F 8.84 4.66 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 V 8.28 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.14 0.00 0.00 507 K 7.85 4.21 0.00 1.77 1.60 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.39 7.81 508 G 7.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 W 6.97 4.79 0.00 3.32 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 G 9.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 P 0.00 4.17 0.00 1.98 2.11 0.00 3.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 512 D 8.04 4.28 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 Y 7.67 4.82 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 P 0.00 4.38 0.00 2.21 2.21 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 515 S 8.03 4.47 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 Q 8.88 4.08 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 517 S 7.44 4.61 0.00 3.60 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 I 6.79 2.45 0.56 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 -1.14 0.00 0.00 519 K 6.52 4.07 0.00 1.78 1.82 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.01 7.81 520 E 7.41 4.53 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 521 T 7.58 4.58 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 522 P 0.00 4.25 0.00 2.32 2.43 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 523 C 7.90 5.01 0.00 3.45 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 W 9.02 5.76 0.00 3.46 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 I 9.02 5.32 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.28 0.00 0.00 526 E 9.73 5.00 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 527 I 8.97 4.66 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.84 0.00 0.00 528 H 9.19 4.89 0.00 3.26 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 L 8.50 4.60 0.00 1.50 1.47 0.88 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 530 H 9.28 4.29 0.00 3.38 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 R 8.21 4.22 0.00 2.04 2.06 0.00 3.36 0.00 0.00 3.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 532 A 8.02 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 L 7.77 3.99 0.00 1.84 1.75 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 534 Q 8.61 3.91 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 535 L 7.61 3.96 0.00 1.94 1.83 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 536 L 8.23 3.90 0.00 1.78 1.73 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 537 D 7.98 4.21 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 E 8.19 3.97 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 539 V 8.17 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 540 L 8.13 4.03 0.00 1.72 1.75 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 541 H 7.94 4.91 0.00 3.14 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 T 7.85 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 543 M 7.72 4.67 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 544 P 0.00 4.22 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 545 I 8.23 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.91 0.00 0.00 546 A 8.30 4.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 D 8.13 4.63 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 P 0.00 4.27 0.00 1.98 1.99 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 549 Q 9.15 4.55 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 550 P 0.00 4.96 0.00 2.11 2.02 0.00 3.46 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.