NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 419 E 4.1856 8.4449 118.7472 56.1647 29.7337 174.6386 420 F 4.5675 8.0656 123.8667 54.9798 40.5194 173.9515 421 P 4.2945 0.0000 0.0000 62.9173 32.4780 175.5882 422 E 4.1154 8.6549 124.4601 55.7177 30.2758 175.8386 423 I 3.9058 8.2859 127.4715 60.1847 37.5152 176.4985 424 T 4.0797 8.0217 116.5457 61.3983 70.7431 174.8607 425 E 4.1857 8.7053 121.1469 59.6998 29.3757 179.5669 426 E 4.0565 8.1313 118.2869 59.4471 29.5575 179.0494 427 M 4.5223 7.6899 118.7892 58.3245 32.1442 178.3598 428 E 4.0213 8.7460 119.7250 59.0235 29.5504 178.8607 429 K 4.0155 8.2176 120.0227 59.4357 32.0535 178.6873 430 E 4.0696 7.7187 116.6446 59.4063 29.7980 179.1391 431 I 4.0183 8.1393 119.9345 64.3642 37.1627 178.4692 432 K 4.1522 8.3550 119.4574 59.5989 31.6660 178.6466 433 N 4.3223 7.8012 116.1125 56.9473 38.9792 176.8723 434 V 3.8912 7.2833 110.0908 61.9630 32.2060 176.6703 435 F 4.5665 7.7591 120.5260 56.5753 37.8408 175.6557 *436 R 4.6074 7.9095 124.0508 55.2725 33.2732 173.6460 *437 N 4.6655 8.6629 115.4349 52.3854 38.2914 175.2108 438 G 4.0888 10.2524 111.9504 44.0352 0.0000 173.6972 *439 N 4.1569 8.7969 116.0974 53.3617 34.6625 176.5448 440 Q 4.0678 7.7378 122.7579 59.2966 29.6822 178.8216 *441 D 4.7328 7.8946 114.1699 52.9422 40.3537 180.3269 442 E 3.9506 7.7390 121.2588 57.0689 30.0508 175.9542 443 V 4.0107 8.2422 126.1666 62.4863 31.6848 174.9465 444 L 4.3918 8.3468 128.0066 56.4897 42.9347 176.9220 445 S 4.5352 7.3445 110.8698 57.3365 66.2743 172.9821 446 E 5.1179 8.0880 120.1574 56.3525 31.8924 174.4741 447 A 3.9642 8.9981 128.3576 52.3429 22.7780 175.0869 448 F 3.7912 8.6221 115.4240 59.7447 36.4375 176.0757 449 R 3.7339 7.9815 113.2204 56.9818 28.4688 176.6861 450 L 4.6423 7.8308 118.2842 53.9949 43.2525 175.5571 451 T 4.8445 8.4081 115.6116 62.2352 72.1382 173.5321 452 I 4.5833 8.6673 128.1560 59.9221 39.2645 175.5010 453 T 4.6905 8.4257 117.3214 59.5825 71.6187 175.4532 454 R 3.7022 8.2505 120.9818 59.6071 29.5762 178.2836 455 K 4.0585 7.5689 118.5273 59.3405 32.4753 178.3846 456 D 4.4846 7.6193 118.0968 57.4677 40.7285 178.7979 457 I 3.6319 7.7459 120.3782 64.3534 37.0336 178.3790 458 Q 4.2045 8.3232 119.4118 59.1272 28.3351 178.6592 459 T 4.1938 7.7579 108.8501 63.3897 68.7838 175.2008 460 L 4.4189 7.7309 121.0415 54.0752 42.6645 175.9915 461 N 4.3846 8.0931 119.0872 53.2879 39.7809 175.3471 462 H 4.1896 8.5707 118.6924 58.8071 28.7452 177.0052 463 L 4.6667 7.7779 116.4102 54.7511 41.9497 175.8245 464 N 5.3022 7.8069 114.8065 51.3018 41.4043 174.1231 465 W 4.9145 8.7746 120.0982 54.8821 30.7032 176.6096 466 L 4.0356 8.5766 123.6347 54.9038 41.4434 177.6221 467 N 4.9198 8.5578 121.9980 52.0869 40.1896 175.9429 468 D 4.2835 8.5822 119.2495 57.3225 40.6932 178.8310 469 E 3.9990 8.2232 118.8639 59.4547 29.4597 178.7956 470 I 3.6598 8.1228 119.7459 64.7169 37.1161 178.3949 471 I 3.5199 7.3264 119.9061 64.5180 36.9227 178.3062 472 N 4.2192 8.6997 117.5886 56.2312 38.2748 177.2051 473 F 3.8721 8.5604 122.3133 61.3314 39.4097 176.6213 474 Y 4.0295 8.4147 119.4230 61.0137 38.6780 177.5121 475 M 3.7868 8.2148 119.9036 58.7031 31.9685 178.6279 476 N 3.7674 7.8130 116.2398 56.1009 38.3590 177.4378 477 M 3.8681 7.4419 120.3566 58.1785 31.7444 178.7674 478 L 3.7380 7.3268 118.6607 57.4670 41.9739 179.0221 479 M 3.9945 7.5963 118.2794 58.5475 32.1711 177.9834 480 E 3.8979 8.1466 118.9597 59.6485 29.7238 179.1212 481 R 3.8938 8.0149 118.8365 59.8391 29.7446 178.2894 482 S 4.2066 7.6045 111.8582 60.6228 63.1070 176.1498 483 K 4.0387 8.1055 122.1625 58.0286 32.3624 177.1917 484 E 4.0535 7.9669 122.6103 56.4042 29.9359 177.4944 *485 K 4.2727 8.4012 125.0391 55.7476 32.4321 174.4101 486 G 4.1990 8.8822 109.4121 45.3392 0.0000 173.8982 487 L 4.5307 7.2692 118.8094 52.3154 42.9144 174.8159 488 P 4.3927 0.0000 0.0000 62.4291 32.1953 176.3262 489 S 4.3355 8.6231 116.7272 58.8591 64.1436 173.1982 490 V 4.8776 8.1851 121.1819 61.5633 34.6010 173.5502 491 H 4.8167 9.7657 127.1873 54.1137 32.7997 171.8492 492 A 4.9914 7.8389 126.2755 50.0836 21.2040 175.5740 493 F 4.4851 8.9812 121.8208 56.0251 40.4056 175.7997 494 N 4.8298 8.9087 119.2622 52.8266 37.9788 176.1511 495 T 4.1831 8.4785 109.3431 64.6772 69.2669 175.8339 496 F 4.6959 8.0118 118.2167 58.7804 39.0520 176.8783 497 F 4.2363 8.3759 124.1238 60.9047 39.2532 176.3553 498 F 3.2612 8.5518 119.7462 61.5700 39.2107 177.5224 499 T 3.9899 8.0839 108.6810 64.4505 68.6157 176.2869 500 K 3.8879 7.7669 122.3417 58.7652 32.0845 178.4554 501 L 3.5223 7.3553 121.0352 57.9377 41.5413 178.5709 502 K 3.7446 7.0740 118.7801 59.3053 32.2674 178.6191 503 T 3.9390 7.8560 110.3576 63.8196 68.8403 174.5607 504 A 4.4445 8.0689 121.1890 50.5675 20.6447 176.6991 505 G 4.0905 7.4350 101.6967 46.0990 0.0000 174.7077 506 Y 3.9323 8.2966 120.6940 60.4145 38.8880 178.3150 507 Q 3.9805 8.2106 118.9069 59.3291 29.0689 177.9873 508 A 4.4288 7.7731 118.3445 52.1788 18.9764 177.8774 509 V 2.9839 7.5504 110.9786 60.6692 33.4575 177.4177 510 K 4.0415 7.4317 120.1655 58.1961 32.2655 177.7618 511 R 4.6130 8.0238 115.6946 57.0026 30.0180 176.6858 512 W 4.7959 8.1941 118.8223 57.4945 30.3463 177.1426 513 T 4.6764 7.6931 107.8206 61.0180 68.5857 176.2307 514 K 3.8714 8.5418 123.6374 60.3950 32.0753 177.4489 515 K 4.3312 8.0136 114.8275 56.1105 33.2843 175.8142 516 V 4.1421 7.8349 120.9107 61.2387 32.9207 174.6706 517 D 4.7161 8.4375 127.1618 52.5946 40.4348 176.3394 518 V 3.5277 8.5504 126.9636 66.0145 31.5631 177.3832 519 F 4.1715 8.4513 116.8518 59.2489 39.0880 176.3677 520 S 4.7762 7.8954 114.7172 58.2965 62.7668 174.2783 521 V 4.6688 7.5950 112.7579 60.2208 35.6057 175.1516 522 D 4.8148 10.0425 124.5156 57.3217 41.8948 176.8483 523 I 5.1157 8.0494 117.5343 59.4461 42.0112 174.4403 524 L 5.1168 9.0430 126.2239 52.9804 44.4649 175.2341 525 L 5.0354 9.1990 124.7412 53.1932 44.1066 175.8005 526 V 4.8777 8.7323 123.5861 60.1913 34.1562 172.5239 527 P 4.8344 0.0000 0.0000 62.9050 32.1182 175.6848 528 I 4.3152 8.6963 126.3400 59.8334 38.9186 174.0864 529 H 4.2411 8.7681 127.6068 54.6418 31.1478 174.9213 530 L 4.5001 8.2852 125.5528 53.0637 44.1114 179.0681 531 G 3.8851 8.9291 116.0834 45.9643 0.0000 172.3603 532 V 4.0289 8.7831 116.2197 61.1380 34.2606 175.3402 533 H 5.0456 8.0411 120.0717 54.6379 31.2433 173.3064 534 W 5.4465 7.9362 121.5232 55.4288 32.7123 174.4480 535 C 5.0761 9.1283 120.9796 58.6499 32.5168 172.1578 536 L 5.1210 8.1360 119.3879 54.3449 45.6668 174.8377 537 A 5.3442 9.4336 127.6424 50.1277 22.4573 174.9475 538 V 5.2862 8.9891 121.2036 60.0958 34.9351 174.3793 539 V 4.5835 8.4327 127.8410 61.5379 32.9439 173.8667 540 D 5.1452 8.2864 128.9961 52.8204 41.5467 176.9549 541 F 5.0034 9.4932 127.0653 60.7199 39.0071 177.4191 542 R 4.1227 8.4138 118.3423 58.6431 29.9868 177.0732 543 K 4.2773 8.2412 114.1969 54.9538 32.8380 176.5296 544 K 2.0000 7.1398 116.1361 55.0776 30.9307 173.3448 545 N 4.2528 6.2403 118.8274 53.0611 39.4977 173.9597 546 I 4.8082 8.0412 112.0974 59.9573 39.5240 175.1604 547 T 3.9999 8.8175 121.1285 61.6248 72.6905 172.4427 548 Y 4.9323 7.8630 126.0669 56.2047 41.4444 174.0511 549 Y 4.5734 8.8586 126.6200 56.7782 39.2857 174.6401 550 D 5.2471 8.5553 124.4214 52.5376 44.2485 176.6033 551 S 4.8558 8.8686 115.5078 58.3423 63.9882 174.4498 552 M 4.5814 8.4471 120.2926 54.8715 32.2482 175.3007 553 G 3.9664 7.7834 105.9466 45.3704 0.0000 173.4056 554 G 4.8451 7.7789 110.0775 43.7365 0.0000 169.5205 555 I 4.5643 8.0131 119.7172 59.5069 40.0119 176.5072 556 N 4.7898 7.9566 122.1537 53.2046 40.1237 173.4290 557 N 4.4050 8.0977 120.5411 55.0933 39.9285 177.4878 558 E 3.9489 8.4017 117.8373 59.5225 29.5651 178.6199 559 A 4.3635 7.7460 119.1506 56.0839 18.3770 179.5809 560 C 4.2287 7.8572 114.1817 62.6443 27.4517 176.3589 561 R 4.1579 7.8115 119.0787 58.7867 30.1597 178.4864 562 I 4.2350 8.3163 119.9790 64.5242 36.9411 178.3353 563 L 4.2733 7.9675 119.2887 57.3945 41.6439 179.0316 564 L 3.9750 7.6516 119.7790 58.0381 42.0655 178.5434 565 Q 3.9410 9.4354 119.9245 59.5568 28.8585 177.9953 566 Y 4.0832 8.3436 120.5671 60.6482 38.6108 177.9278 567 L 3.8511 8.2288 118.9386 57.8380 41.8341 179.1609 568 K 4.1206 7.6064 117.8586 60.0358 32.2013 179.0851 569 Q 3.6577 7.8526 117.5264 58.0593 28.5140 177.8042 570 E 4.8892 8.0671 124.2281 58.0497 29.7490 176.9648 *571 S 4.4810 7.7902 117.1469 57.8185 64.3857 178.2573 572 I 3.7069 7.5582 122.6868 64.6348 37.0848 177.9848 573 D 4.3589 7.9825 120.5795 57.0705 41.2464 177.6266 *574 K 4.3689 8.1649 121.6463 56.4195 32.7436 184.3217 *575 K 4.6219 8.2172 123.4512 54.9063 32.7299 179.2852 576 R 4.4131 7.8125 114.8890 57.5100 27.4241 178.6954 577 K 4.6430 7.3008 115.3187 55.1431 35.9245 176.4138 578 E 4.1649 8.5593 122.7670 55.8355 30.4453 175.2939 579 F 4.5873 8.2824 124.2242 55.9302 40.9573 174.6028 580 D 4.2430 7.9245 127.9066 54.5099 41.1998 176.6188 581 T 4.0549 7.9379 120.7773 60.6630 68.7589 175.5097 582 N 4.4898 8.0295 119.5160 54.7909 38.5754 173.9801 583 G 4.0644 8.8257 115.5510 46.3793 0.0000 172.5968 584 W 4.4954 8.6087 118.4812 56.1858 30.2230 175.8555 585 Q 5.0346 8.7186 119.7273 54.2185 32.3475 174.5114 586 L 4.8653 8.6962 120.8505 53.0900 45.1000 176.2439 587 F 4.8354 8.0667 118.8924 55.5081 41.2150 173.5918 588 S 4.8287 8.9180 120.0264 58.2601 62.4518 173.9183 589 K 4.0044 8.7559 126.9968 57.1581 32.6461 178.3298 590 K 4.2484 8.8566 125.5017 54.1164 32.3822 176.1079 591 S 4.2466 8.7837 114.9408 61.6582 62.6229 175.7635 592 Q 4.3034 7.8849 116.8254 57.4418 29.1978 176.6693 593 E 4.1949 7.8237 117.7297 58.0927 29.7967 176.9596 594 I 4.6567 7.2212 110.6113 57.8110 40.5701 172.9528 595 P 4.2227 0.0000 0.0000 63.6210 31.6265 175.8310 596 Q 4.5269 8.4812 121.5937 54.1026 30.7674 175.3773 597 Q 4.1282 7.7768 118.6890 56.1192 29.7524 176.5309 598 M 4.5079 8.6482 113.3647 55.6748 35.4021 175.6476 599 N 4.8545 8.4885 116.9593 51.0738 40.5228 175.7546 600 G 3.7525 8.8428 113.0760 49.0471 0.0000 175.3904 601 S 2.7900 7.2496 113.4912 60.2987 62.6420 175.2979 602 D 4.6522 7.6079 119.2694 54.1648 40.6198 177.7515 603 C 4.2674 8.3476 118.3969 61.5325 29.5273 176.1198 604 G 3.3373 8.1859 107.9109 47.4730 0.0000 175.3267 605 M 3.6506 7.7837 120.3775 58.0471 31.9974 178.2288 606 F 3.4719 8.1340 117.8601 60.6273 39.1098 177.6833 607 A 4.0020 8.0296 119.7718 55.5938 18.2100 179.4681 608 C 4.0522 8.2066 115.4523 62.7251 28.0850 176.4168 609 K 3.7443 8.2296 120.0907 58.7723 31.6997 178.5444 610 Y 4.5098 8.3443 117.4370 61.4625 37.8544 178.7274 611 A 3.9334 8.0284 121.1142 55.2537 18.2312 178.8803 612 D 4.2778 7.7958 115.0795 57.8556 41.4414 178.0243 613 C 4.3163 8.2015 116.7915 63.0151 28.1584 176.1048 614 I 3.7403 7.8323 121.3096 64.8066 36.5868 178.6686 615 T 3.8513 7.8068 108.6083 64.3314 68.4214 175.6151 616 K 4.1518 7.6755 120.0458 56.9127 32.5391 176.8425 617 D 4.9803 8.2604 118.1172 54.1782 40.2024 175.6484 618 R 4.1596 7.5291 116.4856 55.2063 30.6911 174.4809 619 P 4.5549 0.0000 0.0000 62.1364 32.2767 177.2547 620 I 3.9009 8.0852 120.7250 61.6322 35.4184 176.3033 621 N 4.9589 8.1660 127.8418 50.4553 36.7502 173.7796 622 F 4.9740 6.8880 112.0166 56.8813 41.3807 173.3108 623 T 5.0021 8.3507 110.0769 58.7978 72.1656 174.3119 624 Q 4.1011 9.2988 124.2704 60.5581 28.4766 179.4324 625 Q 4.0369 8.2492 120.1048 60.6367 28.3296 180.2694 626 H 4.4096 8.3784 115.5282 56.5233 28.7655 177.3572 627 M 4.0136 7.9681 122.6658 57.6921 31.7664 176.6518 628 P 4.2304 0.0000 0.0000 65.7105 31.5561 177.6647 629 Y 4.0954 7.9347 117.7012 61.0973 38.5809 178.3532 630 F 4.1570 7.8342 118.1272 60.1886 38.7515 178.0445 631 R 3.7485 7.9224 117.9572 59.0580 30.1339 178.6193 632 K 3.8704 7.8203 118.3126 59.9504 32.1006 179.1356 633 R 3.8573 8.3163 118.7156 59.6295 29.7884 178.2268 634 M 3.9595 7.9234 118.1294 58.2136 32.1823 178.1584 635 V 3.5283 7.9806 118.7769 65.7946 31.5269 177.7983 636 W 4.0040 8.1159 127.2568 60.5598 30.5620 177.4275 637 E 4.7874 9.1225 120.3211 59.2504 28.8370 179.7454 638 I 3.8139 8.1040 119.6996 64.2420 36.8976 178.3592 639 L 3.8917 7.6743 118.5249 56.5759 41.5403 177.8812 640 H 4.3470 7.2465 113.6989 53.8645 30.6959 173.6742 641 R 3.8035 7.4319 120.7159 56.4216 29.1005 176.2874 642 K 4.5616 8.3571 118.7158 55.1870 35.8297 174.4893 643 L 4.8241 8.4641 126.3175 53.7024 43.0036 176.6671 644 L 4.2848 9.6486 122.0951 55.1955 41.5596 176.9035 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 419 E 8.44 4.19 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 420 F 8.07 4.57 0.00 2.84 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 P 0.00 4.29 0.00 2.17 2.08 0.00 4.19 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 422 E 8.65 4.12 0.00 1.91 1.81 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 2.26 2.29 0.00 423 I 8.29 3.91 1.86 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 1.21 0.48 0.80 0.00 0.00 424 T 8.02 4.08 4.35 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 1.15 0.00 0.00 425 E 8.71 4.19 0.00 2.08 2.06 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 2.40 2.46 0.00 426 E 8.13 4.06 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 427 M 7.69 4.52 0.00 1.53 2.02 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 428 E 8.75 4.02 0.00 2.10 1.97 0.00 0.00 0.00 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 2.35 0.00 429 K 8.22 4.02 0.00 2.05 2.01 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 430 E 7.72 4.07 0.00 2.46 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 2.44 2.66 0.00 431 I 8.14 4.02 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.31 1.14 0.00 0.00 432 K 8.35 4.15 0.00 2.03 1.93 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 433 N 7.80 4.32 0.00 2.67 3.08 0.00 0.00 7.31 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 V 7.28 3.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.59 0.00 0.00 435 F 7.76 4.57 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *436 R 7.91 4.61 0.00 1.78 1.63 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 *437 N 8.66 4.67 0.00 2.73 2.64 0.00 0.00 6.81 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 G 10.25 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *439 N 8.80 4.16 0.00 2.74 2.76 0.00 0.00 6.69 7.07 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 0.00 440 Q 7.74 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 *441 D 7.89 4.73 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 E 7.74 3.95 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 443 V 8.24 4.01 2.04 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 0.87 0.00 0.00 0.91 0.00 0.00 444 L 8.35 4.39 0.00 1.52 1.54 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 445 S 7.34 4.54 0.00 3.62 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 E 8.09 5.12 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 447 A 9.00 3.96 0.50 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 0.00 448 F 8.62 3.79 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 R 7.98 3.73 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 450 L 7.83 4.64 0.00 2.10 1.95 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 451 T 8.41 4.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 452 I 8.67 4.58 1.50 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 0.98 0.15 0.65 0.00 0.00 453 T 8.43 4.69 4.30 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 1.19 0.00 0.00 454 R 8.25 3.70 0.00 1.77 1.92 0.00 3.19 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 455 K 7.57 4.06 0.00 1.92 1.81 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 456 D 7.62 4.48 0.00 2.95 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 466 L 8.58 4.04 0.00 1.49 1.47 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 467 N 8.56 4.92 0.00 3.12 3.05 0.00 0.00 6.62 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 D 8.58 4.28 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 E 8.22 4.00 0.00 2.01 2.04 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 2.49 2.41 0.00 470 I 8.12 3.66 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.79 0.00 0.00 471 I 7.33 3.52 1.39 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.30 0.44 0.00 0.00 472 N 8.70 4.22 0.00 2.76 2.85 0.00 0.00 6.70 8.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 F 8.56 3.87 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.61 1.66 0.00 482 S 7.60 4.21 0.00 4.29 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 K 8.11 4.04 0.00 1.91 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 484 E 7.97 4.05 0.00 2.13 1.88 0.00 0.00 0.00 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 *485 K 8.40 4.27 0.00 1.77 1.60 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 486 G 8.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 487 L 7.27 4.53 0.00 1.92 1.60 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 488 P 0.00 4.39 0.00 2.19 2.09 0.00 3.85 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 2.20 2.21 0.00 489 S 8.62 4.34 0.00 3.95 4.07 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 0.00 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 0.00 499 T 8.08 3.99 4.35 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 1.40 0.00 0.00 500 K 7.77 3.89 0.00 2.05 1.41 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.36 7.81 501 L 7.36 3.52 0.00 0.81 0.92 0.96 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 502 K 7.07 3.74 0.00 1.41 1.55 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.11 7.81 503 T 7.86 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 504 A 8.07 4.44 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.44 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 3.93 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 Q 8.21 3.98 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 508 A 7.77 4.43 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 2.98 1.66 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 0.04 0.00 0.00 0.59 0.00 0.00 510 K 7.43 4.04 0.00 0.97 1.58 0.00 1.68 0.00 0.00 2.42 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.81 1.58 7.81 511 R 8.02 4.61 0.00 2.03 2.17 0.00 3.33 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 512 W 8.19 4.80 0.00 3.53 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 4.68 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 514 K 8.54 3.87 0.00 1.95 2.11 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.51 7.81 515 K 8.01 4.33 0.00 1.90 1.98 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 516 V 7.83 4.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.93 0.00 0.00 517 D 8.44 4.72 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 3.53 1.92 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 0.51 0.00 0.00 0.98 0.00 0.00 519 F 8.45 4.17 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 S 7.90 4.78 0.00 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 V 7.60 4.67 2.14 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 0.76 0.00 0.00 1.14 0.00 0.00 522 D 10.04 4.81 0.00 2.80 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 0.00 523 I 8.05 5.12 2.00 0.00 0.00 0.88 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 1.00 0.89 0.00 0.00 524 L 9.04 5.12 0.00 1.51 1.68 1.05 0.48 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 0.00 525 L 9.20 5.04 0.00 1.52 1.58 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 526 V 8.73 4.88 2.20 0.00 0.00 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 0.00 0.00 1.05 0.00 0.00 527 P 0.00 4.83 0.00 2.41 2.11 0.00 4.00 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 528 I 8.70 4.32 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.79 0.29 0.00 0.00 529 H 8.77 4.24 0.00 2.54 2.89 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 L 8.29 4.50 0.00 1.68 1.53 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 531 G 8.93 3.89 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 2.50 2.37 0.00 606 F 8.13 3.47 0.00 3.13 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 A 8.03 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 C 8.21 4.05 0.00 2.63 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 0.00 0.00 0.00 0.00 609 K 8.23 3.74 0.00 0.95 0.75 0.00 1.08 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.70 0.21 7.81 610 Y 8.34 4.51 0.00 2.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 A 8.03 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 D 7.80 4.28 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 C 8.20 4.32 0.00 3.34 3.19 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 0.00 614 I 7.83 3.74 1.93 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.91 0.00 0.00 615 T 7.81 3.85 4.19 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 1.18 0.00 0.00 616 K 7.68 4.15 0.00 1.98 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.64 7.81 617 D 8.26 4.98 0.00 2.79 3.07 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 0.00 0.00 0.00 0.00 618 R 7.53 4.16 0.00 1.85 1.90 0.00 3.23 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 619 P 0.00 4.55 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 620 I 8.09 3.90 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.52 0.00 0.00 621 N 8.17 4.96 0.00 2.86 2.87 0.00 0.00 6.10 7.43 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 0.00 622 F 6.89 4.97 0.00 3.08 3.31 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 0.00 623 T 8.35 5.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 624 Q 9.30 4.10 0.00 2.53 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 625 Q 8.25 4.04 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 626 H 8.38 4.41 0.00 2.85 2.25 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 M 7.97 4.01 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 628 P 0.00 4.23 0.00 2.10 2.02 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 629 Y 7.93 4.10 0.00 2.82 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 0.00 630 F 7.83 4.16 0.00 3.03 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 631 R 7.92 3.75 0.00 1.96 2.10 0.00 3.15 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 632 K 7.82 3.87 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 633 R 8.32 3.86 0.00 1.28 1.57 0.00 2.81 0.00 0.00 2.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 634 M 7.92 3.96 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 635 V 7.98 3.53 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.05 0.00 0.00 636 W 8.12 4.00 0.00 3.52 3.35 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 0.00 637 E 9.12 4.79 0.00 2.19 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 2.89 2.73 0.00 638 I 8.10 3.81 1.96 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 1.62 0.85 0.36 0.00 0.00 639 L 7.67 3.89 0.00 1.42 1.40 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 640 H 7.25 4.35 0.00 2.12 2.75 0.00 6.00 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 641 R 7.43 3.80 0.00 1.87 1.87 0.00 2.76 0.00 0.00 2.98 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 642 K 8.36 4.56 0.00 1.91 1.52 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.72 7.81 643 L 8.46 4.82 0.00 1.71 1.63 0.83 0.99 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 0.00 644 L 9.65 4.28 0.00 1.80 1.61 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.