NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 445 S 4.2344 8.1933 115.3972 58.1939 65.3234 175.8824 446 R 4.0668 7.8287 121.5860 58.2206 29.8416 178.0124 447 R 4.0124 8.2072 121.5269 62.1707 29.8766 181.3431 448 Q 4.2624 8.0208 121.2157 60.0371 28.0565 179.9495 449 Y 4.1368 7.8304 123.4191 61.4160 38.9506 178.6042 450 Q 4.0605 8.4305 121.7963 60.3393 28.0770 180.3688 451 E 4.1950 8.7450 123.6691 59.6540 29.4939 180.3181 452 K 3.8602 8.0558 123.8079 59.9799 31.6493 180.4966 453 Y 3.7517 8.1994 123.9390 60.5671 38.5533 178.8039 454 K 4.0009 7.9183 124.8500 59.8606 31.7014 182.0412 455 Q 4.1219 7.6726 119.3186 58.7469 28.3675 179.0551 456 V 3.4138 7.1206 118.3587 65.8218 31.4897 177.6554 457 E 3.8815 7.6528 118.0261 59.4542 29.4936 179.0707 458 Q 4.2057 8.0918 118.0440 58.6114 28.6779 178.0951 459 Y 4.2199 8.0233 118.1055 58.2856 38.4690 177.3660 *461 S 4.3123 7.9908 114.3667 57.8276 64.2761 175.2471 462 F 4.0098 8.4983 121.2732 61.7643 38.9034 175.6249 463 H 4.2805 7.9651 113.6623 55.2198 28.7074 175.1775 464 K 3.8732 7.9294 118.4195 57.1292 30.0310 175.7331 465 L 4.2548 7.8917 116.7078 53.8882 42.7561 176.5307 466 P 4.4228 0.0000 0.0000 62.5014 33.2676 177.4202 467 A 4.1264 8.8277 125.4073 56.3895 18.3708 180.5728 468 D 4.4295 8.2290 118.9220 58.7330 39.8234 180.2915 469 F 4.6479 8.2843 121.4137 61.2743 39.4224 177.4521 470 R 3.8969 8.2575 117.9173 59.0854 29.7896 178.7899 471 Q 4.0323 8.3671 119.6804 58.9067 29.0640 178.1559 472 K 4.0221 7.9980 120.7683 59.5994 32.2848 178.9209 473 I 3.7760 7.7198 120.1680 64.5063 37.0995 177.8568 474 H 4.4876 8.6443 120.7249 59.0884 29.7318 177.1193 475 D 4.4747 8.5161 120.7106 57.3355 40.6162 178.1137 476 Y 4.1654 8.3227 120.1392 61.1013 38.8122 177.7820 477 Y 4.1532 8.5297 120.0577 61.7003 37.9040 179.3355 478 E 3.9784 8.1777 118.6812 61.5547 29.6731 181.0130 479 H 4.1383 8.0732 116.4358 58.4097 28.7719 177.7301 480 R 3.7112 7.8799 119.9778 58.7514 30.2394 177.2097 481 Y 4.6027 7.9998 114.3299 56.5593 39.3103 175.7057 482 Q 3.2785 9.0833 118.1571 56.8598 26.7679 174.7477 483 G 2.5364 8.0687 104.8673 45.7717 0.0000 173.9660 484 K 4.4282 7.2067 119.4473 52.9648 35.9196 179.5113 *486 F 4.5824 8.2065 113.5468 59.2157 40.2295 176.3841 487 D 4.7129 8.3628 123.1894 52.4716 37.9361 176.0377 488 E 3.9969 8.5057 127.1300 60.1326 30.1404 178.2282 489 D 4.4123 8.1998 120.2099 58.4780 39.6247 180.2678 490 S 4.2808 8.3972 113.8671 61.2629 62.8695 175.8481 491 I 4.1329 7.5916 123.7660 64.0245 36.7771 178.5643 492 L 4.1615 8.2801 119.7049 57.4953 41.1643 179.6133 493 G 3.6699 7.7541 104.2876 46.9650 0.0000 175.1129 494 E 4.2261 7.9828 119.6685 58.8563 29.7072 176.6944 495 L 4.5374 7.3681 118.7475 53.5919 44.0153 174.8004 496 N 5.2092 8.2298 116.5328 50.9056 41.3632 175.0287 497 G 3.5772 8.4473 105.7388 47.6391 0.0000 173.5721 498 P 4.2413 0.0000 0.0000 65.2396 31.2943 178.6612 499 L 3.9405 7.8150 116.8628 57.8127 41.5386 179.5784 500 R 3.8912 7.8891 117.9208 59.4510 30.0385 179.0328 501 E 3.9713 8.5122 120.8684 60.0111 29.4089 179.9531 502 E 4.0230 8.4827 118.7009 60.9798 29.6814 181.5214 503 I 3.9113 8.0806 121.1873 64.3540 37.3303 178.9985 504 V 3.5716 7.9908 120.2295 64.7379 30.9249 178.1583 505 N 4.1690 7.9056 116.3961 55.9115 38.7554 176.8434 506 F 4.1873 8.1417 121.9162 61.5421 39.3627 177.0116 507 N 4.3334 8.3227 114.5728 55.5456 38.3961 176.2103 508 C 4.6338 7.6476 118.7240 60.1692 28.6316 176.4012 509 R 3.9017 7.6270 128.5133 61.9605 28.7831 183.4912 510 K 4.1062 7.7508 123.1924 59.7195 31.7389 181.1969 511 L 4.3160 7.8878 121.4849 57.3464 41.9610 178.8256 512 V 3.8877 7.8683 116.6481 66.1583 31.5532 177.6436 513 A 4.1708 7.8991 119.4154 54.3332 19.0479 178.5265 514 S 4.3947 8.0195 114.7462 57.7444 61.2510 173.8338 *516 P 4.4065 0.0000 0.0000 63.2306 33.8715 179.3051 517 L 3.8262 8.1336 119.0068 58.0626 42.3230 177.8802 518 F 4.8168 7.9671 116.0149 59.7629 39.6846 177.7239 519 A 4.0354 8.3468 122.3143 55.0606 18.1007 177.7278 520 N 4.7003 7.9251 109.4669 53.0180 38.8608 174.8648 521 A 4.4862 7.4569 122.1886 50.2407 20.6908 176.9119 522 D 4.4561 8.3870 118.8738 53.8624 41.7765 175.4216 523 P 4.3195 0.0000 0.0000 65.6692 31.2595 178.4482 524 N 4.4181 9.1047 115.9954 55.9297 38.1881 177.2504 525 F 3.2619 7.5918 121.6326 60.7354 39.4454 177.0421 526 V 3.0869 7.5001 116.2980 66.1338 31.5814 177.5882 527 T 3.8321 7.7271 115.0766 66.3812 67.7727 176.6832 528 A 4.1632 7.5073 118.2453 53.1687 18.0119 178.8920 *530 L 3.6794 7.7816 121.2180 56.1624 43.4532 179.5518 531 T 3.8468 7.6684 113.5009 66.1478 68.3836 175.3828 532 K 4.2766 7.2143 118.4814 57.1572 32.6872 177.1368 533 L 4.5919 7.6151 121.8480 55.1770 42.5404 177.3195 534 K 4.7957 8.8809 125.5439 53.2136 34.9744 175.0688 535 F 4.6589 9.1556 128.5620 57.3769 40.2961 174.3088 536 E 4.4286 8.6496 124.4981 54.6179 34.2559 174.1344 537 V 4.6998 7.9442 122.7010 61.0984 33.8070 174.5667 538 F 4.8110 9.5326 126.1148 55.8480 42.3210 174.6644 539 Q 3.9791 9.1585 120.8206 53.1607 31.2849 173.6119 540 P 4.3227 0.0000 0.0000 64.7516 31.6537 176.8458 541 G 3.8984 9.0719 112.2874 45.0799 0.0000 173.5905 542 D 4.4845 7.9328 120.4580 54.9212 41.9888 175.4825 543 Y 4.2401 8.6775 121.1550 57.9917 37.8720 175.2939 544 I 3.9308 8.8706 126.5741 63.0032 38.3444 176.8721 545 I 4.7705 7.5044 121.0782 59.4713 41.4664 174.5428 546 R 4.9049 8.4333 124.5733 53.9112 32.5101 175.4126 547 E 4.0065 8.7074 125.4401 57.7573 30.1112 177.1888 548 G 3.9885 8.9232 114.2079 45.4674 0.0000 173.7404 549 T 4.3364 7.2918 110.2918 60.8385 71.0443 174.2730 550 I 4.4017 8.2334 123.3604 60.8296 37.4350 176.0857 551 G 3.9157 8.2668 118.0542 46.1263 0.0000 173.6977 552 K 4.7692 8.6137 122.6704 53.6938 34.1262 173.5654 553 K 5.1844 7.2878 116.4751 56.0762 35.8759 174.5663 *555 Y 4.4708 8.1443 115.0697 58.4767 39.7432 174.3026 556 F 5.1501 9.4811 121.2520 55.8151 42.1769 174.7481 557 I 4.5051 9.1928 125.8460 60.9969 37.4001 176.5193 558 Q 4.2400 9.0646 129.4987 58.9544 29.7767 175.9184 559 H 5.4225 7.6042 118.2216 54.5836 33.7258 172.7890 560 G 4.4997 7.9275 112.2203 43.3103 0.0000 171.5212 561 V 4.8924 8.2791 119.5037 61.0428 34.7055 174.7820 562 V 4.7041 8.6783 120.0927 59.5892 35.7300 174.6730 563 S 4.6918 8.9581 119.6378 56.9079 64.9481 173.3331 564 V 4.4197 8.0926 125.5144 61.3867 33.2312 174.2728 565 L 4.6962 8.9243 132.1845 54.5753 44.2704 177.4591 566 T 3.9321 8.8249 121.3883 62.9647 69.2563 171.4928 *571 E 4.5996 7.6464 113.7801 55.8661 31.1988 178.5260 *573 K 4.4279 8.1149 114.8037 57.7764 33.4735 175.8392 574 L 4.7916 8.3575 121.2018 53.4645 46.0262 175.9003 575 S 5.5979 8.0453 116.2411 55.8504 66.3966 171.6403 576 D 4.7154 8.8436 116.5490 56.8271 40.8437 177.9571 577 G 4.2160 9.1607 111.7857 46.3913 0.0000 172.9776 578 S 4.9603 7.9904 115.8280 56.9477 65.7333 172.4924 579 Y 5.3416 7.7318 118.0874 55.7496 41.5911 173.7280 580 F 5.2623 7.8186 114.2268 56.7124 40.5403 174.7289 581 G 4.1019 9.4101 107.4762 45.4529 0.0000 175.2518 582 E 3.8128 8.0366 118.6556 58.8785 29.5432 178.8120 583 I 3.7431 7.8287 120.6412 64.8934 37.2360 177.9697 584 C 4.1859 8.0241 116.4197 62.5394 27.7468 175.9696 585 L 4.0330 7.0938 116.7561 56.9835 41.0827 178.6407 586 L 4.4351 7.3452 118.4654 56.7757 42.2511 178.3391 587 T 4.2283 8.1894 108.5004 61.3798 69.4561 175.1476 588 R 4.0304 8.5038 119.2491 57.3175 28.5036 176.7013 589 G 4.3269 7.7071 106.3304 46.3475 0.0000 173.6000 590 R 5.1527 8.4699 122.5789 54.2132 32.7641 176.7868 591 R 4.1259 8.7724 121.6315 57.2211 30.6495 177.8722 592 T 4.0976 8.8017 112.7648 62.8941 69.5674 173.5640 593 A 4.4987 7.3651 121.8419 51.6855 22.2136 175.4934 594 S 4.8807 8.6882 115.2894 57.5151 65.7214 174.1732 595 V 4.5285 8.7754 121.7652 61.3900 34.4842 174.3234 596 R 4.9250 8.3886 126.2456 53.7793 33.8890 175.0582 597 A 3.9147 8.5191 125.1910 52.5115 18.9580 177.1341 598 D 4.3560 9.2516 124.6302 56.1543 41.3627 177.7276 599 T 4.5704 7.3221 108.2666 60.1621 71.7130 172.8572 600 Y 4.1069 8.6560 118.7559 58.5930 38.8425 175.7441 601 C 5.0596 9.3546 120.7997 58.1410 32.1489 173.2468 602 R 4.7416 9.4051 123.9209 54.8788 31.2301 175.3589 603 L 5.4624 9.0130 124.0695 52.9864 46.1705 175.3502 604 Y 5.4156 9.0519 117.6536 56.5743 41.1094 175.3656 605 S 4.8739 9.2879 119.5878 56.7719 66.3731 172.9928 606 L 5.1556 7.7653 122.2613 53.3915 45.2865 176.0527 607 S 4.7565 8.7449 120.7549 57.5748 64.3944 175.4437 608 V 3.6922 8.4101 122.3687 65.1991 30.9122 178.5018 609 D 4.4006 8.0359 119.0267 57.3126 40.8083 178.3345 610 N 4.3954 8.2466 116.9332 55.8627 38.5407 177.2962 611 F 4.1994 8.5653 122.7073 61.6510 39.3405 177.1024 612 N 4.1867 8.5213 114.9765 55.7972 38.6817 176.8611 613 E 4.3935 8.3048 122.4783 58.7749 29.7629 179.0472 614 V 3.7044 7.8384 118.1534 66.0705 31.5788 177.6890 615 L 4.4333 7.7740 117.3273 56.6801 41.2155 179.0855 616 E 3.9350 7.9787 119.3609 58.9665 29.1640 178.2879 617 E 3.9369 7.9112 118.1244 57.0462 31.1981 175.8892 618 Y 4.7186 7.3304 114.2034 55.3326 38.2248 174.2035 619 P 4.6816 0.0000 0.0000 62.0335 31.0324 176.2046 *622 R 4.6288 8.1688 122.9581 56.0264 32.1836 177.5234 623 R 4.3456 8.3281 118.3537 58.6424 29.7561 178.0612 624 A 3.9034 7.9022 120.0968 55.2896 18.3168 179.5227 625 F 4.4476 7.9054 117.0471 60.1923 38.9623 177.6691 626 E 4.1046 8.4701 118.2762 59.6915 29.2845 179.4412 627 T 3.8975 8.2137 115.9420 66.6691 68.5581 176.8305 628 V 3.5742 7.7298 119.7006 65.8749 31.5112 177.8296 629 A 4.0670 8.4692 120.8878 55.2799 18.3753 179.6045 630 I 3.6601 8.5313 118.7249 64.8051 37.0144 178.3867 631 D 4.4049 7.9513 118.1412 57.5293 40.9529 178.9102 632 R 4.1003 8.1531 118.5359 59.1214 29.8860 178.9592 633 L 4.0239 8.0268 118.2485 57.8749 41.7620 178.8426 634 D 4.5185 8.1308 117.4690 56.7327 40.8189 177.3087 635 R 4.4774 7.6054 119.5800 56.6692 30.2326 177.1034 636 I 3.5859 7.3895 123.0875 60.3865 36.1284 176.7702 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 445 S 8.19 4.23 0.00 3.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 4.07 0.00 1.94 2.00 0.00 3.39 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 447 R 8.21 4.01 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 448 Q 8.02 4.26 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 449 Y 7.83 4.14 0.00 2.94 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 0.00 450 Q 8.43 4.06 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 451 E 8.75 4.19 0.00 1.91 1.98 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 2.31 2.52 0.00 452 K 8.06 3.86 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 453 Y 8.20 3.75 0.00 2.23 2.66 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 0.00 454 K 7.92 4.00 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 455 Q 7.67 4.12 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 456 V 7.12 3.41 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.62 0.00 0.00 457 E 7.65 3.88 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.53 0.00 458 Q 8.09 4.21 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 459 Y 8.02 4.22 0.00 3.05 3.09 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 *461 S 7.99 4.31 0.00 3.94 4.06 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 0.00 462 F 8.50 4.01 0.00 2.94 3.03 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 0.00 463 H 7.97 4.28 0.00 3.10 3.23 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 K 7.93 3.87 0.00 1.80 1.83 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.41 7.81 465 L 7.89 4.25 0.00 1.83 1.97 1.38 1.22 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 0.00 466 P 0.00 4.42 0.00 2.26 2.03 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 467 A 8.83 4.13 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 0.00 468 D 8.23 4.43 0.00 2.69 2.70 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 0.00 469 F 8.28 4.65 0.00 3.11 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 470 R 8.26 3.90 0.00 2.10 2.02 0.00 3.23 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 471 Q 8.37 4.03 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 472 K 8.00 4.02 0.00 1.96 1.88 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.53 7.81 473 I 7.72 3.78 1.97 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.39 1.20 0.00 0.00 474 H 8.64 4.49 0.00 3.55 3.63 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 D 8.52 4.47 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 476 Y 8.32 4.17 0.00 3.28 3.23 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 0.00 477 Y 8.53 4.15 0.00 3.28 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 0.00 478 E 8.18 3.98 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 479 H 8.07 4.14 0.00 3.06 3.22 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 R 7.88 3.71 0.00 0.67 0.92 0.00 2.99 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 481 Y 8.00 4.60 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 Q 9.08 3.28 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 483 G 8.07 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 0.00 0.00 0.00 484 K 7.21 4.43 0.00 1.76 1.56 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.27 7.81 *486 F 8.21 4.58 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 0.00 487 D 8.36 4.71 0.00 2.76 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 0.00 488 E 8.51 4.00 0.00 2.18 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 0.00 2.43 2.43 0.00 489 D 8.20 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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 0.00 498 P 0.00 4.24 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 499 L 7.82 3.94 0.00 1.66 1.68 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 500 R 7.89 3.89 0.00 2.08 1.96 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 501 E 8.51 3.97 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 502 E 8.48 4.02 0.00 1.96 1.96 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 2.24 2.22 0.00 503 I 8.08 3.91 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.89 0.00 0.00 504 V 7.99 3.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.78 0.00 0.00 505 N 7.91 4.17 0.00 2.96 2.89 0.00 0.00 6.98 7.53 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 0.00 506 F 8.14 4.19 0.00 3.21 3.18 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 0.00 507 N 8.32 4.33 0.00 2.69 2.83 0.00 0.00 7.02 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 C 7.65 4.63 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.90 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 510 K 7.75 4.11 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 511 L 7.89 4.32 0.00 1.74 1.90 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 512 V 7.87 3.89 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 0.88 0.00 0.00 0.72 0.00 0.00 513 A 7.90 4.17 1.40 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 0.00 0.00 0.00 514 S 8.02 4.39 0.00 4.15 4.12 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 *516 P 0.00 4.41 0.00 2.20 2.17 0.00 3.61 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 2.00 2.08 0.00 517 L 8.13 3.83 0.00 1.44 1.39 0.54 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 518 F 7.97 4.82 0.00 3.14 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 0.00 519 A 8.35 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.93 4.70 0.00 2.67 2.85 0.00 0.00 6.99 7.91 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 0.00 521 A 7.46 4.49 1.54 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 0.00 522 D 8.39 4.46 0.00 2.72 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 0.00 523 P 0.00 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0.00 0.00 0.00 0.00 549 T 7.29 4.34 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 550 I 8.23 4.40 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.92 0.00 0.00 551 G 8.27 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 0.00 0.00 0.00 552 K 8.61 4.77 0.00 1.63 1.71 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 0.99 7.81 553 K 7.29 5.18 0.00 1.45 1.24 0.00 1.82 0.00 0.00 2.61 0.00 0.00 2.59 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.36 7.81 *555 Y 8.14 4.47 0.00 1.64 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 0.00 556 F 9.48 5.15 0.00 3.15 3.20 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 0.00 557 I 9.19 4.51 2.24 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 1.09 0.00 0.00 558 Q 9.06 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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 1.21 0.00 0.00 *571 E 7.65 4.60 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 *573 K 8.11 4.43 0.00 1.62 1.76 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 574 L 8.36 4.79 0.00 1.51 1.53 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 575 S 8.05 5.60 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 D 8.84 4.72 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 G 9.16 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 578 S 7.99 4.96 0.00 3.99 3.75 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 0.00 0.00 0.00 579 Y 7.73 5.34 0.00 2.48 2.70 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 0.00 580 F 7.82 5.26 0.00 3.02 3.03 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 0.00 581 G 9.41 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 E 8.04 3.81 0.00 2.09 2.18 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 2.47 2.64 0.00 583 I 7.83 3.74 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.74 0.93 0.00 0.00 584 C 8.02 4.19 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 L 7.09 4.03 0.00 1.31 1.09 0.75 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.35 4.44 0.00 1.76 1.79 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 587 T 8.19 4.23 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 1.30 0.00 0.00 588 R 8.50 4.03 0.00 1.96 2.09 0.00 3.14 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 589 G 7.71 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 R 8.47 5.15 0.00 1.70 1.86 0.00 3.54 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 591 R 8.77 4.13 0.00 1.91 2.05 0.00 3.34 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 592 T 8.80 4.10 4.25 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 1.23 0.00 0.00 593 A 7.37 4.50 1.18 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 0.00 0.00 594 S 8.69 4.88 0.00 3.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 V 8.78 4.53 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 -0.14 0.00 0.00 0.64 0.00 0.00 596 R 8.39 4.92 0.00 1.47 1.40 0.00 2.21 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.05 0.00 597 A 8.52 3.91 1.23 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 0.00 0.00 598 D 9.25 4.36 0.00 2.55 2.72 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 0.00 0.00 0.00 0.00 599 T 7.32 4.57 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 1.21 0.00 0.00 600 Y 8.66 4.11 0.00 2.90 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 0.00 601 C 9.35 5.06 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 R 9.41 4.74 0.00 1.90 2.20 0.00 3.20 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 603 L 9.01 5.46 0.00 1.73 1.75 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 604 Y 9.05 5.42 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 S 9.29 4.87 0.00 3.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 L 7.77 5.16 0.00 1.94 1.56 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 607 S 8.74 4.76 0.00 4.04 3.97 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 0.00 608 V 8.41 3.69 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 0.96 0.00 0.00 1.00 0.00 0.00 609 D 8.04 4.40 0.00 2.73 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 0.00 610 N 8.25 4.40 0.00 2.81 2.90 0.00 0.00 6.67 8.12 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 0.00 611 F 8.57 4.20 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.19 0.00 2.72 2.85 0.00 0.00 7.09 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 0.00 613 E 8.30 4.39 0.00 2.21 2.12 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 2.31 2.18 0.00 614 V 7.84 3.70 2.27 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 1.25 0.00 0.00 1.03 0.00 0.00 615 L 7.77 4.43 0.00 1.53 1.57 -0.11 1.11 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 0.00 616 E 7.98 3.94 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 617 E 7.91 3.94 0.00 1.81 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 1.47 1.81 0.00 618 Y 7.33 4.72 0.00 3.09 2.66 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 0.00 619 P 0.00 4.68 0.00 2.02 2.04 0.00 3.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.28 0.00 *622 R 8.17 4.63 0.00 1.88 2.11 0.00 3.23 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 623 R 8.33 4.35 0.00 1.93 1.91 0.00 3.28 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 624 A 7.90 3.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 F 7.91 4.45 0.00 3.43 3.20 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 0.00 626 E 8.47 4.10 0.00 2.28 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 0.00 2.44 2.62 0.00 627 T 8.21 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 628 V 7.73 3.57 2.42 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 0.95 0.00 0.00 0.92 0.00 0.00 629 A 8.47 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 3.66 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.93 0.00 0.00 631 D 7.95 4.40 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 R 8.15 4.10 0.00 2.01 1.98 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 633 L 8.03 4.02 0.00 1.77 1.75 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 634 D 8.13 4.52 0.00 2.76 2.80 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 0.00 635 R 7.61 4.48 0.00 1.98 1.91 0.00 3.29 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 636 I 7.39 3.59 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 1.16 0.50 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.