NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 425 Y 4.5491 8.1449 121.6903 57.5247 39.3093 174.0485 426 V 4.2367 7.7553 120.2241 58.3998 34.6977 170.1322 427 V 4.1327 7.9700 121.8352 61.0775 34.7970 174.3735 428 C 4.9095 8.2214 120.9382 55.9087 32.2520 174.6035 429 R 3.8435 8.6031 117.9507 58.7841 29.6496 177.8013 430 Q 4.6582 8.2445 114.4071 55.5325 29.7400 175.2079 431 C 4.5156 7.8545 116.9070 59.0319 28.8917 172.5579 432 P 4.4514 0.0000 0.0000 62.3239 33.1846 177.2106 433 E 3.9446 8.7258 118.8837 59.9921 29.1691 179.3214 434 Y 4.3641 7.8955 116.0735 59.9215 38.1625 178.1681 435 R 4.0943 7.0724 120.0895 59.1236 30.5011 178.0866 436 R 3.9287 7.8148 118.5291 59.6628 29.9161 178.4256 437 Q 4.0976 8.4822 116.0186 58.0168 28.8610 176.8692 438 A 4.2227 7.6285 118.8010 52.6355 19.1119 177.4689 439 A 4.1213 7.5583 118.3731 51.5435 19.1046 177.4806 440 Q 4.1636 8.2002 118.6082 55.0145 29.4703 175.1396 441 P 4.4022 0.0000 0.0000 61.8455 32.0106 174.6268 442 P 4.5675 0.0000 0.0000 62.3671 32.7163 175.8614 *443 H 4.3692 8.4908 115.7244 54.4099 28.1897 173.2944 444 C 4.6724 8.4656 123.2630 56.4146 29.2141 172.4164 445 P 4.1604 0.0000 0.0000 65.5770 30.7654 176.6221 *473 D 4.5509 7.9186 116.4374 53.3988 42.7182 174.5535 474 Y 4.2342 8.0892 119.0530 58.5090 39.3996 174.8591 475 V 4.5810 7.2879 125.1581 60.7822 34.2104 174.7848 476 C 4.2710 8.6313 126.4185 59.5310 28.5074 172.2208 477 P 4.5173 0.0000 0.0000 61.9181 32.3487 176.9386 478 L 4.0215 8.7802 122.2498 58.4466 41.9081 177.9581 479 Q 4.3043 8.0328 114.2548 56.2211 29.2388 176.3476 480 G 3.7110 7.9438 108.3068 45.5460 0.0000 172.9539 481 S 4.8300 8.2905 115.8382 56.5992 66.5878 172.0409 482 H 5.4420 8.6077 115.3474 53.9610 32.4025 173.1650 483 A 4.7647 8.7301 121.3207 50.1215 22.6421 175.2029 484 L 4.5447 8.4182 120.7002 53.8305 43.0682 176.5218 485 C 4.0215 8.7442 124.6836 59.8484 31.8690 174.8789 486 T 3.7206 8.4460 123.7032 66.4393 68.3399 175.3943 487 C 4.0739 7.9188 120.7210 61.6067 31.7187 173.9289 488 C 4.0124 7.6485 111.9858 57.3348 30.1017 174.7664 489 F 4.2845 7.8150 117.8873 58.0708 37.2324 174.5907 490 Q 4.7204 7.5305 119.7421 54.0100 30.2230 173.7720 491 P 5.1074 0.0000 0.0000 63.2997 32.3389 175.2973 492 M 5.1016 8.9811 118.4849 52.5436 35.0686 172.5539 493 P 4.3679 0.0000 0.0000 63.3100 32.1330 176.0040 494 D 4.3109 8.7245 124.6039 53.0279 40.5911 176.1050 495 R 4.4944 8.2900 124.5529 55.6685 31.0596 178.2541 496 R 3.8455 7.7045 121.4758 59.3608 29.8160 178.9918 497 V 4.4404 7.5228 117.7706 65.5564 31.9322 177.0518 498 E 4.0313 8.1365 118.6289 59.3921 29.4640 178.6782 499 R 4.1010 8.0185 118.6611 59.3111 30.0135 178.1603 500 E 3.9949 7.9972 118.7230 58.8263 29.2395 178.3179 501 Q 4.7078 7.7182 114.4780 55.0725 30.7712 175.9030 502 D 4.6201 7.7972 119.9584 51.7248 41.8322 173.5284 503 P 4.4278 0.0000 0.0000 63.9380 31.8407 178.0079 504 R 4.0165 7.9722 117.3782 58.8424 30.1585 177.8820 505 V 3.6289 7.7050 117.6567 62.3064 31.9249 175.6168 506 A 4.1817 8.4809 129.9980 51.3922 18.9556 175.4272 507 P 4.4393 0.0000 0.0000 63.2627 32.1462 176.3269 508 Q 4.9164 8.5108 118.0677 55.3099 31.3848 174.2814 509 Q 5.1362 7.8674 115.7599 54.8461 32.0515 173.5353 510 C 4.4906 9.0837 121.2570 59.0679 32.0290 174.5467 511 A 4.0048 8.9044 129.9095 55.0062 18.2868 178.8459 512 V 3.8519 7.6657 114.7987 65.3755 31.8711 176.7921 513 C 4.2319 7.9058 113.1395 58.2939 30.2739 174.7831 514 L 3.9782 7.9978 118.7121 55.2095 39.6475 174.2930 515 Q 4.2376 7.4679 118.4820 55.0927 30.1798 173.7360 516 P 5.0075 0.0000 0.0000 62.5046 32.7295 175.3296 517 F 5.1709 8.7918 121.9414 55.3559 42.9366 175.1377 518 C 4.4102 8.9594 116.0794 58.9443 30.2420 175.3700 519 H 4.3383 8.3172 121.5587 59.7809 29.3319 176.8529 520 L 4.0225 7.9416 118.7858 57.6054 41.5336 178.5466 521 Y 4.2163 7.8473 118.7656 59.8291 38.9399 177.2135 522 W 4.9096 8.0755 111.2640 56.5147 30.1157 171.4600 523 G 3.8213 8.6484 113.9932 46.0337 0.0000 173.2582 524 C 4.6432 8.8002 125.0086 58.5014 32.8544 172.8823 525 T 4.5767 8.0101 120.7015 62.0351 71.0799 173.5674 526 R 4.3656 8.0149 123.4261 55.2988 32.9132 173.7340 527 T 4.0223 8.4679 122.1703 65.9809 68.4121 174.2788 528 G 3.7739 8.8182 114.7382 45.2348 0.0000 172.4724 529 C 4.0876 7.6706 120.7918 58.3858 32.0451 172.7420 530 Y 4.5498 7.8956 123.7682 57.7205 38.2880 176.2832 531 G 3.8516 7.9242 110.4576 46.3675 0.0000 173.9432 532 C 4.3741 8.3060 118.5246 58.7618 30.4435 173.4788 533 L 4.8392 7.1818 120.8010 54.0959 44.9547 174.5008 534 A 4.5327 8.5388 124.2593 50.3675 23.5250 173.7758 535 P 4.5687 0.0000 0.0000 62.9424 32.2787 177.1005 536 F 4.4580 9.5901 127.7015 61.7950 39.3331 177.4718 537 C 4.1531 8.2332 113.3035 60.2503 29.3739 173.9321 538 E 4.5005 8.3433 118.1196 55.6345 30.2027 175.9244 539 L 4.0880 7.7734 122.3221 55.1389 42.5065 175.8765 540 N 4.9921 8.8871 123.9037 52.9710 39.0445 174.8705 541 L 4.4989 8.5034 122.1491 54.0484 43.0857 177.5422 542 G 3.1818 7.5313 105.2848 44.9714 0.0000 174.3422 543 D 4.4433 8.1973 120.0600 56.6270 41.1571 177.9066 544 K 4.5609 7.7030 116.9932 56.1101 32.3865 177.7911 545 C 4.1986 7.4525 115.7815 60.5084 29.7147 174.7636 546 L 4.2277 7.7595 119.9497 56.4663 41.7534 176.0701 547 D 4.4322 7.9546 119.2367 55.3182 40.7867 176.0570 548 G 4.0474 9.0650 112.2492 46.2537 0.0000 175.3545 549 V 3.6205 7.7993 121.6036 63.9019 31.4704 176.5370 550 L 4.3583 8.0721 121.6448 54.2372 40.0702 176.0893 551 N 4.2330 9.1716 124.2566 54.4236 36.3309 174.3768 552 N 4.1953 8.0670 109.8481 54.2836 37.1162 174.8481 553 N 4.7739 8.0678 118.0597 52.1555 39.5872 175.0831 554 S 4.1733 8.5448 124.8788 61.3774 63.3076 175.5964 555 Y 3.9533 8.1226 122.6471 60.6753 38.7053 177.7650 556 E 4.0238 8.9307 119.6484 59.6259 29.5112 179.6172 557 S 4.1882 8.3405 115.2715 61.6401 62.8645 176.5036 558 D 4.3305 8.4991 122.1030 57.2390 40.5279 178.7848 559 I 3.6185 7.4325 119.9156 64.2518 37.0541 178.1627 560 L 4.0472 7.9236 121.0652 58.1927 41.9348 179.0532 561 K 3.9955 8.3562 118.6141 59.6855 31.8884 179.0766 562 N 4.3707 8.3105 116.6840 56.3048 38.4500 176.7955 563 Y 4.0568 8.1889 120.9203 60.6902 38.9094 178.2110 564 L 3.9099 8.3349 119.6570 57.8018 41.8097 179.3620 565 A 3.9877 7.9935 120.6076 55.6034 18.1081 179.8040 566 T 3.8072 7.8959 113.2808 66.6251 68.6062 176.3686 567 R 4.1222 7.5227 117.3886 56.0081 30.2685 177.0728 568 G 3.8234 7.7887 106.8501 46.2110 0.0000 173.4310 569 L 4.7746 8.0532 118.9997 52.9918 44.0065 176.9735 570 T 4.4787 8.2783 112.6983 59.8850 72.0790 175.9540 571 W 4.3413 8.3881 118.0553 59.6019 27.9080 178.4708 572 K 3.4492 6.7788 118.9738 58.9728 31.3866 178.7518 573 N 4.2044 7.8325 116.8027 56.4661 38.4212 177.0271 574 M 3.7203 7.8039 119.0913 58.3894 32.1945 177.8746 575 L 4.0451 8.1949 120.4844 58.5531 42.3179 178.8895 576 T 3.8003 8.0514 115.7696 66.9863 68.5197 176.4611 577 E 4.0325 8.3304 120.1446 59.4836 29.3789 179.6853 578 S 4.2638 8.3599 115.5206 61.4481 62.8688 176.6298 579 L 4.0301 8.2666 122.2342 57.3626 41.2924 179.6739 580 V 3.5052 7.8798 118.2670 65.9550 31.5104 177.9457 581 A 3.7689 7.6669 120.3875 54.7871 17.9906 179.3604 582 L 4.2565 7.9191 120.2957 58.0112 42.0339 179.0172 583 Q 4.0336 8.0685 118.1751 58.9875 29.0487 177.6100 584 R 4.3163 7.7181 116.3668 55.8547 30.4418 177.4042 585 G 3.9833 7.9888 107.2667 45.6628 0.0000 175.0193 586 V 3.8113 7.9462 120.4114 64.8035 32.0750 176.3357 587 F 5.4096 7.8939 117.1147 55.9029 40.9796 174.4595 588 L 5.1367 9.1527 122.3932 53.0189 43.6708 176.2263 589 L 5.0714 8.1352 119.9385 52.7556 44.5914 178.0990 590 S 4.1633 9.3605 116.2375 60.2211 63.4724 173.7807 591 D 4.6803 7.4127 120.3930 52.1659 40.6310 175.9306 592 Y 4.4318 8.2779 124.9480 58.9187 38.2532 177.7640 593 R 4.0174 7.5074 119.5575 58.2984 30.4697 177.1305 594 V 3.8882 7.4155 118.0990 62.4726 32.3549 174.8848 595 T 4.8829 8.9571 116.3886 59.6001 72.0678 174.6837 596 G 3.7791 8.6627 108.7447 47.9741 0.0000 174.8891 597 D 4.6207 7.9862 118.6031 55.6490 41.6985 177.1210 598 T 3.9736 7.6721 117.2180 63.6893 69.6520 173.7267 599 V 4.3126 8.5234 126.5242 62.8862 32.6692 174.6106 600 L 5.1276 8.8905 128.0373 52.8491 45.9802 176.5442 601 C 4.7876 8.1754 115.6971 56.4040 31.4029 174.0525 602 Y 3.9469 8.2454 119.6006 61.1622 38.3127 177.7458 603 C 3.9743 8.0678 117.0236 62.9861 28.1749 175.8078 604 C 4.1846 7.9295 118.0227 62.5392 27.7530 176.1606 605 G 3.1538 8.1138 107.7561 47.5110 0.0000 175.4882 606 L 3.8987 7.8140 123.1235 57.6378 41.8267 178.9735 607 R 3.8597 7.6910 118.1671 59.7814 29.9808 178.8135 608 S 4.2130 7.8066 114.8991 61.2320 62.6986 176.2620 609 F 4.4731 8.8641 124.0428 61.7468 39.2444 177.4663 610 R 3.7150 8.1916 117.4313 59.1719 29.2952 178.9877 611 E 3.9719 7.9055 118.4141 59.3793 29.3906 179.4061 612 L 4.0504 8.2768 119.2963 58.1283 41.6308 179.6749 613 T 3.7650 8.0429 116.0939 66.6344 68.2197 176.0119 614 Y 3.8666 7.8742 121.1898 60.8349 38.5849 178.2857 615 Q 3.9744 7.4293 118.4852 58.1615 28.9314 177.5803 616 Y 4.3714 8.1187 120.9563 60.8436 38.8516 178.2333 617 R 3.7508 8.2035 119.6028 59.6474 29.6812 178.2201 618 Q 3.8423 7.8373 117.7245 58.5960 28.3867 177.9796 619 N 4.8551 7.3212 114.3665 51.8153 38.9918 174.8874 620 I 3.6761 6.8735 123.0976 59.8896 37.7441 174.3811 621 P 4.2543 0.0000 0.0000 62.2315 32.0898 177.1944 622 A 3.9744 8.7750 125.4767 55.3680 18.3722 179.7354 623 S 4.2498 8.0470 108.6539 60.5268 63.1380 174.6100 624 E 4.5674 8.0657 119.3989 56.0065 29.6454 175.2711 625 L 4.9225 7.4804 118.4317 51.6559 45.4346 174.6163 626 P 4.3577 0.0000 0.0000 62.6860 32.2070 178.0674 627 V 3.6013 8.5397 121.1496 66.1522 31.1979 178.3048 628 A 4.0583 7.8998 119.1645 54.7532 18.0441 179.3301 629 V 3.7740 7.6597 117.2722 66.2230 31.4633 178.0465 630 T 3.7836 7.7870 107.1522 63.7626 69.1289 176.0827 631 S 4.3397 7.7355 116.5993 59.1275 63.5358 174.8280 632 R 3.9395 6.8073 120.7009 55.5388 30.5628 174.6926 633 P 4.4889 0.0000 0.0000 62.8523 32.7139 175.1728 634 D 4.8653 8.5609 122.1971 54.2491 41.7084 175.8307 635 C 3.6496 8.7182 124.3605 59.2636 32.6520 173.7879 636 Y 4.2012 7.0794 122.0739 57.8581 38.4379 176.7302 637 W 4.7345 7.6545 120.4804 56.6924 31.0103 177.5810 638 G 3.8479 7.8186 109.1623 46.1751 0.0000 176.6624 639 R 4.1579 8.8948 118.2154 58.7288 29.3059 177.5280 640 N 4.6176 7.8515 113.9280 53.2640 39.0044 174.9444 641 C 4.2163 8.0297 119.8143 59.9033 31.9848 173.6352 642 R 4.2731 8.2992 124.4356 57.6637 30.5341 177.5124 643 T 4.1986 7.7089 113.9320 64.7711 68.8860 176.0591 644 Q 4.1923 7.9404 118.3030 57.7208 28.6936 177.2303 645 V 4.0163 7.6705 111.1879 62.4845 32.2794 176.2692 646 K 4.5190 8.0873 121.3343 54.3798 34.0575 176.5246 647 A 4.0398 8.6695 126.5788 55.7992 18.4617 179.1229 648 H 4.0083 8.2199 115.8876 59.7115 30.1190 176.7677 649 H 4.2692 8.2985 119.3102 59.2899 29.6002 176.9569 650 A 4.0444 7.9670 121.6354 55.2168 18.2248 179.0064 651 M 2.5500 7.5667 116.1623 58.0319 32.3014 178.0937 652 K 3.6872 7.3978 118.4413 57.3123 32.7423 176.8771 653 F 4.9182 7.0522 115.8722 54.9893 41.9381 174.5050 654 N 4.6509 8.9043 123.4652 54.1848 39.2181 174.9808 655 H 5.0328 8.9526 120.4684 55.8074 30.0904 175.2968 656 I 4.2764 7.9951 123.5765 58.5891 35.4975 174.0766 657 C 4.7357 8.1722 117.2914 57.3459 32.9299 174.3093 658 E 4.5400 8.5557 119.8376 55.5460 29.8943 176.7341 659 Q 4.1626 8.5653 123.2058 56.5153 29.4399 175.9724 660 T 4.5939 8.3892 113.8107 61.1618 70.1731 174.1230 661 R 4.5529 7.2573 120.2364 54.6565 33.4165 174.8208 662 F 4.9497 8.7713 119.5679 57.0527 41.0978 175.9058 663 K 4.1941 8.4782 127.5462 55.1758 31.3217 181.1759 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 425 Y 8.14 4.55 0.00 2.94 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 0.00 426 V 7.76 4.24 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 0.71 0.00 0.00 0.72 0.00 0.00 427 V 7.97 4.13 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 0.84 0.00 0.00 0.93 0.00 0.00 428 C 8.22 4.91 0.00 3.69 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 0.00 429 R 8.60 3.84 0.00 1.23 1.66 0.00 2.68 0.00 0.00 2.57 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 430 Q 8.24 4.66 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 431 C 7.85 4.52 0.00 3.10 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 0.00 432 P 0.00 4.45 0.00 1.93 2.06 0.00 3.46 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 0.96 1.68 0.00 433 E 8.73 3.94 0.00 2.04 2.09 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 2.41 2.35 0.00 434 Y 7.90 4.36 0.00 3.08 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 0.00 435 R 7.07 4.09 0.00 1.43 1.78 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 436 R 7.81 3.93 0.00 1.91 2.03 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 437 Q 8.48 4.10 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 438 A 7.63 4.22 1.39 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 0.00 0.00 439 A 7.56 4.12 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 0.00 440 Q 8.20 4.16 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 441 P 0.00 4.40 0.00 2.03 1.97 0.00 3.65 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 2.06 0.00 442 P 0.00 4.57 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 *443 H 8.49 4.37 0.00 2.95 2.91 0.00 7.19 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 C 8.47 4.67 0.00 2.95 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 0.00 445 P 0.00 4.16 0.00 2.17 2.20 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 *473 D 7.92 4.55 0.00 2.70 2.83 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 0.00 0.00 0.00 474 Y 8.09 4.23 0.00 3.01 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 0.00 475 V 7.29 4.58 1.94 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 0.86 0.00 0.00 0.90 0.00 0.00 476 C 8.63 4.27 0.00 2.90 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 0.00 477 P 0.00 4.52 0.00 2.14 2.16 0.00 3.77 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 2.20 2.02 0.00 478 L 8.78 4.02 0.00 1.71 1.82 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 479 Q 8.03 4.30 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 480 G 7.94 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 0.00 0.00 0.00 481 S 8.29 4.83 0.00 3.84 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 0.00 482 H 8.61 5.44 0.00 2.93 3.23 0.00 5.84 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 0.00 483 A 8.73 4.76 1.14 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 0.00 0.00 484 L 8.42 4.54 0.00 1.57 1.68 0.94 1.00 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 0.00 485 C 8.74 4.02 0.00 3.07 2.83 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 0.00 0.00 0.00 486 T 8.45 3.72 2.84 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 1.11 0.00 0.00 487 C 7.92 4.07 0.00 3.14 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 0.00 488 C 7.65 4.01 0.00 3.09 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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 0.00 563 Y 8.19 4.06 0.00 3.03 3.21 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 0.00 0.00 0.00 0.00 564 L 8.33 3.91 0.00 1.79 1.89 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 565 A 7.99 3.99 1.32 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 0.00 566 T 7.90 3.81 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 1.15 0.00 0.00 567 R 7.52 4.12 0.00 1.75 1.82 0.00 2.90 0.00 0.00 2.65 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.00 568 G 7.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 L 8.05 4.77 0.00 1.57 1.55 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 570 T 8.28 4.48 3.96 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 1.09 0.00 0.00 571 W 8.39 4.34 0.00 3.74 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 K 6.78 3.45 0.00 1.13 1.43 0.00 1.09 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.48 0.21 7.81 573 N 7.83 4.20 0.00 2.89 2.82 0.00 0.00 6.65 7.70 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 0.00 574 M 7.80 3.72 0.00 2.22 1.71 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 1.09 2.24 0.00 575 L 8.19 4.05 0.00 2.22 1.90 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 576 T 8.05 3.80 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 577 E 8.33 4.03 0.00 2.13 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 2.53 2.60 0.00 578 S 8.36 4.26 0.00 4.14 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 0.00 579 L 8.27 4.03 0.00 1.76 1.66 0.60 0.51 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 0.00 580 V 7.88 3.51 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 0.96 0.00 0.00 0.92 0.00 0.00 581 A 7.67 3.77 0.40 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 0.00 582 L 7.92 4.26 0.00 2.02 1.95 1.10 0.64 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 0.00 583 Q 8.07 4.03 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 584 R 7.72 4.32 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 585 G 7.99 3.98 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 0.00 0.00 0.00 586 V 7.95 3.81 2.09 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 0.86 0.00 0.00 0.91 0.00 0.00 587 F 7.89 5.41 0.00 3.21 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 0.00 588 L 9.15 5.14 0.00 1.60 1.60 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 589 L 8.14 5.07 0.00 1.86 1.59 1.12 0.97 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 0.00 590 S 9.36 4.16 0.00 3.95 4.05 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 0.00 0.00 0.00 591 D 7.41 4.68 0.00 2.62 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 0.00 592 Y 8.28 4.43 0.00 3.09 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 0.00 593 R 7.51 4.02 0.00 1.76 1.91 0.00 3.00 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.00 594 V 7.42 3.89 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 0.84 0.00 0.00 0.86 0.00 0.00 595 T 8.96 4.88 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 1.28 0.00 0.00 596 G 8.66 3.78 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 0.00 0.00 0.00 597 D 7.99 4.62 0.00 2.74 2.77 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 0.00 0.00 0.00 598 T 7.67 3.97 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 1.19 0.00 0.00 599 V 8.52 4.31 2.09 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 1.11 0.00 0.00 0.96 0.00 0.00 600 L 8.89 5.13 0.00 1.41 1.27 0.13 0.70 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 0.00 601 C 8.18 4.79 0.00 2.15 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 0.00 602 Y 8.25 3.95 0.00 3.02 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 0.00 603 C 8.07 3.97 0.00 3.04 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 0.00 604 C 7.93 4.18 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 L 7.81 3.90 0.00 1.20 1.50 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 607 R 7.69 3.86 0.00 1.90 2.01 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 608 S 7.81 4.21 0.00 3.68 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 4.47 0.00 3.33 3.36 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 0.00 610 R 8.19 3.72 0.00 2.05 1.94 0.00 3.19 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 611 E 7.91 3.97 0.00 2.19 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 0.00 2.30 2.53 0.00 612 L 8.28 4.05 0.00 1.90 1.88 1.06 1.27 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 0.00 613 T 8.04 3.77 4.04 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 1.05 0.00 0.00 614 Y 7.87 3.87 0.00 3.01 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 0.00 615 Q 7.43 3.97 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 616 Y 8.12 4.37 0.00 3.17 3.15 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 0.00 0.00 0.00 0.00 617 R 8.20 3.75 0.00 1.88 1.82 0.00 3.03 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 618 Q 7.84 3.84 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 619 N 7.32 4.86 0.00 2.80 2.77 0.00 0.00 7.07 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 I 6.87 3.68 1.59 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.25 0.23 0.00 0.00 621 P 0.00 4.25 0.00 2.17 1.95 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 622 A 8.78 3.97 1.28 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 0.00 0.00 0.00 623 S 8.05 4.25 0.00 4.00 4.01 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 0.00 624 E 8.07 4.57 0.00 2.21 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 2.34 2.31 0.00 625 L 7.48 4.92 0.00 1.58 1.52 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 626 P 0.00 4.36 0.00 2.18 1.98 0.00 3.60 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 2.11 2.08 0.00 627 V 8.54 3.60 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 1.04 0.00 0.00 0.93 0.00 0.00 628 A 7.90 4.06 1.31 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 0.00 0.00 629 V 7.66 3.77 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 1.07 0.00 0.00 0.97 0.00 0.00 630 T 7.79 3.78 4.23 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 1.19 0.00 0.00 631 S 7.74 4.34 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 6.81 3.94 0.00 1.67 1.78 0.00 3.21 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 633 P 0.00 4.49 0.00 2.25 2.18 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 634 D 8.56 4.87 0.00 2.56 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 0.00 635 C 8.72 3.65 0.00 2.53 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 Y 7.08 4.20 0.00 2.65 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 0.00 637 W 7.65 4.73 0.00 3.39 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 0.00 638 G 7.82 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 0.00 0.00 0.00 639 R 8.89 4.16 0.00 1.71 2.09 0.00 3.10 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 640 N 7.85 4.62 0.00 3.07 2.89 0.00 0.00 6.92 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 641 C 8.03 4.22 0.00 3.30 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 0.00 642 R 8.30 4.27 0.00 1.71 1.89 0.00 3.36 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 643 T 7.71 4.20 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 1.12 0.00 0.00 644 Q 7.94 4.19 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 645 V 7.67 4.02 2.10 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 0.73 0.00 0.00 1.01 0.00 0.00 646 K 8.09 4.52 0.00 1.92 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.60 7.81 647 A 8.67 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 H 8.22 4.01 0.00 3.28 3.35 0.00 5.87 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 0.00 649 H 8.30 4.27 0.00 3.38 3.50 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 A 7.97 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 M 7.57 2.55 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 652 K 7.40 3.69 0.00 1.50 1.57 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.59 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.92 7.81 653 F 7.05 4.92 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 N 8.90 4.65 0.00 2.80 2.82 0.00 0.00 6.91 7.77 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 0.00 655 H 8.95 5.03 0.00 3.25 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 I 8.00 4.28 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.56 0.00 0.00 657 C 8.17 4.74 0.00 3.06 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 0.00 658 E 8.56 4.54 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 2.36 2.28 0.00 659 Q 8.57 4.16 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 1.52 2.42 0.00 660 T 8.39 4.59 4.23 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 1.22 0.00 0.00 661 R 7.26 4.55 0.00 1.11 1.15 0.00 3.09 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.00 662 F 8.77 4.95 0.00 3.03 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 0.00 663 K 8.48 4.19 0.00 1.77 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.05 7.81 * Residues marked with a * may have inaccurate shift predictions.