NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.3952 8.3044 120.3557 55.5269 33.4363 173.8484 502 Y 4.1951 8.4016 122.2518 55.4498 39.6788 173.2345 503 D 4.4895 7.9662 126.7109 51.9865 43.4074 175.5538 504 W 3.8757 8.1532 135.0000 60.3825 30.7592 177.3402 505 F 4.0039 7.8837 117.1563 60.6881 38.4637 177.4447 506 S 3.9673 8.1062 112.0960 61.1180 62.1737 175.6234 507 E 3.7551 7.5291 121.5654 59.7461 29.3790 178.9001 508 M 3.5775 7.3279 118.5356 58.0356 31.4250 179.0156 509 R 3.9264 7.5166 117.4901 58.4903 30.1750 178.7403 510 K 4.0835 7.3412 118.4217 59.1831 32.4907 178.7396 511 K 4.2862 8.1573 117.4188 58.0342 33.3431 178.1259 512 D 4.8284 7.5287 120.3966 51.1680 42.0045 173.2883 513 P 4.6716 0.0000 0.0000 65.3774 32.4465 175.8249 514 V 5.1008 7.9926 111.6130 59.8912 33.3489 174.4609 515 Y 5.0572 9.8978 126.8552 56.0315 42.4823 173.0319 516 Y 4.0554 7.8788 127.2919 55.5939 39.7649 174.6417 517 D 4.2158 7.2333 124.9979 52.6200 39.9912 176.0066 518 G 3.7603 5.9078 111.7297 45.9777 0.0000 174.9981 519 N 4.6761 7.7329 116.7633 52.6060 38.9582 174.3802 520 I 4.9452 7.5179 110.8131 58.9877 42.0196 174.0827 521 W 5.1394 8.9929 122.1996 55.5539 31.2131 175.6091 522 Q 5.1401 9.4855 122.8541 54.1077 32.1437 174.4536 523 V 4.8837 8.6295 123.2694 61.3889 33.5471 175.7558 524 F 4.8530 9.6007 125.3439 57.3156 41.5432 175.9151 525 S 4.7625 8.1293 113.1301 56.8193 65.1479 174.5226 526 Y 3.9535 9.0971 122.2536 60.8076 38.5622 178.2610 527 R 3.8199 7.9513 118.4985 59.7946 29.8061 178.4840 528 Y 4.4146 7.1452 114.9093 60.7647 37.8146 178.3867 529 T 3.7692 7.7788 116.8844 66.3431 68.5492 176.3648 530 K 3.6333 7.7439 121.5316 59.6057 32.1305 178.3240 531 E 3.9277 7.8653 118.8748 59.2568 29.3432 178.9466 532 V 2.7521 7.6771 117.6816 65.6676 31.5420 177.7539 533 L 4.1404 7.8776 118.1830 57.7802 41.5487 178.8632 534 N 4.7372 8.4506 116.1356 54.8248 39.5253 175.5974 535 N 4.4731 8.1921 120.0844 52.1891 37.7426 175.0212 536 F 4.7805 8.0144 121.0576 58.3411 38.7744 177.8600 537 S 4.3746 7.4912 114.8580 60.0519 63.3633 174.7898 538 K 4.0337 7.8983 119.5702 56.6448 33.1083 175.1433 539 F 5.0321 8.2005 119.2761 55.3909 38.9181 174.8488 540 S 4.3951 9.0003 120.8347 58.2180 63.1482 174.8284 541 S 4.7039 9.3113 120.2218 58.4924 63.7789 174.4594 542 D 5.1912 8.1992 122.3448 53.6690 38.7494 175.7176 543 L 4.5921 7.7517 118.3882 54.9014 42.8852 177.5088 544 T 4.3854 7.9052 107.3716 60.9141 69.3066 174.2666 545 G 3.9489 8.3106 109.7390 47.4104 0.0000 175.6115 546 Y 4.6121 8.1177 120.6730 61.0753 38.6220 177.3079 547 H 4.0812 8.5329 115.1968 58.9307 28.9530 177.0047 548 E 4.1437 8.3342 119.5458 58.6036 29.9027 177.8649 549 R 4.4614 7.8059 115.9236 55.6350 30.5365 177.5730 550 L 3.9829 7.5324 122.3158 58.5428 41.7892 178.5853 551 E 3.9476 8.1107 116.1034 59.8303 29.8887 179.0236 552 D 4.4915 8.0321 117.4537 56.4218 40.3324 178.7773 553 L 3.9308 7.7386 120.2823 57.6984 41.6552 178.7517 554 R 4.3900 7.7504 113.7746 56.8149 29.6785 176.6634 555 N 4.8300 7.5003 114.7570 52.4168 39.5238 176.1718 556 G 4.0354 8.3310 105.2740 45.8081 0.0000 175.3215 557 K 4.0015 7.7109 118.5427 58.9209 32.1634 177.4076 558 I 4.1953 7.6020 120.5561 60.2067 37.1711 175.8686 559 R 4.2057 8.6761 125.4182 58.1535 30.5266 176.9051 560 F 4.8742 7.5778 116.4866 56.3538 42.6084 172.4500 561 D 3.8705 6.0955 123.0959 53.4873 43.7548 175.8221 562 I 3.8359 7.3992 123.1814 60.5055 37.3792 175.6218 563 P 4.3773 0.0000 0.0000 65.7523 31.3456 178.2816 564 T 4.1142 7.6469 106.1530 62.9653 68.7384 175.2517 565 R 3.8870 7.3434 120.4480 57.3303 30.6511 176.3467 566 Y 3.7485 7.0765 115.5468 55.6666 37.6731 173.8829 567 T 4.8086 7.6499 109.9411 59.1694 72.6429 175.9141 568 M 4.1103 8.4594 118.5399 58.0553 31.3608 177.4122 569 L 4.0525 7.5911 121.0066 57.9425 42.6300 178.1958 570 T 5.1674 7.5919 107.5696 59.2588 67.8965 174.2457 571 S 4.7528 7.5338 114.9694 57.9473 66.6256 173.5270 572 D 4.7120 8.6525 121.6173 51.7971 43.1060 174.2393 573 P 4.6405 0.0000 0.0000 61.7822 31.9887 175.9797 574 P 4.5029 0.0000 0.0000 64.9739 31.3796 178.1683 575 L 3.7479 7.9334 120.5909 58.5539 41.7324 177.8495 576 H 4.0649 7.9638 119.0581 58.8251 29.6545 176.6431 577 D 4.2458 7.9915 119.6753 57.3689 40.4623 178.4366 578 E 3.9473 7.8880 117.8563 59.4505 29.8283 179.2637 579 L 4.2742 8.0218 118.7993 58.0400 41.8828 179.5974 580 R 3.9539 8.5797 119.1227 59.3884 29.7480 178.6277 581 S 4.2525 8.1187 113.2477 61.3601 62.9582 176.1004 582 M 4.3184 8.0163 121.8371 57.3047 32.0584 176.9203 583 S 4.6810 8.2108 110.2379 57.2716 64.4566 175.4318 584 A 4.1997 8.2714 125.4089 55.6559 18.0489 179.0138 585 D 4.3196 7.5723 115.6350 56.9474 41.3475 178.8483 586 I 3.3296 7.1451 113.6342 63.5103 37.9615 176.4457 587 F 4.8620 7.1220 119.5728 56.6759 38.4954 175.3551 588 S 4.7238 7.6895 117.4984 56.7486 66.3353 171.9271 589 P 4.1456 0.0000 0.0000 65.9244 31.2584 178.5434 590 Q 4.1826 7.9290 115.1875 57.9783 28.8170 177.7609 591 K 4.0198 8.0187 121.8227 59.5919 32.5455 178.3693 592 L 4.1519 7.5616 119.0164 57.4632 41.5363 178.8261 593 Q 4.0208 7.7433 119.5084 59.6947 28.6905 178.9520 594 T 4.0193 7.4256 107.4550 63.9989 68.9799 175.3691 595 L 4.4469 8.3863 121.3066 55.3012 41.9291 177.9833 596 E 3.9752 8.1496 119.8931 60.1016 29.5045 179.1380 597 T 3.9039 8.0458 114.6331 66.8050 68.5595 176.1067 598 F 4.1334 8.2687 121.6226 61.3554 39.4419 176.9410 599 I 3.5229 8.3367 119.7221 64.3543 36.8888 178.2453 600 R 3.8971 8.7015 120.0782 59.6609 30.0034 178.3612 601 E 3.9242 8.5408 118.5640 59.6906 29.4529 179.5674 602 T 3.6892 8.1295 116.0237 66.6676 68.4243 176.8208 603 T 3.8342 8.4647 118.4504 66.8427 68.4072 176.5144 604 R 3.9207 8.1957 120.1620 59.6962 29.9016 179.0894 605 S 4.1123 7.7676 111.1656 61.2637 62.1779 175.7820 606 L 4.1329 8.0298 121.7818 57.7348 41.2380 179.5523 607 L 4.0942 7.9989 119.0705 57.8716 41.3622 179.0568 608 D 4.4685 7.7490 118.2282 57.3084 40.8237 178.5696 609 S 4.3017 7.6111 112.0931 59.0750 63.5967 174.4160 610 I 4.1428 7.4304 124.8240 60.7244 37.8049 174.8738 611 D 4.6427 9.7692 125.5772 52.3341 41.3914 175.0461 612 P 4.3231 0.0000 0.0000 65.8305 31.7320 178.7334 613 R 3.8542 7.8567 116.3890 58.4598 30.0939 176.4083 614 E 4.8458 7.4647 112.1929 55.5725 33.2405 173.6024 615 D 4.4756 8.6364 124.6053 53.7322 45.9557 173.7857 616 D 5.2332 8.3933 122.6513 52.6303 41.6590 176.8716 617 I 3.7420 8.4848 122.2649 63.5085 37.3653 178.3944 618 V 3.5082 8.2650 120.9004 65.8084 31.2109 177.8103 619 K 3.8957 8.0770 117.3042 59.5819 32.3157 178.4088 620 K 4.2375 8.0008 116.3811 57.8023 32.2380 177.1566 621 L 4.5239 7.6154 118.3280 55.8391 44.6635 177.7246 622 A 3.9898 8.3225 119.2064 55.2640 16.9451 179.6018 623 V 3.8053 7.9180 117.9345 65.0912 31.6947 176.4986 624 P 4.3140 0.0000 0.0000 65.4175 31.2609 177.9124 625 L 3.9369 7.6288 119.1193 58.1455 41.8301 177.4292 626 P 4.5513 0.0000 0.0000 65.0963 31.3737 178.7454 627 I 3.8193 7.3588 117.9642 64.5418 36.9659 178.5329 628 I 3.8909 8.0521 120.7283 64.4650 36.9709 178.7520 629 V 3.9464 8.0283 119.1712 66.1367 31.4491 178.0072 630 I 3.8966 8.2296 118.5105 63.9587 37.7645 178.0734 631 S 4.2020 8.3712 116.4673 61.2519 62.4204 176.4383 632 K 3.8907 7.7478 121.3550 59.6538 32.0094 178.7447 633 I 3.8063 7.4633 118.4237 63.9329 37.0724 177.7943 634 L 4.3580 8.0590 118.5747 54.8021 41.7524 177.7202 635 G 3.8697 8.2787 106.7412 45.9519 0.0000 173.3096 636 L 4.6754 7.6788 117.9639 52.0669 43.4397 174.8007 637 P 4.5212 0.0000 0.0000 62.2587 31.4106 177.5060 638 I 3.7895 8.6385 124.7505 63.5031 37.8090 177.3839 639 E 4.0424 8.1996 117.6168 58.6134 29.9083 177.5323 640 D 4.4750 8.0250 119.4766 53.7688 41.3328 177.8847 641 K 3.5548 7.5059 121.8089 60.5214 32.0993 178.6747 642 E 3.8867 7.9125 118.9304 58.8629 29.2084 179.4170 643 K 3.2503 7.5422 118.5533 58.8213 31.8336 179.4285 644 F 4.6270 7.1910 117.7034 60.3761 38.8318 177.4002 645 K 3.9417 8.4114 119.6532 59.5877 32.0798 178.3877 646 E 3.8751 7.9984 118.8650 59.6086 29.3377 179.7307 647 W 4.5570 8.1370 118.6431 59.6187 28.8164 178.9834 648 S 4.2052 8.2446 114.9390 61.8297 62.4270 175.9962 649 D 4.5363 8.1445 120.3087 57.5952 40.5978 178.0577 650 L 4.0675 7.8664 119.7502 57.0541 42.3196 176.6688 651 V 3.7718 7.8171 118.5141 61.7230 32.3269 175.4543 *664 L 3.8962 8.4076 128.1836 54.9220 42.4760 175.3810 665 G 4.3527 8.2267 114.0842 43.0171 0.0000 172.4831 666 K 3.9877 8.8241 117.2732 59.5689 32.0328 179.5167 667 K 4.1350 8.1924 118.0947 59.8412 32.0557 178.6055 668 Y 3.9293 8.1086 119.1626 60.4366 38.7712 177.4245 669 L 3.9841 8.4322 121.6456 58.4585 42.1855 178.8211 670 E 4.0320 8.8741 118.6720 59.2874 29.3791 179.2577 671 L 2.4400 7.3041 120.1052 57.4715 41.9979 178.9221 672 I 3.5728 7.2676 119.8658 64.3117 37.0818 178.4728 673 G 3.6923 8.0948 106.4281 48.0907 0.0000 174.9417 674 Y 4.0706 7.8500 121.0001 60.4639 39.1563 178.1175 675 V 3.7895 7.9395 119.1797 65.5493 31.5199 177.9269 676 K 3.8739 8.1398 119.5486 59.6855 31.9406 178.5238 677 D 4.4838 8.0352 116.9931 56.3743 40.6920 176.8508 678 H 4.7635 7.5940 116.0090 55.3908 29.2229 175.8001 679 L 4.1842 7.7732 120.5297 56.6723 41.4086 177.2601 680 N 4.8834 7.7245 115.5720 52.4007 38.0109 176.1813 681 S 4.1141 7.6737 116.1097 61.8396 62.3792 175.4492 682 G 4.0244 8.2825 106.6577 45.4471 0.0000 174.2676 683 T 4.1197 7.5756 110.1246 61.1890 71.0126 174.5506 684 E 3.8275 8.7488 121.8197 60.4015 29.5773 179.4480 685 V 3.3825 7.8106 116.4191 66.6886 31.3262 177.8491 686 V 3.5197 7.5353 116.6634 66.2394 31.4978 178.2151 687 S 4.0551 8.2833 115.0241 61.9073 62.5268 176.5956 688 R 3.8132 8.1290 119.8403 59.6586 29.4539 178.3436 689 V 3.5091 7.3807 117.1881 65.8369 31.3322 178.2391 690 V 3.6225 7.8089 117.1758 65.4045 31.4930 175.8089 691 N 4.7919 8.0628 115.0682 53.6403 38.8635 174.5030 692 S 4.7874 7.2838 111.6305 56.1495 65.7630 173.3757 693 N 4.5805 8.4944 115.8929 53.3906 37.5588 175.5197 694 L 4.1402 7.1774 118.5027 54.9432 42.3709 177.5833 695 S 4.4659 8.8336 116.5203 57.9405 65.2582 175.1753 696 D 4.3520 8.5338 121.8425 57.5627 40.4936 179.2336 697 I 3.6911 7.6152 119.7558 64.4922 37.2083 178.1913 698 E 4.0464 8.1137 119.3700 59.1843 29.1208 179.5317 699 K 3.9973 8.4238 118.9184 59.5522 32.1833 179.3436 700 L 4.1020 8.0341 119.2913 57.8317 41.5675 179.8903 701 G 3.6535 8.2144 105.6939 47.7409 0.0000 175.1794 702 Y 3.9511 8.2822 121.7970 60.6763 38.8358 178.2537 703 I 3.8686 7.7424 120.6338 64.5192 37.1842 178.4102 704 I 3.6574 7.8163 120.6901 64.1896 36.8709 178.1572 705 L 3.8983 7.9765 120.9873 58.3614 41.7979 179.1012 706 L 4.1526 7.8326 117.4100 57.6949 41.5843 179.0622 707 L 4.0916 8.1603 120.1443 57.3353 42.3303 177.9983 708 I 4.2540 7.9935 118.6423 62.0660 38.1048 177.5352 709 A 3.9419 8.2573 122.7431 54.7751 17.9332 178.4768 710 G 4.4851 7.9742 101.9964 45.4655 0.0000 174.7260 711 N 4.5203 8.0377 118.5532 55.7708 38.5548 177.0273 712 E 4.0220 8.0714 120.3029 59.3700 30.0155 179.2224 713 T 3.8682 7.8263 109.5019 65.3289 69.0300 176.6801 714 T 4.0172 7.6977 118.3638 66.1439 68.1434 177.0163 715 T 4.0023 8.0615 117.8281 66.8452 68.4254 176.3539 716 N 4.3714 8.4691 118.6232 56.2754 38.5080 177.2659 717 L 3.9898 7.9654 121.7758 58.0391 42.2519 179.1512 718 I 3.7148 7.8569 119.7862 64.4165 37.1429 178.4472 719 S 4.0446 8.3304 116.2385 61.9467 62.7340 176.6560 720 N 4.4834 8.6154 119.2693 56.3531 38.1010 177.8467 721 S 3.4039 7.7548 116.2188 61.2742 62.7816 176.6312 722 V 3.8357 7.4252 120.7275 66.1258 31.1409 178.1670 723 I 3.5764 7.4888 119.1739 64.3980 36.9425 178.1334 724 D 4.0929 7.8899 119.5908 57.4968 40.5962 178.8843 725 F 4.1047 7.6638 118.3932 60.7078 38.6199 178.0766 726 T 4.3485 7.7171 115.2045 66.7409 68.2347 177.1098 727 R 3.7080 7.8707 118.7751 59.2787 30.0187 177.9634 728 F 4.4151 7.7303 112.9783 56.9997 39.6903 174.9857 729 N 4.3200 7.6901 118.7504 54.8331 37.0478 174.0275 730 L 4.5992 8.7889 118.4140 53.8947 43.5214 178.1378 731 W 4.5084 8.1403 119.8665 60.1080 28.9530 177.7777 732 Q 3.9515 8.2307 118.4593 59.2004 28.5563 177.9855 733 R 3.8306 7.9192 119.1590 59.5313 30.1749 178.2967 734 I 3.3783 7.7390 119.6739 64.1841 36.9501 178.1705 735 R 3.8309 8.0375 119.5402 59.7126 29.7367 178.4730 736 E 4.0843 8.3382 117.6547 59.0684 29.6588 178.4417 737 E 4.2233 8.3240 115.7667 55.1594 30.7932 175.4797 738 N 4.0811 7.3807 115.6371 54.7318 37.8552 173.8936 739 L 4.4394 7.5129 114.8162 55.1752 42.7336 178.7613 740 Y 4.3354 7.8104 119.2426 61.5057 37.6580 178.7137 741 L 4.1043 8.0689 118.7328 57.9210 41.9170 179.6091 742 K 3.9933 8.0673 117.5261 59.5482 32.1015 179.2252 743 A 4.1574 8.8031 121.5989 55.2495 18.2415 179.7740 744 I 4.0825 8.0233 118.1138 64.4482 37.2177 178.4665 745 E 4.1048 8.2164 119.3812 59.3861 29.3065 178.9682 746 E 3.7564 8.2681 119.2062 58.9595 29.5435 178.7209 747 A 4.4730 8.1701 121.0943 55.1763 18.2124 179.6125 748 L 3.8563 7.7656 116.7654 57.6959 41.6857 179.5392 749 R 3.9828 7.5344 117.6662 59.6300 30.1821 177.6546 750 Y 4.2071 8.2918 118.2607 59.4440 40.1835 176.0979 751 S 4.6475 8.3259 115.0978 55.5256 63.3244 170.8219 752 P 4.3497 0.0000 0.0000 61.8665 32.2240 175.7353 753 P 4.6049 0.0000 0.0000 64.0746 32.5859 175.9148 754 V 4.6548 7.5805 119.0271 61.5039 32.5957 175.6126 755 M 4.5547 9.3180 129.0651 57.4177 33.2526 176.0468 756 R 4.6332 7.6071 112.7794 56.1507 32.5366 173.0112 757 T 4.6012 7.9676 113.0417 61.2762 71.3770 171.9232 758 V 5.0380 8.0388 121.3712 60.1587 34.8415 174.6403 759 R 4.9880 9.1136 119.3230 54.5254 35.2042 173.9160 760 K 5.0472 9.0224 122.1597 54.5943 35.1650 175.2453 761 T 4.2626 8.7173 118.7504 61.6800 69.1262 175.4215 762 K 4.0673 8.9986 128.9821 58.7660 32.9070 175.9709 763 E 4.5638 7.4613 115.5116 54.5094 32.0828 174.4175 764 R 4.3115 8.2326 116.7540 56.5075 29.9085 176.4148 765 V 4.3877 8.8398 122.0876 59.8221 35.5193 173.9602 766 K 4.5539 8.5005 123.8003 55.1310 33.1945 175.5303 767 L 4.4337 9.0407 131.4687 54.0029 44.3079 177.7061 768 G 3.5840 8.6757 119.4891 46.3705 0.0000 173.7946 769 D 4.8217 9.0501 123.4530 53.8158 42.7769 175.7339 770 Q 4.5405 7.7468 119.1710 55.0963 30.8810 174.8479 771 T 4.6966 8.2698 118.3974 61.9593 70.8726 173.5036 772 I 3.9163 8.7337 128.6139 59.4567 39.2482 176.0028 773 E 4.4306 8.4994 125.7994 55.1719 30.5017 176.2656 774 E 3.9603 8.2830 118.3155 57.4483 30.3007 177.0837 775 G 3.7570 8.6701 108.3107 46.0642 0.0000 173.0342 776 E 4.6605 7.9221 119.1256 54.6407 32.2882 174.7994 777 Y 4.8581 8.5276 121.0272 57.5719 39.7487 174.4039 778 V 4.7048 9.3807 125.1713 61.2638 33.8832 174.1124 779 R 4.6536 9.3976 129.9883 55.2876 31.7749 175.1700 780 V 4.3637 8.2784 119.8329 59.5519 34.3889 175.5182 781 W 4.4303 8.6499 126.3738 55.2757 28.5604 177.0389 782 I 3.6936 8.1474 125.5960 64.2832 36.4988 177.8004 783 A 4.0395 7.9886 120.6462 55.1847 18.5275 179.3419 784 S 3.9868 7.6768 110.9129 61.2116 62.6366 175.9797 785 A 4.1690 8.0702 123.4873 55.2359 17.9126 178.9446 786 N 4.4655 8.1191 113.1429 54.8937 38.6499 176.0236 787 R 4.4177 7.4639 118.0296 55.5287 30.8519 176.0140 788 D 4.4507 8.1154 119.1738 54.4606 41.8192 176.6055 789 E 4.1626 8.8515 127.0740 59.7499 29.6984 178.7524 790 E 4.0134 8.3946 117.6167 58.8424 29.5145 178.7454 791 V 3.8362 7.5662 116.0697 62.6860 32.7211 175.2806 792 F 4.5654 8.4839 119.3601 55.2230 38.7687 174.2453 793 H 4.1203 8.5649 125.1795 57.2764 30.4518 174.7989 794 D 4.5736 8.1221 125.0085 54.4027 38.0800 176.0074 795 G 3.7330 8.3055 108.7775 48.0540 0.0000 174.9394 796 E 4.3411 8.2142 116.7340 57.1317 30.3803 176.2079 797 K 4.2827 7.7739 119.4618 54.8049 33.8530 175.9374 798 F 3.8149 7.7914 124.1768 56.7551 39.0196 175.6899 799 I 4.2040 8.2403 131.7003 58.3968 37.0285 174.6184 800 P 4.1621 0.0000 0.0000 65.0827 30.9376 177.1152 801 D 4.8122 7.7018 116.0467 52.4893 39.6753 176.0374 802 R 3.8452 7.6778 120.2502 57.5362 30.3567 175.6230 803 N 4.5120 8.2170 120.3657 52.2287 41.6380 172.3065 804 P 4.6043 0.0000 0.0000 62.6613 32.5877 176.3320 805 N 5.1668 8.1144 116.1864 51.8025 38.8761 173.2142 806 P 4.7110 0.0000 0.0000 62.2237 31.0837 176.9524 807 H 4.8470 8.1363 113.2339 57.0346 29.6184 174.7444 808 L 4.8545 8.3106 117.3218 54.7060 42.1516 179.3167 809 S 4.0323 8.5150 117.3475 60.9814 63.0691 175.2360 810 F 4.7913 8.3585 117.1048 56.9307 39.6629 176.2828 811 G 3.7671 9.4105 108.0108 45.7541 0.0000 172.7834 812 S 4.4496 8.4459 111.6325 58.8170 65.6004 178.1922 813 G 3.9219 8.3888 112.1137 44.6504 0.0000 173.9954 814 I 3.7551 8.4261 111.3423 63.7118 37.6421 176.3223 815 H 4.6366 8.0428 115.8898 54.8720 28.9853 174.4463 816 L 3.8456 7.8348 121.5860 56.0094 42.2557 175.8825 817 C 3.5786 9.3216 125.7630 58.6838 31.1362 174.2306 818 L 3.8054 8.6320 130.4241 57.7822 41.9104 177.5974 819 G 3.6768 7.6310 105.3145 45.2854 0.0000 174.7630 820 A 2.8731 7.6255 123.6628 54.4306 18.0839 178.6903 821 P 4.1543 0.0000 0.0000 65.5879 31.3534 178.5596 822 L 3.9650 7.9048 118.1923 58.2106 42.1080 178.6170 823 A 4.0836 8.2796 121.0014 55.3931 18.2769 179.8087 824 R 4.0082 8.1707 116.5078 59.2115 30.0468 179.0819 825 L 3.9908 8.0150 120.0998 58.2251 42.2879 178.8697 826 E 3.9839 8.4699 118.3268 59.3817 29.3976 179.0989 827 A 4.1788 8.2676 120.8753 55.2438 18.4008 179.5883 828 R 3.9535 8.2840 117.1404 59.7958 30.2271 178.8046 829 I 3.6892 8.0988 119.5129 64.3697 37.0998 178.3437 830 A 4.1013 8.7624 121.9697 55.2176 18.1120 179.8425 831 I 4.1093 8.2633 118.5386 64.5602 37.1174 178.0936 832 E 3.5461 8.5489 119.8424 59.7439 29.0989 179.4031 833 E 4.0064 8.1569 117.1351 59.4138 29.7198 178.9990 834 F 4.4588 8.5284 121.0327 61.4037 39.3056 177.3813 835 S 3.7110 8.6287 112.8244 60.7686 62.9919 175.9033 836 K 4.1139 7.6335 120.5589 57.7994 32.0422 178.6196 837 R 4.1399 7.3853 118.3795 56.6741 30.9950 176.5099 838 F 4.7162 7.1156 111.8494 55.1794 39.5618 175.6248 839 R 4.0656 8.1732 120.9528 56.3329 31.1662 175.7055 840 H 4.8518 7.8161 115.9324 55.3387 33.7397 172.1848 841 I 4.7874 8.4773 125.7952 59.1203 41.1035 174.2284 842 E 4.6799 8.4437 124.6927 54.9701 33.1324 174.1535 843 I 4.2825 8.4247 125.0524 61.3528 37.2962 175.5009 844 L 4.5539 8.7550 126.9369 55.9492 43.5472 176.0303 845 D 4.7114 7.7231 115.8237 53.8331 44.7492 173.8041 846 T 4.8959 8.1678 115.1301 61.2290 70.7911 172.6350 847 E 4.6354 8.9214 126.9172 55.0562 33.0066 174.0067 848 K 4.6101 8.7413 127.3754 55.2829 33.4329 177.1281 849 V 3.6226 7.8684 124.9440 61.1856 31.8580 175.2157 850 P 4.4294 0.0000 0.0000 62.1461 29.4941 174.8472 851 N 5.0791 8.0741 119.8846 51.9166 42.3780 173.7606 852 E 4.7061 8.7193 118.1144 56.0666 31.2697 176.5541 853 V 4.2004 7.7984 118.0808 63.8478 34.5020 174.9395 854 L 4.9187 7.8803 119.9671 53.4923 42.4009 175.8271 855 N 4.6122 9.1480 124.6546 52.8456 40.3544 173.7429 856 G 4.4861 7.5067 114.7393 46.1954 0.0000 169.8114 857 Y 4.8743 8.4499 116.1933 56.2381 40.0467 176.2910 858 K 4.2754 9.5750 125.5643 58.8255 33.1045 177.2751 859 R 4.8453 7.9116 116.7477 54.6856 35.0395 174.6059 860 L 4.6744 8.4239 123.1815 53.8338 43.4923 172.6851 861 V 4.4093 8.4418 123.1054 62.0570 33.0887 174.9534 862 V 4.9425 8.9684 120.8092 59.4612 36.3997 174.3474 863 R 4.8184 8.5938 120.6348 54.8689 33.3115 173.5564 864 L 5.1607 8.5399 125.9946 52.7618 42.9395 175.9097 865 K 4.5719 8.8085 124.3776 54.6718 35.7166 176.3916 866 S 4.3889 8.6984 121.7814 58.7219 63.0547 173.9521 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 501 M 8.30 4.40 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 502 Y 8.40 4.20 0.00 3.00 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 0.00 503 D 7.97 4.49 0.00 2.67 2.34 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 0.00 504 W 8.15 3.88 0.00 3.29 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 0.00 505 F 7.88 4.00 0.00 3.10 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 0.00 506 S 8.11 3.97 0.00 4.21 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 0.00 507 E 7.53 3.76 0.00 1.86 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 2.42 2.29 0.00 508 M 7.33 3.58 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 0.00 509 R 7.52 3.93 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 510 K 7.34 4.08 0.00 1.93 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 511 K 8.16 4.29 0.00 1.55 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.55 7.81 512 D 7.53 4.83 0.00 2.53 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 0.00 513 P 0.00 4.67 0.00 2.37 2.41 0.00 3.69 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 2.31 2.46 0.00 514 V 7.99 5.10 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 0.40 0.00 0.00 1.12 0.00 0.00 515 Y 9.90 5.06 0.00 3.26 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 0.00 516 Y 7.88 4.06 0.00 1.43 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 0.00 0.00 0.00 0.00 517 D 7.23 4.22 0.00 2.79 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 0.00 518 G 5.91 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 0.00 0.00 0.00 519 N 7.73 4.68 0.00 2.82 2.89 0.00 0.00 5.76 7.81 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 0.00 520 I 7.52 4.95 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 1.06 0.00 0.00 521 W 8.99 5.14 0.00 3.65 3.28 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 0.00 522 Q 9.49 5.14 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 523 V 8.63 4.88 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 1.05 0.00 0.00 0.91 0.00 0.00 524 F 9.60 4.85 0.00 2.80 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 0.00 525 S 8.13 4.76 0.00 4.14 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 0.00 526 Y 9.10 3.95 0.00 3.15 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 0.00 527 R 7.95 3.82 0.00 1.33 1.33 0.00 3.07 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 528 Y 7.15 4.41 0.00 3.09 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 0.00 529 T 7.78 3.77 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 1.10 0.00 0.00 530 K 7.74 3.63 0.00 1.49 1.80 0.00 1.29 0.00 0.00 1.33 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.33 7.81 531 E 7.87 3.93 0.00 2.29 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 2.42 2.37 0.00 532 V 7.68 2.75 1.84 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 0.36 0.00 0.00 0.04 0.00 0.00 533 L 7.88 4.14 0.00 1.58 1.85 0.86 1.05 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 0.00 534 N 8.45 4.74 0.00 2.73 2.87 0.00 0.00 6.96 7.68 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 0.00 535 N 8.19 4.47 0.00 2.85 2.94 0.00 0.00 6.90 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 0.00 536 F 8.01 4.78 0.00 3.14 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 0.00 537 S 7.49 4.37 0.00 3.94 3.88 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 0.00 538 K 7.90 4.03 0.00 1.73 1.04 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.00 1.25 7.81 539 F 8.20 5.03 0.00 3.37 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 0.00 540 S 9.00 4.40 0.00 3.86 3.89 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 0.00 541 S 9.31 4.70 0.00 4.02 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 0.00 542 D 8.20 5.19 0.00 2.64 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 0.00 543 L 7.75 4.59 0.00 1.71 1.81 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 544 T 7.91 4.39 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 1.10 0.00 0.00 545 G 8.31 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 0.00 0.00 0.00 546 Y 8.12 4.61 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 0.00 547 H 8.53 4.08 0.00 3.34 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 E 8.33 4.14 0.00 2.02 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 2.34 2.43 0.00 549 R 7.81 4.46 0.00 1.89 1.90 0.00 3.55 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 550 L 7.53 3.98 0.00 1.94 1.67 0.84 1.17 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 0.00 551 E 8.11 3.95 0.00 1.98 2.00 0.00 0.00 0.00 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 2.41 0.00 552 D 8.03 4.49 0.00 2.67 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 0.00 553 L 7.74 3.93 0.00 1.93 1.57 0.34 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 554 R 7.75 4.39 0.00 1.78 1.95 0.00 3.27 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 555 N 7.50 4.83 0.00 2.77 2.75 0.00 0.00 6.91 7.81 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 0.00 556 G 8.33 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 0.00 0.00 0.00 0.00 557 K 7.71 4.00 0.00 1.94 1.88 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 558 I 7.60 4.20 1.79 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 1.28 0.48 0.84 0.00 0.00 559 R 8.68 4.21 0.00 1.87 2.06 0.00 3.19 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 560 F 7.58 4.87 0.00 2.93 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 0.00 561 D 6.10 3.87 0.00 2.53 2.47 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 0.00 562 I 7.40 3.84 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.73 0.00 0.00 563 P 0.00 4.38 0.00 2.19 2.27 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 564 T 7.65 4.11 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 1.27 0.00 0.00 565 R 7.34 3.89 0.00 0.67 1.50 0.00 3.05 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 566 Y 7.08 3.75 0.00 2.59 1.69 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 0.00 567 T 7.65 4.81 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 1.20 0.00 0.00 568 M 8.46 4.11 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 569 L 7.59 4.05 0.00 1.61 1.74 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 570 T 7.59 5.17 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 0.00 571 S 7.53 4.75 0.00 3.79 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 0.00 572 D 8.65 4.71 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 0.00 573 P 0.00 4.64 0.00 1.74 2.02 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 574 P 0.00 4.50 0.00 2.22 2.27 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 575 L 7.93 3.75 0.00 1.51 1.45 -0.31 0.69 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 0.00 576 H 7.96 4.06 0.00 3.23 3.17 0.00 5.69 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 0.00 577 D 7.99 4.25 0.00 2.81 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 0.00 578 E 7.89 3.95 0.00 2.10 2.02 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 2.33 2.33 0.00 579 L 8.02 4.27 0.00 1.85 1.74 1.06 0.89 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 0.00 580 R 8.58 3.95 0.00 1.59 1.77 0.00 3.05 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 581 S 8.12 4.25 0.00 4.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 590 Q 7.93 4.18 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 591 K 8.02 4.02 0.00 1.72 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 592 L 7.56 4.15 0.00 1.60 1.75 1.04 0.88 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 0.00 593 Q 7.74 4.02 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 594 T 7.43 4.02 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 1.27 0.00 0.00 595 L 8.39 4.45 0.00 1.94 1.87 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 596 E 8.15 3.98 0.00 2.07 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 2.38 2.59 0.00 597 T 8.05 3.90 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 1.31 0.00 0.00 598 F 8.27 4.13 0.00 3.16 3.30 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 0.00 599 I 8.34 3.52 2.05 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 1.59 1.21 0.96 0.00 0.00 600 R 8.70 3.90 0.00 1.91 2.11 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 601 E 8.54 3.92 0.00 2.08 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 0.00 2.32 2.64 0.00 602 T 8.13 3.69 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 1.07 0.00 0.00 603 T 8.46 3.83 4.39 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 1.26 0.00 0.00 604 R 8.20 3.92 0.00 2.06 1.99 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 605 S 7.77 4.11 0.00 3.88 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 841 I 8.48 4.79 0.56 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 1.20 0.68 0.69 0.00 0.00 842 E 8.44 4.68 0.00 2.02 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 2.14 2.26 0.00 843 I 8.42 4.28 1.81 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 1.30 0.72 0.81 0.00 0.00 844 L 8.75 4.55 0.00 1.46 1.67 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 845 D 7.72 4.71 0.00 2.69 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 0.00 0.00 0.00 0.00 846 T 8.17 4.90 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 1.26 0.00 0.00 847 E 8.92 4.64 0.00 2.04 1.79 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 2.23 2.32 0.00 848 K 8.74 4.61 0.00 1.60 1.55 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.48 1.25 7.81 849 V 7.87 3.62 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 0.60 0.00 0.00 0.91 0.00 0.00 850 P 0.00 4.43 0.00 2.05 2.06 0.00 3.61 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 2.01 2.05 0.00 851 N 8.07 5.08 0.00 2.58 2.84 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 E 8.72 4.71 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 853 V 7.80 4.20 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 1.03 0.00 0.00 0.84 0.00 0.00 854 L 7.88 4.92 0.00 1.53 1.58 0.96 0.94 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 0.00 855 N 9.15 4.61 0.00 2.76 2.90 0.00 0.00 6.47 8.76 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 0.00 856 G 7.51 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 857 Y 8.45 4.87 0.00 2.84 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 0.00 858 K 9.57 4.28 0.00 1.84 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.57 7.81 859 R 7.91 4.85 0.00 1.76 1.73 0.00 3.16 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 860 L 8.42 4.67 0.00 1.57 1.37 0.71 0.67 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 0.00 861 V 8.44 4.41 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 0.98 0.00 0.00 0.91 0.00 0.00 862 V 8.97 4.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.96 0.00 0.00 863 R 8.59 4.82 0.00 1.81 1.66 0.00 3.22 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 864 L 8.54 5.16 0.00 1.46 1.39 0.88 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 865 K 8.81 4.57 0.00 1.82 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 866 S 8.70 4.39 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.