NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 434 L 4.4776 8.2845 120.7730 54.0374 43.4602 178.4284 435 R 4.1241 8.1924 114.6573 59.2647 29.7567 178.8051 436 V 3.9993 8.6395 115.2118 63.2407 33.0602 179.6798 437 L 4.3782 8.1045 121.0095 55.1318 42.4385 176.8855 438 K 4.3564 8.4446 122.9304 52.0468 33.9142 175.2768 439 P 2.9700 0.0000 0.0000 65.1158 30.8817 179.1947 440 E 3.9933 7.9803 117.4997 61.2688 29.6108 181.2516 *441 W 4.1091 7.7717 120.9872 60.7845 28.3936 181.1317 442 F 4.7657 8.2513 116.0779 58.9687 40.1750 175.0123 443 R 4.9165 7.6094 120.3896 57.5403 29.4498 175.9791 444 G 3.9502 9.3811 114.0568 45.5493 0.0000 172.2133 445 R 4.7742 8.4855 118.9342 54.4958 33.6160 174.5684 446 D 5.3833 9.5386 120.7322 53.2822 42.5388 176.1252 447 V 4.9659 9.1899 123.6809 60.9548 34.6341 174.2441 448 L 4.3233 8.6395 129.7284 53.2479 44.2479 174.5971 449 D 4.9533 9.1140 127.9656 52.7232 41.9000 174.9233 450 L 4.0397 8.8036 127.4051 54.5524 42.2381 177.8131 451 G 3.9216 8.3977 112.3426 46.7834 0.0000 173.0189 452 C 4.3352 8.8913 115.8236 58.8051 31.9555 176.3235 453 N 3.8954 8.1492 118.1390 54.0406 35.6925 181.4253 454 V 3.7177 8.2806 110.2818 63.1948 31.8417 177.3732 455 G 4.2157 8.6411 111.4813 44.9784 0.0000 175.8357 *456 H 4.1021 8.4465 123.4768 60.4861 27.6617 182.3586 457 L 4.0964 7.8238 124.6203 59.4483 40.7179 180.7541 458 T 4.0641 7.9847 116.5690 66.7740 68.3368 176.4204 459 L 4.1045 8.5315 120.8368 57.8552 41.5941 179.6856 460 S 3.8027 7.9420 115.1409 61.4885 62.6529 176.9499 461 I 3.0174 7.6253 122.3129 64.0148 36.6044 178.2053 462 A 4.0204 7.5268 120.4137 55.9490 18.4727 178.6371 463 C 3.8292 8.1845 120.3408 62.2459 31.2633 176.2783 464 K 3.8046 8.0593 123.8025 56.8045 31.7532 180.0807 465 W 4.9480 8.3305 117.0538 55.3339 30.2783 175.6488 466 G 4.3232 7.7559 106.5829 46.1761 0.0000 171.5700 467 P 5.0762 0.0000 0.0000 62.3649 32.7360 177.4753 468 S 4.3613 8.4316 116.7819 61.5403 63.7351 173.5446 469 R 4.5995 7.6131 118.5151 55.0027 34.2313 173.3312 *471 V 4.1463 8.2935 118.6405 62.7387 33.0520 174.1971 472 G 4.3832 8.7047 116.0293 44.6728 0.0000 171.9236 473 L 5.4607 8.8122 128.2455 53.5236 44.9934 174.5970 474 D 4.9627 8.7976 123.6299 53.0270 44.6089 175.9280 475 I 4.3286 8.5608 122.8624 62.1686 38.6760 175.5783 476 D 4.7858 8.3573 120.6262 52.5639 42.2045 176.8902 477 S 4.2351 8.5902 123.2177 61.1503 63.2646 176.5412 478 R 3.8665 8.5047 122.5156 59.2126 29.7839 178.8527 479 L 3.9351 7.9297 118.1752 57.8551 41.7002 179.4270 480 I 3.4982 7.5282 119.2784 64.4741 37.0274 177.8772 481 H 4.0368 8.3686 119.1554 59.4696 29.6024 177.3049 482 S 4.0204 7.9665 114.2247 61.1784 61.8960 175.9830 483 A 3.9037 7.4452 124.3680 54.4453 18.0012 179.5572 484 R 4.0434 7.5450 115.7474 59.3421 30.5410 178.9940 485 Q 4.1453 7.9270 117.6715 58.1752 28.3817 176.8196 486 N 4.8998 7.4653 116.5666 52.8838 39.5125 174.4444 487 I 4.5205 7.1036 122.4446 59.9306 40.6334 176.0612 *539 V 3.9698 7.9210 117.4018 59.8540 32.7973 172.8647 540 P 4.6645 0.0000 0.0000 62.0589 31.8747 176.8851 541 L 4.0915 9.3064 122.5503 57.4390 41.9005 176.7929 542 D 4.3618 7.3012 115.0620 53.2518 41.7548 176.5259 543 G 3.5784 8.8215 106.9182 48.1271 0.0000 174.4171 544 A 4.0688 8.4874 122.0784 53.1902 18.7519 176.9872 545 D 4.7052 8.1736 116.4750 52.9463 40.6400 175.2072 546 T 4.6072 8.1819 115.8508 61.2430 69.1336 176.4560 547 S 4.6023 7.8202 115.8493 59.1578 64.0446 174.1253 548 V 4.5110 7.2625 120.7504 60.3399 34.2507 174.1624 549 F 5.0145 9.1402 127.2106 57.7508 39.5878 172.9903 550 P 3.2224 0.0000 0.0000 62.4572 31.3630 176.0090 551 N 4.4840 8.0703 116.1157 54.5508 38.8401 175.1909 552 N 4.9846 8.2189 115.2097 51.4762 37.9509 174.1953 553 V 4.7042 7.3446 117.6730 60.3705 34.2584 175.0925 554 V 4.5115 7.9554 115.0605 59.7910 36.5588 173.8171 555 F 5.4664 8.7040 119.7484 55.8685 42.1995 175.0333 556 V 4.5860 9.1575 121.8204 61.5104 35.1852 174.0847 557 T 5.0185 8.4627 123.5241 62.4585 69.7578 174.3847 558 G 4.0391 8.8245 112.0897 45.8436 0.0000 171.7387 559 N 5.0003 8.7944 120.8776 52.1441 39.0005 174.6220 560 Y 4.0788 8.7135 127.9886 59.5691 39.2859 175.5849 561 V 3.5607 7.6611 120.2734 61.9229 31.4405 175.3932 562 L 4.2895 7.8672 127.4604 53.9285 42.5716 177.1001 563 D 4.4838 8.5473 121.5552 56.6629 41.4033 177.4329 564 R 4.8198 7.5900 118.4866 54.1326 35.4666 176.5529 565 D 4.4483 8.5562 122.8638 58.5058 39.6614 179.6705 566 D 4.6074 7.9765 118.5235 56.2216 39.7132 178.3987 567 L 4.0541 7.7997 120.0465 57.7797 41.8558 179.0560 568 V 3.4686 7.4799 117.6381 66.2150 31.1484 177.0889 569 E 4.1889 7.8604 115.6569 57.4979 29.6802 177.4084 570 A 4.3180 7.9019 119.4533 52.9975 19.3263 177.1852 571 Q 4.0979 7.3942 119.6169 56.4596 29.4111 175.9187 572 T 4.6752 8.2897 116.2041 59.2065 71.5500 172.4217 573 P 4.7628 0.0000 0.0000 63.1690 31.5714 176.3521 574 E 4.5981 9.8184 119.6495 55.8457 33.0319 174.7451 575 Y 4.8052 7.9764 116.0806 56.3761 41.9687 175.6678 576 D 4.6893 9.3080 120.2703 55.2853 43.2750 176.9593 577 V 4.9154 7.7391 117.5638 61.0469 35.3433 174.0599 578 V 4.6826 8.6529 127.1772 61.0701 34.4432 173.9303 579 L 4.7512 9.1923 128.5068 53.9013 43.3491 175.3414 580 C 4.7309 9.2694 125.0208 56.9696 32.1661 170.3144 581 L 4.8806 8.1965 120.7825 52.7067 43.5152 176.1733 582 S 3.9980 8.8552 121.1099 60.0120 61.4054 173.6293 583 L 4.8360 7.9549 121.8101 56.1961 43.6678 176.6871 584 T 3.8718 8.1169 109.4605 64.8074 68.2582 175.9859 585 K 3.5708 7.8111 123.4857 58.4803 32.1238 178.9230 586 W 4.2380 7.7199 118.5955 59.6622 28.9686 178.5849 587 V 4.3754 8.0302 118.0624 66.1830 30.9545 177.5306 588 H 4.3532 8.8454 120.9649 60.0698 29.6297 177.9579 589 L 3.9896 8.2473 124.4163 59.4445 40.5813 180.4469 590 N 4.3549 7.7629 115.4208 54.3737 38.7437 176.0429 591 W 4.9760 7.9776 116.9137 55.1365 32.1463 176.3031 592 G 4.1995 8.5928 110.3946 44.6251 0.0000 174.1539 593 D 4.4912 8.9491 119.6729 58.2362 40.5671 179.7720 594 E 4.0910 8.2646 118.0802 61.2598 29.6366 181.3556 595 G 3.8451 7.9394 105.7115 47.3988 0.0000 175.2574 596 L 3.8293 7.8219 124.3051 58.3439 42.3513 179.5330 597 K 4.3813 8.1954 123.8937 59.5731 31.4609 180.3523 598 R 4.5697 7.6413 117.1188 56.7906 30.3262 178.7461 *600 F 5.1488 7.9980 118.8176 57.8907 41.1419 177.6074 601 R 4.0015 8.3831 120.1662 59.3063 29.7160 178.4511 602 R 3.8638 8.3044 118.7088 59.5072 30.0759 178.2422 603 I 3.9857 8.1738 119.1539 64.8697 36.9357 177.3263 604 Y 3.7951 8.0869 118.5592 60.9887 38.6821 178.4260 605 R 3.9906 8.1167 117.1767 59.1007 30.3803 178.1100 606 H 4.6621 8.6567 118.4771 57.6909 30.0097 174.8044 607 L 4.8609 7.0238 119.7830 54.2699 42.5710 177.2502 608 R 4.3309 8.7020 121.4011 54.6076 32.0122 174.1863 609 P 4.4172 0.0000 0.0000 63.8931 31.4583 177.0871 610 G 3.9250 9.0724 112.7898 44.9747 0.0000 173.7741 611 G 4.0756 8.2875 108.0322 46.0619 0.0000 172.7991 612 I 5.4433 8.9386 113.4401 58.8078 41.5749 173.8772 613 L 5.1474 8.9150 125.7603 53.4077 44.7568 175.0837 614 V 4.6494 8.9111 127.3015 61.6474 33.0765 174.1104 615 L 5.1876 9.3374 130.7724 53.4436 45.0252 174.8026 616 E 5.1171 8.9775 127.0635 52.7597 29.9765 172.6762 617 P 5.2082 0.0000 0.0000 61.0850 32.8302 175.8636 618 Q 4.3495 8.7025 121.4026 54.8586 29.7770 174.6273 619 P 4.6000 0.0000 0.0000 61.8356 32.4378 177.1858 620 W 3.8863 9.2579 133.2725 61.4443 30.5313 178.9342 621 S 4.2229 8.7629 116.7418 62.1046 60.4888 179.3093 622 S 4.0022 8.4711 117.9859 61.0376 62.3330 177.7744 623 Y 3.5701 8.4449 119.0777 61.0253 37.7494 178.7298 624 G 3.7268 7.4053 109.3083 49.0645 0.0000 174.6806 625 K 3.5645 7.2891 121.5063 56.5844 32.3508 179.6295 626 R 3.7776 8.6460 125.3302 57.0773 26.3408 173.3933 627 K 4.4691 7.6649 119.0590 55.8853 32.2087 180.2659 628 T 4.7405 7.7085 111.6221 62.0028 69.9182 179.1951 629 L 4.2581 8.2414 126.9924 58.5537 41.4750 181.6327 630 T 4.8250 7.4628 113.0262 61.6051 73.4876 179.6714 631 E 4.2881 8.8871 124.6751 61.8784 29.8439 181.0359 632 T 4.1146 7.8927 116.3661 66.9544 68.6398 180.4469 633 I 4.3812 7.6956 126.7972 65.0171 35.6170 180.1989 *634 Y 4.4974 8.1367 126.3019 62.1319 36.3435 181.4323 635 K 4.3841 8.3952 126.1856 59.4443 31.5843 180.6614 636 N 4.7106 8.1196 118.0189 57.0046 38.4338 177.4558 *637 Y 3.8317 7.8863 118.3375 59.7574 36.9142 179.1832 638 Y 4.5395 7.5413 117.3452 59.6973 38.7170 177.7491 639 R 4.2287 7.5717 116.8132 57.9691 29.8894 181.9916 640 I 3.9844 8.1033 120.5223 63.1848 37.0498 176.3823 641 Q 4.5027 9.7003 123.1278 54.2152 29.1077 171.6051 642 L 4.5852 8.1423 122.3325 54.6362 42.9727 176.7114 643 K 4.4349 8.1503 127.6382 53.1019 32.9673 173.3529 644 P 2.0000 0.0000 0.0000 66.2264 30.8748 179.3674 645 E 3.9627 8.0462 117.7042 61.1241 29.6906 180.8293 646 Q 4.6689 7.7365 117.4551 57.3922 28.8909 181.6841 647 F 4.7408 7.7820 119.1250 61.8594 38.7864 177.5943 648 S 4.0387 8.0015 114.1655 62.2644 63.0974 176.9182 649 S 4.3134 7.9305 121.9691 63.0288 62.2037 177.4349 650 Y 4.4395 8.3010 123.2946 60.4760 38.4767 177.6754 651 L 3.8581 8.3902 120.2984 56.5678 41.2770 178.3482 652 T 5.2896 7.3301 108.3550 59.9194 69.5481 174.4702 653 S 4.5995 6.9087 116.7872 56.5088 64.6500 173.3555 654 P 4.1822 0.0000 0.0000 65.5675 31.2561 177.8549 655 D 4.3341 7.4511 116.5249 56.5598 40.4323 176.7407 656 V 3.7742 7.9925 116.5672 63.2518 32.7913 175.1650 657 G 2.6135 7.8646 111.6465 44.8391 0.0000 173.8617 658 F 4.3189 7.7810 123.1507 59.1723 39.2999 177.1600 659 S 4.4744 9.2555 126.7689 62.3810 62.8643 171.5146 660 S 4.9184 8.2151 114.7764 58.9892 66.6364 177.2560 661 Y 5.5521 8.1611 117.8936 58.8568 40.7226 174.1617 662 E 4.4889 8.1237 114.9316 55.2898 33.9752 173.6657 663 L 4.4085 8.4546 123.6275 55.1921 42.9657 175.1276 664 V 3.9846 8.4232 121.2524 64.7693 33.7099 176.4948 *676 R 4.2401 7.5308 117.0742 54.8350 30.9441 175.6574 677 P 4.4151 0.0000 0.0000 63.2482 32.2446 175.3036 678 V 4.7615 7.7686 118.8494 61.4353 34.7746 173.7312 679 Y 5.3232 9.4813 126.6264 56.8152 42.3740 174.7965 680 L 5.2749 8.8364 124.0743 53.2045 44.2023 175.8028 681 F 5.1048 9.0636 122.5814 55.0797 41.8092 174.1042 682 H 5.4820 9.4887 121.0881 54.1427 31.3921 173.4983 683 K 4.9613 9.1566 124.2013 54.3782 33.9215 175.4977 684 A 4.3899 8.9211 131.3049 52.9999 19.7933 178.3076 685 R 4.1441 8.4532 117.6854 56.3999 29.6808 176.1662 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 434 L 8.28 4.48 0.00 1.68 1.66 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 435 R 8.19 4.12 0.00 1.91 1.87 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 436 V 8.64 4.00 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 0.91 0.00 0.00 0.93 0.00 0.00 437 L 8.10 4.38 0.00 2.11 2.09 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 438 K 8.44 4.36 0.00 1.65 1.66 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 0.99 7.81 439 P 0.00 2.97 0.00 1.70 1.11 0.00 3.21 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.11 0.00 440 E 7.98 3.99 0.00 2.06 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 2.23 1.95 0.00 *441 W 7.77 4.11 0.00 2.61 2.24 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 0.00 442 F 8.25 4.77 0.00 3.26 3.26 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 0.00 443 R 7.61 4.92 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 444 G 9.38 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 0.00 445 R 8.49 4.77 0.00 1.80 1.87 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 446 D 9.54 5.38 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 V 9.19 4.97 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 0.97 0.00 0.00 1.22 0.00 0.00 448 L 8.64 4.32 0.00 0.27 0.77 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.11 4.95 0.00 2.79 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 0.00 450 L 8.80 4.04 0.00 1.60 1.43 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.40 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 0.00 452 C 8.89 4.34 0.00 3.30 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 N 8.15 3.90 0.00 2.89 2.30 0.00 0.00 7.02 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 V 8.28 3.72 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 0.71 0.00 0.00 0.88 0.00 0.00 455 G 8.64 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 *456 H 8.45 4.10 0.00 2.93 3.11 0.00 7.19 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 7.82 4.10 0.00 1.64 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 458 T 7.98 4.06 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 459 L 8.53 4.10 0.00 1.80 1.73 1.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 460 S 7.94 3.80 0.00 3.71 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 I 7.63 3.02 1.64 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 0.74 0.38 0.57 0.00 0.00 462 A 7.53 4.02 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 C 8.18 3.83 0.00 1.55 2.32 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 0.00 464 K 8.06 3.80 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.30 7.81 465 W 8.33 4.95 0.00 3.47 3.08 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 0.00 466 G 7.76 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 467 P 0.00 5.08 0.00 2.17 2.18 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 468 S 8.43 4.36 0.00 3.94 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 0.00 469 R 7.61 4.60 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 *471 V 8.29 4.15 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 0.72 0.00 0.00 1.09 0.00 0.00 472 G 8.70 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 5.46 0.00 1.73 1.42 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.63 1.85 0.00 *600 F 8.00 5.15 0.00 3.35 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 0.00 601 R 8.38 4.00 0.00 2.06 2.04 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 602 R 8.30 3.86 0.00 1.80 1.79 0.00 2.64 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 603 I 8.17 3.99 2.38 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.38 1.17 0.00 0.00 604 Y 8.09 3.80 0.00 2.75 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 0.00 605 R 8.12 3.99 0.00 1.99 2.19 0.00 3.45 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 606 H 8.66 4.66 0.00 3.58 3.45 0.00 5.59 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 0.00 607 L 7.02 4.86 0.00 1.59 1.52 1.18 1.44 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 0.00 608 R 8.70 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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 2.29 2.17 0.00 617 P 0.00 5.21 0.00 2.28 2.43 0.00 4.14 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 618 Q 8.70 4.35 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 619 P 0.00 4.60 0.00 2.27 2.05 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 620 W 9.26 3.89 0.00 3.25 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 0.00 621 S 8.76 4.22 0.00 3.69 3.90 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 0.00 622 S 8.47 4.00 0.00 3.64 3.90 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 0.00 623 Y 8.44 3.57 0.00 2.27 2.35 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 0.00 624 G 7.41 3.73 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 0.00 0.00 0.00 625 K 7.29 3.56 0.00 1.77 1.67 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.29 7.81 626 R 8.65 3.78 0.00 1.93 1.82 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 627 K 7.66 4.47 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 0.99 7.81 628 T 7.71 4.74 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 0.00 629 L 8.24 4.26 0.00 1.66 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 630 T 7.46 4.82 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 0.00 631 E 8.89 4.29 0.00 1.97 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 0.00 2.31 1.94 0.00 632 T 7.89 4.11 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 0.00 633 I 7.70 4.38 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 1.49 1.53 0.91 0.00 0.00 *634 Y 8.14 4.50 0.00 2.31 2.33 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 0.00 635 K 8.40 4.38 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 636 N 8.12 4.71 0.00 3.01 2.88 0.00 0.00 6.96 7.96 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 *637 Y 7.89 3.83 0.00 2.30 2.25 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 0.00 638 Y 7.54 4.54 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 0.00 639 R 7.57 4.23 0.00 1.85 1.84 0.00 3.28 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 640 I 8.10 3.98 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 1.09 0.00 0.00 641 Q 9.70 4.50 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 642 L 8.14 4.59 0.00 1.53 1.88 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 643 K 8.15 4.43 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.03 7.81 644 P 0.00 2.00 0.00 1.99 2.09 0.00 3.65 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 2.27 2.26 0.00 645 E 8.05 3.96 0.00 2.06 1.89 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 2.24 1.96 0.00 646 Q 7.74 4.67 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 647 F 7.78 4.74 0.00 2.96 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 0.00 648 S 8.00 4.04 0.00 3.00 3.24 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 0.00 649 S 7.93 4.31 0.00 3.76 3.91 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 0.00 0.00 0.00 650 Y 8.30 4.44 0.00 3.11 3.17 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 0.00 651 L 8.39 3.86 0.00 1.10 1.06 -0.69 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.33 5.29 4.37 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 1.53 0.00 0.00 653 S 6.91 4.60 0.00 3.99 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 0.00 654 P 0.00 4.18 0.00 2.01 2.12 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 655 D 7.45 4.33 0.00 2.34 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 0.00 656 V 7.99 3.77 1.90 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 0.82 0.00 0.00 0.62 0.00 0.00 657 G 7.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.32 0.00 3.39 3.26 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 0.00 659 S 9.26 4.47 0.00 3.40 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 0.00 660 S 8.22 4.92 0.00 3.37 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 0.00 661 Y 8.16 5.55 0.00 1.55 2.44 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 0.00 662 E 8.12 4.49 0.00 1.64 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 2.22 1.86 0.00 663 L 8.45 4.41 0.00 1.70 1.56 0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.42 3.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 *676 R 7.53 4.24 0.00 1.90 1.74 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 677 P 0.00 4.42 0.00 1.82 2.14 0.00 3.68 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 2.27 2.10 0.00 678 V 7.77 4.76 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 1.08 0.00 0.00 1.00 0.00 0.00 679 Y 9.48 5.32 0.00 3.13 2.76 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 0.00 680 L 8.84 5.27 0.00 1.29 1.51 0.92 1.26 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 0.00 681 F 9.06 5.10 0.00 2.16 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 0.00 0.00 0.00 682 H 9.49 5.48 0.00 3.19 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 K 9.16 4.96 0.00 1.68 1.73 0.00 0.61 0.00 0.00 1.49 0.00 0.00 2.53 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.21 1.20 7.81 684 A 8.92 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 685 R 8.45 4.14 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.