NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 456 A 4.3563 8.2644 123.5688 51.7345 20.1101 176.2421 457 R 4.0564 8.2791 122.6828 54.6670 31.3325 173.5215 458 T 5.6933 8.4138 114.5909 59.1160 72.3980 172.5227 459 K 4.6874 8.0675 119.8693 55.4043 36.3828 175.1223 460 Q 4.7605 8.5521 120.8265 55.9033 29.4537 176.2094 461 T 4.1876 8.8954 113.8658 60.9967 70.0855 174.3518 462 A 4.0999 8.2455 126.4196 51.8442 18.9923 177.9221 463 R 4.0160 8.6328 122.0073 56.7779 30.8161 174.4499 464 K 4.0343 8.2955 121.0388 57.4234 33.6692 177.1077 *472 R 4.3379 8.2739 116.8685 56.3278 32.8152 177.1332 473 K 3.8513 8.1006 117.6438 59.6764 32.1935 177.8921 474 Q 3.9135 8.1931 119.2667 59.4389 28.7045 178.7297 475 L 3.9551 7.8156 120.3096 58.2177 42.2229 178.9131 476 R 3.9005 8.1241 118.0944 59.1535 30.0291 178.5521 477 E 3.9222 8.6294 119.4746 59.4017 29.7147 178.8902 478 R 3.9444 8.0481 118.5773 59.5293 30.0876 178.5204 479 L 4.0762 8.2407 119.0017 57.5720 41.4939 179.6740 480 V 3.5493 8.2408 118.7691 66.1434 31.4402 177.1576 481 Y 4.1290 8.0887 119.3034 61.1604 38.4387 178.3273 482 E 3.8253 8.1920 119.0642 59.0368 29.5268 179.2614 483 V 4.1633 7.8517 119.8431 65.7247 31.3880 178.3282 484 R 3.8701 7.9034 116.3853 59.1576 29.9946 178.3129 485 Q 4.0284 7.7656 114.8794 55.2915 28.8748 176.1108 486 K 3.8598 7.7806 118.4697 57.9128 29.8242 176.1648 487 C 4.6111 8.2580 115.2571 59.6534 29.3647 174.0197 488 R 4.6315 7.3268 119.3240 54.8084 32.9810 173.2305 489 N 4.9112 8.5327 121.3733 52.2803 39.7387 176.3982 490 I 3.7539 8.2986 122.1859 63.8973 38.4065 177.7653 491 E 4.0498 8.2005 118.7176 58.8061 29.3726 177.0844 492 D 4.8031 7.9634 117.0262 53.7607 41.4674 175.9822 493 I 4.6705 7.3623 113.1095 58.6141 40.6126 174.4540 494 C 4.4231 9.1062 123.1730 59.0672 31.0379 174.4666 495 I 3.9532 8.2300 121.7852 62.7661 37.7783 177.3450 496 S 4.4763 8.2170 116.6256 60.4709 62.5704 174.7094 497 C 4.7131 8.1721 110.3159 57.2239 30.7416 174.6300 498 G 3.9387 8.6782 109.4784 45.0050 0.0000 173.8889 499 S 4.1945 7.7872 114.4317 58.6571 62.8221 174.3588 500 L 4.4095 8.3035 124.5053 55.3077 42.5214 177.0445 501 N 4.5971 7.9624 120.1794 52.1907 37.3036 174.4736 502 V 4.0252 7.4259 119.2663 62.8683 32.5397 175.1882 503 T 4.7811 8.2308 115.6276 61.1977 70.1134 173.0376 504 L 4.5331 7.5832 121.4862 55.2439 44.0579 173.3818 505 E 4.8115 8.5912 119.0737 55.1467 30.6192 176.1597 506 H 4.1132 8.8156 125.3061 55.9409 29.8567 173.7678 507 P 4.4063 0.0000 0.0000 64.5348 32.0498 177.4906 508 L 4.2780 7.8982 118.4549 55.3905 43.7417 176.3899 509 F 5.4113 7.8624 114.6137 54.9961 42.7437 175.5094 510 V 3.6685 8.9273 122.8439 62.2295 31.9144 175.6346 511 G 4.3514 8.5639 115.1057 43.8404 0.0000 171.9037 512 G 4.3263 7.9944 108.7317 45.6497 0.0000 172.2801 513 M 5.2964 8.7598 118.4357 54.1604 36.0144 173.9761 514 C 4.8405 8.6843 120.0675 57.3790 31.8864 174.1891 515 Q 3.9023 8.2446 120.8320 59.6067 28.5555 178.3692 516 N 4.2837 8.1530 117.3357 57.0148 38.9115 176.4691 517 C 4.2384 8.0465 117.6745 62.3761 28.3398 175.5709 518 K 4.1039 8.3356 121.5444 59.8261 31.5075 178.3255 519 N 4.3273 8.4040 116.7737 56.7011 38.4575 177.1318 520 C 4.1971 8.1326 117.8407 62.7609 28.2650 175.8085 521 F 4.1239 8.6616 122.4611 61.5151 38.7436 177.0789 522 L 4.1955 8.0797 117.1939 57.8926 41.6879 179.2834 523 E 4.3132 8.1234 118.1894 59.8568 29.6108 179.1882 524 C 4.5044 9.1064 117.9729 62.0641 27.8676 175.9173 525 A 3.7645 7.9083 121.7477 54.3656 17.8651 177.6365 526 Y 4.5182 7.7816 112.3838 57.8800 38.7484 175.4989 527 Q 4.6007 7.9926 121.2040 54.6847 29.1529 174.2682 528 Y 4.7627 8.4304 120.2029 56.0436 41.1483 175.6162 529 D 4.7822 8.8598 123.5292 53.0614 42.2426 177.2687 530 D 4.6642 8.4615 118.9568 55.2310 39.5082 176.7306 531 D 4.5314 8.0729 118.5864 53.7863 39.6871 177.2836 532 G 4.0006 8.3457 108.6101 45.9243 0.0000 173.3247 533 Y 4.6412 8.6421 117.9953 56.0399 39.6988 175.2475 534 Q 3.6282 8.3197 121.6296 56.1380 29.2733 177.7480 535 S 4.1504 8.3715 117.7567 60.3038 62.9817 173.9239 536 Y 4.8623 7.0612 114.9454 55.3363 41.8958 174.3611 537 C 4.1739 8.7712 121.2222 60.1775 31.9746 174.9456 538 T 3.7990 8.2166 124.1901 66.6000 68.3465 175.9443 539 I 4.1658 7.7891 121.1432 63.7091 37.8525 176.4059 540 C 4.7818 7.9179 111.2921 56.4717 30.2504 173.7228 541 C 4.3416 8.3728 116.5526 60.6953 27.3269 172.3809 542 G 3.9377 7.3539 113.4996 43.9813 0.0000 177.7049 543 G 4.3232 9.3220 107.7682 45.6408 0.0000 172.6591 544 R 4.4213 8.5399 117.8396 57.3654 32.1696 175.8975 545 E 5.1261 8.0824 119.2023 54.3048 32.6856 174.6575 546 V 5.0134 8.8024 119.7476 59.4583 35.6687 174.7973 547 L 4.5942 9.2416 124.9379 54.6707 42.9397 175.6030 548 M 5.1594 8.7654 123.6780 53.4901 33.1081 175.7387 549 C 4.3327 9.3266 124.4825 59.8614 32.5146 174.6291 550 G 3.7177 9.3079 114.7335 46.5574 0.0000 173.0949 551 N 5.0468 7.5041 118.6132 50.9052 39.4302 175.3115 552 N 4.3826 8.6359 118.0935 55.6684 39.4047 175.2690 553 N 4.6430 7.7165 113.0682 53.8362 38.8576 174.6585 554 C 4.3117 7.7720 118.5671 61.1151 32.9673 174.8449 555 C 2.9432 7.6629 113.3728 60.0705 25.7718 173.0869 556 R 4.6150 7.3084 118.8377 56.1092 31.3637 175.3061 557 C 5.7267 8.3436 117.2522 58.3124 33.0974 173.1052 558 F 5.1617 9.2598 119.6665 55.9609 42.7536 174.6823 559 C 4.8980 8.9138 118.5936 57.3528 30.8797 174.9972 560 V 3.6725 8.3512 121.3302 64.6786 30.7391 178.3872 561 E 3.8841 8.0964 119.6585 59.5825 29.6581 178.4842 562 C 4.1586 8.0475 116.2803 62.5340 28.1907 176.1260 563 V 3.4501 7.8545 119.9158 66.2499 30.9242 177.8305 564 D 4.5702 8.2908 118.7762 57.1921 40.3726 178.8065 565 L 3.8257 7.9095 120.0294 58.0819 42.4431 178.3100 566 L 4.2583 8.3791 118.5241 56.2811 41.7153 179.2471 567 V 3.6827 8.0741 118.6763 64.8179 32.0664 175.5553 568 G 4.3593 6.8500 107.6023 42.8149 0.0000 170.2479 569 P 4.4871 0.0000 0.0000 63.9463 31.9382 176.1419 570 G 4.0519 9.0527 110.0070 45.8529 0.0000 175.4073 571 A 3.9760 8.1222 121.2575 54.9698 18.2396 179.6481 572 A 3.7962 8.0267 118.9205 55.4341 18.5454 179.6753 573 Q 3.8807 8.0022 117.4035 59.1551 28.9127 178.0968 574 A 3.9347 7.9656 120.9085 54.9777 18.7124 179.2272 575 A 3.7126 7.9091 119.1724 55.2207 18.1433 179.6131 576 I 3.4400 7.6029 117.5899 64.0352 37.2256 177.7145 577 K 4.3802 7.5156 116.1570 55.6450 33.0416 175.4209 578 E 4.4771 7.5035 121.2882 55.0258 30.6659 175.0019 579 D 4.6668 8.3795 125.1861 51.9970 43.9462 172.8445 580 P 4.6380 0.0000 0.0000 62.5188 32.6976 175.2299 581 W 4.7896 8.7426 130.5190 55.7200 33.5246 173.5191 582 N 4.8103 7.7665 124.1240 51.0835 40.2828 174.8221 583 C 2.4500 7.4209 117.9440 56.9225 30.7860 173.6705 584 Y 3.8324 6.6909 116.0392 60.3835 37.3322 177.5317 585 M 4.1301 7.9396 118.7525 57.4817 32.3905 177.3145 586 C 4.4182 7.6442 115.3915 60.3079 29.3170 174.6853 587 G 4.0352 7.7953 109.2021 45.0818 0.0000 174.2259 588 H 4.4552 8.8840 118.1756 58.0386 28.7820 176.8346 589 K 3.8039 8.2951 121.4467 57.3918 32.4016 178.0893 590 G 4.1137 8.1416 107.9054 45.0918 0.0000 173.0767 591 T 4.6642 6.5425 114.7525 61.6988 71.0430 173.4758 592 Y 4.5836 8.8503 124.1384 57.1598 41.2531 176.4610 593 G 4.0126 8.1754 117.5262 46.8360 0.0000 175.0924 594 L 4.1134 9.1459 126.6426 55.2646 42.0149 176.1183 595 L 3.9350 7.8084 122.3667 54.7544 42.8956 175.8697 596 R 4.9789 8.5691 127.5198 54.0649 32.5082 174.0861 597 R 4.4684 9.0429 127.9344 56.4109 29.6463 176.5279 598 R 4.1636 8.9316 125.8705 56.1843 30.6931 177.8273 599 E 4.2527 9.1918 123.1154 58.8175 29.9056 177.5173 600 D 4.9231 7.4501 116.0476 52.1841 40.1530 178.4280 601 W 4.5693 8.1758 121.4995 59.8145 27.9316 175.2056 602 P 3.8384 0.0000 0.0000 65.1520 30.6803 178.7075 603 S 4.1270 7.7556 112.6838 61.3430 62.9608 176.4607 604 R 3.9608 7.9987 121.7469 59.0072 29.9935 178.7586 605 L 4.1905 8.7132 120.3211 58.3182 41.9178 178.9527 606 Q 4.1772 8.1360 116.8767 59.3857 28.9125 178.4284 607 M 4.2793 8.4014 119.7624 58.4973 31.8045 178.4928 608 F 4.0313 8.5879 119.8837 61.0796 39.6473 176.4050 609 F 4.4369 8.4183 114.1753 58.1384 39.2981 176.2466 610 A 4.4434 7.7337 125.1841 52.2929 18.7229 176.7774 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 456 A 8.26 4.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 R 8.28 4.06 0.00 1.92 1.66 0.00 2.97 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 458 T 8.41 5.69 4.17 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 1.09 0.00 0.00 459 K 8.07 4.69 0.00 1.74 1.81 0.00 1.43 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.40 7.81 460 Q 8.55 4.76 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 461 T 8.90 4.19 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 1.27 0.00 0.00 462 A 8.25 4.10 1.24 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 0.00 0.00 463 R 8.63 4.02 0.00 1.85 1.94 0.00 3.37 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 464 K 8.30 4.03 0.00 1.67 1.54 0.00 1.49 0.00 0.00 1.12 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.37 7.81 *472 R 8.27 4.34 0.00 1.95 1.94 0.00 3.29 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 473 K 8.10 3.85 0.00 1.86 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 474 Q 8.19 3.91 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 475 L 7.82 3.96 0.00 1.80 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 476 R 8.12 3.90 0.00 2.05 1.97 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 477 E 8.63 3.92 0.00 2.23 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 2.30 2.37 0.00 478 R 8.05 3.94 0.00 2.03 2.14 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 479 L 8.24 4.08 0.00 1.87 1.71 0.93 0.84 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 0.00 480 V 8.24 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.96 0.00 0.00 481 Y 8.09 4.13 0.00 3.11 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 0.00 482 E 8.19 3.83 0.00 2.27 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 2.40 2.63 0.00 483 V 7.85 4.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 1.01 0.00 0.00 484 R 7.90 3.87 0.00 1.81 1.88 0.00 3.21 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 485 Q 7.77 4.03 0.00 1.68 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 486 K 7.78 3.86 0.00 1.86 1.89 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.34 7.81 487 C 8.26 4.61 0.00 2.86 2.93 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 0.00 488 R 7.33 4.63 0.00 1.78 1.69 0.00 3.17 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 489 N 8.53 4.91 0.00 3.01 2.98 0.00 0.00 6.69 7.47 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 0.00 490 I 8.30 3.75 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.92 0.00 0.00 491 E 8.20 4.05 0.00 1.99 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 2.42 0.00 492 D 7.96 4.80 0.00 2.82 2.69 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 0.00 493 I 7.36 4.67 1.88 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 1.35 0.75 0.92 0.00 0.00 494 C 9.11 4.42 0.00 2.95 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 0.00 495 I 8.23 3.95 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.91 0.00 0.00 496 S 8.22 4.48 0.00 4.12 3.94 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 0.00 497 C 8.17 4.71 0.00 3.08 2.99 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 0.00 0.00 0.00 498 G 8.68 3.94 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 0.00 0.00 0.00 499 S 7.79 4.19 0.00 3.88 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 0.00 500 L 8.30 4.41 0.00 1.68 1.69 0.93 1.02 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 0.00 501 N 7.96 4.60 0.00 2.66 2.76 0.00 0.00 7.09 8.07 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 0.00 502 V 7.43 4.03 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 1.00 0.00 0.00 0.97 0.00 0.00 503 T 8.23 4.78 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 0.00 504 L 7.58 4.53 0.00 1.71 1.79 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 505 E 8.59 4.81 0.00 1.92 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 2.30 2.33 0.00 506 H 8.82 4.11 0.00 3.18 3.47 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 P 0.00 4.41 0.00 2.12 2.02 0.00 2.54 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 508 L 7.90 4.28 0.00 1.27 0.75 0.96 0.90 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 0.00 509 F 7.86 5.41 0.00 2.82 2.85 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 0.00 510 V 8.93 3.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.02 0.00 0.00 511 G 8.56 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 0.00 0.00 0.00 0.00 512 G 7.99 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 0.00 513 M 8.76 5.30 0.00 2.13 1.87 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 2.53 2.54 0.00 514 C 8.68 4.84 0.00 3.10 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 0.00 515 Q 8.24 3.90 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 516 N 8.15 4.28 0.00 2.88 2.81 0.00 0.00 7.18 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 0.00 517 C 8.05 4.24 0.00 3.17 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 0.00 518 K 8.34 4.10 0.00 1.86 1.96 0.00 1.13 0.00 0.00 1.37 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.01 7.81 519 N 8.40 4.33 0.00 2.98 2.88 0.00 0.00 7.10 8.48 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 0.00 520 C 8.13 4.20 0.00 3.21 3.01 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 0.00 521 F 8.66 4.12 0.00 3.33 3.42 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 0.00 522 L 8.08 4.20 0.00 1.91 1.83 0.75 0.17 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 0.00 523 E 8.12 4.31 0.00 2.21 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 2.40 2.59 0.00 524 C 9.11 4.50 0.00 2.95 2.99 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 0.00 0.00 0.00 525 A 7.91 3.76 1.12 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 0.00 0.00 526 Y 7.78 4.52 0.00 3.13 3.13 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 0.00 527 Q 7.99 4.60 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 528 Y 8.43 4.76 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 0.00 529 D 8.86 4.78 0.00 2.88 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 0.00 530 D 8.46 4.66 0.00 2.79 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 0.00 531 D 8.07 4.53 0.00 2.86 2.85 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 0.00 532 G 8.35 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 0.00 0.00 0.00 533 Y 8.64 4.64 0.00 3.29 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 0.00 534 Q 8.32 3.63 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 535 S 8.37 4.15 0.00 3.36 2.99 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 0.00 0.00 0.00 536 Y 7.06 4.86 0.00 2.90 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 0.00 537 C 8.77 4.17 0.00 3.06 2.93 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 0.00 538 T 8.22 3.80 3.13 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 1.31 0.00 0.00 539 I 7.79 4.17 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.92 0.00 0.00 540 C 7.92 4.78 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 0.00 541 C 8.37 4.34 0.00 3.16 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 0.00 542 G 7.35 3.94 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 0.00 0.00 0.00 543 G 9.32 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 0.00 544 R 8.54 4.42 0.00 1.79 1.98 0.00 3.07 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 545 E 8.08 5.13 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 546 V 8.80 5.01 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 0.70 0.00 0.00 0.96 0.00 0.00 547 L 9.24 4.59 0.00 1.33 1.02 0.33 0.71 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 0.00 548 M 8.77 5.16 0.00 1.24 1.86 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 549 C 9.33 4.33 0.00 3.18 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 0.00 550 G 9.31 3.72 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 0.00 0.00 0.00 551 N 7.50 5.05 0.00 3.13 2.90 0.00 0.00 6.50 6.84 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 0.00 552 N 8.64 4.38 0.00 2.72 2.87 0.00 0.00 7.04 7.79 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 0.00 553 N 7.72 4.64 0.00 2.88 2.82 0.00 0.00 6.78 7.54 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 0.00 554 C 7.77 4.31 0.00 2.85 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 0.00 555 C 7.66 2.94 0.00 3.15 2.93 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 0.00 556 R 7.31 4.62 0.00 1.99 1.82 0.00 3.08 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 557 C 8.34 5.73 0.00 2.96 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 0.00 558 F 9.26 5.16 0.00 3.24 3.13 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 0.00 559 C 8.91 4.90 0.00 3.26 3.11 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 0.00 0.00 0.00 560 V 8.35 3.67 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 0.79 0.00 0.00 0.98 0.00 0.00 561 E 8.10 3.88 0.00 2.06 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 2.38 2.40 0.00 562 C 8.05 4.16 0.00 3.09 2.99 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 0.00 0.00 0.00 563 V 7.85 3.45 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 1.09 0.00 0.00 1.20 0.00 0.00 564 D 8.29 4.57 0.00 2.79 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 0.00 565 L 7.91 3.83 0.00 1.76 1.89 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 566 L 8.38 4.26 0.00 1.64 1.50 0.80 0.78 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 0.00 567 V 8.07 3.68 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 0.97 0.00 0.00 0.32 0.00 0.00 568 G 6.85 4.36 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 0.00 569 P 0.00 4.49 0.00 2.05 2.01 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 570 G 9.05 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 0.00 0.00 0.00 571 A 8.12 3.98 1.45 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 0.00 0.00 572 A 8.03 3.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.88 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 574 A 7.97 3.93 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 0.00 575 A 7.91 3.71 0.60 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 0.00 0.00 576 I 7.60 3.44 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.81 0.00 0.00 577 K 7.52 4.38 0.00 1.89 1.85 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.40 7.81 578 E 7.50 4.48 0.00 2.15 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 0.00 2.37 2.29 0.00 579 D 8.38 4.67 0.00 2.60 2.49 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 0.00 580 P 0.00 4.64 0.00 2.13 2.06 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 581 W 8.74 4.79 0.00 3.51 3.04 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 0.00 582 N 7.77 4.81 0.00 2.21 2.33 0.00 0.00 7.10 7.66 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 0.00 583 C 7.42 2.45 0.00 2.73 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 0.00 584 Y 6.69 3.83 0.00 2.75 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 0.00 585 M 7.94 4.13 0.00 1.63 2.08 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.87 0.00 586 C 7.64 4.42 0.00 2.70 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 G 7.80 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 0.00 588 H 8.88 4.46 0.00 3.31 3.43 0.00 5.54 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 K 8.30 3.80 0.00 1.86 1.58 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.37 7.81 590 G 8.14 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 591 T 6.54 4.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 592 Y 8.85 4.58 0.00 2.76 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 0.00 593 G 8.18 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 0.00 0.00 0.00 594 L 9.15 4.11 0.00 1.63 1.68 0.89 0.54 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 0.00 595 L 7.81 3.93 0.00 1.71 1.47 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 596 R 8.57 4.98 0.00 1.90 1.82 0.00 3.24 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 597 R 9.04 4.47 0.00 2.05 2.01 0.00 3.00 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 598 R 8.93 4.16 0.00 1.99 2.09 0.00 3.40 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 599 E 9.19 4.25 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 600 D 7.45 4.92 0.00 2.72 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 0.00 601 W 8.18 4.57 0.00 3.63 3.32 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 0.00 602 P 0.00 3.84 0.00 1.75 1.46 0.00 3.09 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 603 S 7.76 4.13 0.00 4.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 604 R 8.00 3.96 0.00 2.12 2.09 0.00 3.27 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 1.70 1.68 0.00 605 L 8.71 4.19 0.00 2.26 2.02 1.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 606 Q 8.14 4.18 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 607 M 8.40 4.28 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 608 F 8.59 4.03 0.00 3.22 3.47 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 0.00 609 F 8.42 4.44 0.00 3.30 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 A 7.73 4.44 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 * Residues marked with a * may have inaccurate shift predictions.