NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 496 P 4.2775 0.0000 0.0000 62.2706 33.0863 177.5386 497 G 3.9265 9.2790 105.4866 42.6999 0.0000 171.5770 498 F 5.3819 8.1034 114.6833 55.5363 42.3626 172.1590 499 Q 4.6299 9.2835 117.5775 54.0562 33.0169 174.4609 500 K 5.1051 8.7411 120.8437 54.7413 35.0928 175.5215 501 I 4.4979 8.6600 125.8023 59.4874 40.0423 175.1477 502 T 4.5409 8.6754 124.9241 63.6738 68.7097 174.2690 503 L 4.6775 8.6564 127.1899 53.1701 43.6841 176.8633 504 S 4.1377 8.5320 117.2308 57.9972 62.9356 175.3059 505 S 2.7900 8.0493 121.5832 59.8721 62.9026 175.5432 506 S 4.1427 7.6306 117.0144 60.8708 63.2395 175.4714 507 S 4.3626 7.8514 116.2608 57.9884 64.8127 175.1819 508 E 4.1196 8.7303 122.2191 59.0325 29.3239 178.9287 509 E 3.9436 8.2046 120.5747 59.3881 29.7681 177.8795 510 Y 3.9581 8.0372 119.4973 60.9450 38.9415 178.0857 511 Q 4.4713 8.3650 118.7939 58.3648 28.6273 178.5697 512 K 4.1667 8.2355 120.2841 59.4077 33.0071 179.4811 513 V 3.4685 7.3594 119.3977 65.4529 31.4315 177.6507 514 W 3.9699 8.4009 128.4929 60.7043 30.0971 177.6024 515 N 4.3568 8.5260 116.2975 56.2655 37.7343 177.4115 516 L 4.0477 7.5446 119.6525 57.6733 42.0600 178.8629 517 F 3.7735 8.1350 120.2779 61.4140 39.1030 176.7290 518 N 3.8673 7.9221 115.0795 56.0064 38.4785 176.5976 519 R 3.9313 7.2250 118.7495 58.6512 30.2810 177.8799 520 T 4.3429 7.3503 105.1327 60.8135 70.9916 173.7881 521 L 4.2852 7.0228 121.4009 52.8427 41.7497 175.8513 522 P 3.8553 0.0000 0.0000 64.5412 31.7979 177.6659 523 F 4.5402 7.3786 115.6275 57.4080 39.5448 174.5614 524 Y 5.0549 7.1786 118.4761 56.7964 40.3324 174.9328 525 F 4.9279 9.5486 118.8785 55.7398 42.0853 175.1919 526 V 4.1704 8.8914 124.7151 63.1626 31.4451 175.5202 527 Q 4.6813 9.1535 126.5011 56.7996 30.8143 175.9084 528 K 4.6711 7.6872 117.7318 55.4233 36.0102 174.3436 529 I 5.0646 8.5392 126.4683 59.7535 41.0048 173.7490 530 E 5.2246 8.9720 126.9515 54.4009 32.3945 175.3459 531 R 4.4995 9.2891 125.8128 56.0647 31.4239 175.1560 532 V 4.4262 8.4221 127.6802 62.2264 32.6818 175.2401 533 Q 4.5536 9.4573 127.9850 54.3792 30.8334 174.0525 534 N 5.3653 9.6392 124.1664 50.7942 40.6286 174.3033 535 L 4.0624 8.9334 127.3212 58.1974 42.1397 178.2253 536 A 4.2540 8.2419 119.8547 55.4510 18.4984 179.4696 537 L 4.1926 8.2394 117.4854 57.3738 41.7238 179.5540 538 W 3.8845 8.7752 128.8608 60.3394 30.5580 177.9334 539 E 4.0084 8.9286 119.2521 59.4983 28.9760 179.8163 540 V 3.6959 7.7549 118.9151 64.7027 31.4911 177.8723 541 Y 4.4300 7.8672 121.2093 60.2800 38.5562 178.0696 542 Q 3.6671 7.9524 118.9931 58.3489 28.7105 178.3327 543 W 3.9362 8.3892 129.7410 60.5329 30.5265 177.8625 544 Q 3.5546 8.0348 118.2864 58.6678 28.5464 177.6769 545 K 3.8313 7.5550 119.9054 59.3956 32.5018 178.4386 546 G 3.7389 7.9489 106.2337 47.7174 0.0000 175.8774 547 Q 3.9466 7.1557 117.1275 56.3175 28.3481 178.2136 *549 Q 4.4563 8.0542 121.6353 56.0028 30.6094 177.6228 550 K 4.1689 7.7079 115.0450 58.2494 32.1852 177.6579 551 Q 4.5428 7.3841 116.6575 55.6440 29.4962 175.2656 552 N 4.6810 7.9410 115.0232 52.5732 38.9786 175.1096 553 G 3.8702 8.8421 103.3682 46.9442 0.0000 174.9277 554 G 3.8550 8.4393 104.9268 45.2620 0.0000 174.4545 555 K 4.1101 7.7332 120.1896 55.1353 32.8388 176.7527 556 A 4.0454 8.3417 128.1428 52.3446 18.9339 177.0564 557 V 3.8473 8.0573 121.7048 62.0878 32.7350 175.0170 558 D 4.4515 8.8318 127.7352 54.7153 42.0642 174.0634 559 E 5.2050 8.7274 126.9961 54.4917 32.2171 175.0327 560 R 4.6703 9.2891 124.7135 54.6055 35.2466 174.4819 561 Q 4.8492 8.5725 120.2964 54.8904 29.3197 175.0215 562 L 4.8539 8.4630 124.0041 52.6967 45.9101 175.9210 563 F 5.2939 9.2735 120.3290 56.9588 41.1589 174.9739 564 H 4.8677 9.6472 122.4406 54.2880 31.8558 172.8618 565 G 4.1060 8.7754 113.6132 46.0418 0.0000 171.0509 566 T 5.1070 8.7033 117.5408 60.4846 72.1048 173.0037 567 S 4.7633 9.1208 118.6254 57.8027 63.9250 175.6283 568 A 4.1092 8.6029 124.7110 55.2720 17.8711 180.1836 569 I 3.6109 7.6023 110.3201 63.7219 37.6922 177.4679 570 F 4.7200 7.9462 118.2039 58.2172 39.0728 177.7694 571 V 3.9496 7.7475 119.2268 66.5095 31.4758 177.6771 572 D 4.3451 8.1914 117.7244 56.9699 40.6901 178.4026 573 A 3.9651 8.0158 121.0402 55.1619 18.4207 179.6201 574 I 3.3878 7.8332 118.2405 64.6952 36.8946 178.3778 575 C 3.8035 7.5387 116.0326 62.4658 27.8061 175.6294 576 Q 4.0991 7.0823 120.0611 57.5677 28.9999 176.2501 577 Q 4.3648 7.6436 113.8277 54.9636 29.4358 175.1082 578 N 4.2897 8.3096 115.0237 52.9654 39.8394 173.7618 579 F 4.0197 7.8760 119.4135 58.0128 39.5056 175.3022 580 D 4.4931 8.3641 123.4455 52.6423 42.5444 175.8382 581 W 4.3284 8.8765 125.0486 58.7087 28.3616 177.7963 582 R 3.7149 7.3112 117.0649 56.8643 29.8058 177.6956 583 V 3.6054 7.0730 118.2146 65.9265 31.4861 176.7072 584 C 4.2576 7.9344 115.1413 59.4422 28.9104 174.6611 585 G 3.9750 7.7097 107.2931 44.5813 0.0000 172.2229 586 V 4.3586 8.3393 117.1687 61.0353 33.6740 174.2901 587 H 4.9042 9.0092 126.1691 56.4312 32.5985 172.5337 588 G 3.8988 8.7104 117.1286 45.3629 0.0000 175.1836 589 T 4.1742 8.2361 112.5736 60.2341 68.1341 174.2324 590 S 4.3293 7.3779 117.2254 59.2489 64.6655 174.3393 591 Y 4.5251 9.7623 117.8036 57.1368 37.7124 174.9155 592 G 4.4862 7.8080 104.7853 43.4431 0.0000 175.2368 593 K 3.8239 8.4521 122.6157 54.3220 30.3431 176.1462 594 G 3.0962 6.7499 108.1949 44.5306 0.0000 169.5508 595 S 4.6830 8.6047 115.5518 58.6019 64.0562 173.5132 596 Y 5.0274 8.1283 119.7327 56.4463 40.5243 175.0987 597 F 5.1253 8.9965 119.7092 56.0298 44.2683 173.3108 598 A 5.2366 9.1844 122.5543 50.2049 21.8406 177.2206 599 R 3.9914 9.3145 122.6197 59.0619 31.0886 176.7014 600 D 4.8065 8.1329 119.3736 52.4650 42.3400 176.5816 601 A 2.9562 8.2771 126.5369 55.1923 17.5290 178.9905 602 A 3.7211 7.7592 118.8070 55.4633 18.0867 179.1334 603 Y 3.7592 7.8745 117.1237 60.5133 39.2146 177.5293 604 S 4.5435 8.1814 115.5747 60.9002 62.8137 175.6414 605 H 4.2616 7.6982 122.8701 59.0985 29.3137 176.1483 606 H 3.6730 8.2086 117.6156 59.5984 29.5134 175.5615 607 Y 4.1926 7.6317 115.5582 58.2265 39.0566 176.7283 608 S 4.8992 7.9126 118.1269 56.4923 61.4814 172.0352 609 K 4.3839 7.9872 121.4810 55.9869 32.7920 176.6959 610 S 4.6448 8.2348 116.9742 56.8161 65.6047 172.9180 611 D 4.6765 8.5605 122.6138 54.8181 41.9400 177.5230 612 T 4.2986 7.8879 108.5510 60.7599 68.7887 176.9597 613 Q 3.7523 7.8958 120.5888 57.1645 27.7466 172.9709 614 T 4.4817 7.9280 115.5128 63.3940 68.9671 174.0607 615 H 4.9304 8.7577 123.3901 54.2188 32.1564 173.0536 616 T 5.7386 8.0490 115.1975 60.8070 73.3308 172.8324 *618 F 4.8259 8.3601 120.2878 57.5998 41.1625 173.9343 619 L 4.7865 8.8842 124.8343 54.0321 43.2683 175.2035 620 A 5.2161 9.4019 128.6221 50.2523 22.5562 175.1377 621 R 4.7450 8.8281 121.0673 55.1561 31.5792 175.3458 622 V 4.6501 8.9931 127.3017 61.1528 34.2486 174.8324 623 L 4.6251 8.8715 129.4358 54.2685 39.6637 176.8598 624 V 3.7016 8.2669 116.8488 60.9380 32.3377 178.5328 625 G 3.6085 8.0968 109.2901 46.9446 0.0000 173.4030 626 E 4.5830 9.4830 123.3785 54.6354 31.3229 175.0094 627 F 5.9062 8.2017 117.8969 53.9799 41.4832 174.1119 628 V 4.3378 7.8926 117.9505 59.3623 35.1856 174.7133 629 R 4.2831 8.5676 120.4674 56.7437 30.4150 177.1374 630 G 4.2287 8.7386 111.2846 45.8105 0.0000 172.1757 631 N 4.7820 8.1691 115.8321 51.7246 41.5614 175.1423 632 A 4.4569 8.5614 126.3891 54.4347 18.6431 178.9702 633 S 4.3415 7.6695 108.7594 59.8374 63.7642 174.7488 634 F 4.6765 8.0136 122.2204 57.8313 38.9488 176.1601 635 V 4.3060 8.2632 117.7273 61.3869 32.4933 175.5029 636 R 3.4027 6.7052 114.0564 53.9437 31.5571 172.8270 637 P 3.9050 0.0000 0.0000 61.3931 32.1496 174.6444 638 P 4.5574 0.0000 0.0000 62.1043 33.0208 175.1805 639 A 3.8551 8.3318 122.2103 51.5426 17.9016 177.5381 640 K 3.8998 8.2486 122.4108 55.7299 32.6778 177.1836 641 E 4.1638 8.7672 123.7429 57.1322 30.6296 176.2641 642 G 4.3479 8.9175 113.5626 45.6408 0.0000 174.4292 643 W 4.0592 7.3198 119.5814 56.0169 28.0641 176.5153 644 S 4.1138 8.7273 118.5219 59.2125 61.8244 173.7790 645 N 4.0070 8.5155 125.6665 54.3717 37.4263 173.4467 646 A 4.6396 6.9501 117.0925 49.9730 21.2349 176.7785 647 F 4.9291 7.9947 118.8528 55.2637 42.4882 174.8251 648 Y 4.1390 8.1420 120.8717 58.6272 37.9223 175.8308 649 D 4.8552 9.4736 121.0306 56.0390 42.3004 176.4497 650 S 4.8883 7.9554 111.3221 57.8292 66.8269 172.7744 651 C 5.3422 8.9604 116.5329 58.2001 31.8433 173.9750 652 V 4.7918 8.4413 114.1251 58.2132 35.2482 176.0676 653 N 3.3914 7.8765 117.9614 54.9395 38.3493 176.1195 654 S 4.4174 7.1605 113.4809 56.5517 65.5103 174.7845 655 V 3.9610 8.5033 121.8003 64.5029 31.6155 177.8693 656 S 4.3179 7.9655 113.0614 61.0009 63.4671 174.3577 657 D 4.7227 7.7314 119.6236 52.3243 41.9654 171.6747 658 P 4.2976 0.0000 0.0000 61.6957 32.4269 177.1597 659 S 4.7122 8.8298 115.5621 57.5094 65.8875 173.5728 660 I 5.0185 7.4177 121.1305 59.3281 40.5932 174.3633 661 F 4.9657 9.2674 124.6533 55.4861 43.0508 174.0764 662 V 4.3224 8.7410 122.9413 61.0004 33.9312 174.0853 663 I 4.7358 8.5260 129.2377 59.8325 38.9417 176.4168 664 F 4.5546 9.2198 124.8993 57.3322 40.2469 175.2384 665 E 4.7521 7.9719 122.3204 53.8182 31.8054 176.4430 666 K 4.2278 8.7591 125.6934 60.0158 33.2599 178.6926 667 H 4.4260 8.3019 116.5028 58.6644 28.8694 176.5018 668 Q 4.4073 8.2188 116.9628 55.9888 28.5623 175.3520 669 V 4.9411 8.3174 118.2529 61.0435 34.5361 173.7913 670 Y 4.7783 8.6929 128.0260 54.8640 41.3328 172.5427 671 P 4.6394 0.0000 0.0000 63.1571 31.4105 175.2057 672 E 4.2859 9.0721 125.9960 57.6120 31.5226 175.1957 673 Y 5.3377 8.2558 115.9179 56.2368 42.9009 174.4755 674 V 4.0253 8.7326 123.3785 61.4247 33.5908 174.3926 675 I 4.8275 8.3233 128.9699 59.8983 39.3885 174.3903 676 Q 5.2674 9.1256 127.4417 54.5255 30.8514 174.5752 677 Y 5.4295 9.0733 121.2318 55.8956 42.4886 173.8382 678 T 4.9087 9.3324 116.2581 61.1393 71.6532 175.0571 679 T 3.3186 8.8240 122.9849 66.2936 68.7018 174.3019 680 S 4.5294 7.9670 118.2840 58.3835 63.3937 173.7291 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 496 P 0.00 4.28 0.00 1.79 2.04 0.00 3.70 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 1.75 1.83 0.00 497 G 9.28 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 0.00 0.00 0.00 498 F 8.10 5.38 0.00 3.10 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 0.00 499 Q 9.28 4.63 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 500 K 8.74 5.11 0.00 1.69 1.91 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.74 7.81 501 I 8.66 4.50 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.95 0.00 0.00 502 T 8.68 4.54 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 1.26 0.00 0.00 503 L 8.66 4.68 0.00 1.79 1.74 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 504 S 8.53 4.14 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 S 8.05 2.79 0.00 3.22 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 0.00 506 S 7.63 4.14 0.00 3.77 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 0.00 507 S 7.85 4.36 0.00 4.10 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 0.00 508 E 8.73 4.12 0.00 2.25 2.28 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 2.39 2.40 0.00 509 E 8.20 3.94 0.00 2.13 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 0.00 2.46 2.50 0.00 510 Y 8.04 3.96 0.00 3.19 3.07 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 0.00 511 Q 8.36 4.47 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 512 K 8.24 4.17 0.00 2.04 2.11 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.42 7.81 513 V 7.36 3.47 1.80 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 0.82 0.00 0.00 -0.04 0.00 0.00 514 W 8.40 3.97 0.00 3.13 3.34 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 0.00 515 N 8.53 4.36 0.00 3.02 2.93 0.00 0.00 7.09 6.82 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 0.00 516 L 7.54 4.05 0.00 1.93 2.00 0.90 0.84 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 0.00 517 F 8.14 3.77 0.00 3.04 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 0.00 518 N 7.92 3.87 0.00 1.44 2.20 0.00 0.00 7.38 7.69 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 0.00 519 R 7.22 3.93 0.00 1.96 1.88 0.00 3.15 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 520 T 7.35 4.34 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 1.11 0.00 0.00 521 L 7.02 4.29 0.00 0.28 0.79 -0.02 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 522 P 0.00 3.86 0.00 1.12 1.76 0.00 3.44 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.55 0.00 523 F 7.38 4.54 0.00 2.91 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 0.00 524 Y 7.18 5.05 0.00 3.00 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 0.00 525 F 9.55 4.93 0.00 3.03 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 0.00 526 V 8.89 4.17 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 0.74 0.00 0.00 0.39 0.00 0.00 527 Q 9.15 4.68 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.32 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 528 K 7.69 4.67 0.00 1.85 1.64 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.52 7.81 529 I 8.54 5.06 1.79 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.79 0.00 0.00 530 E 8.97 5.22 0.00 1.97 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 0.00 2.29 2.28 0.00 531 R 9.29 4.50 0.00 2.06 1.88 0.00 3.18 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 532 V 8.42 4.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 533 Q 9.46 4.55 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 534 N 9.64 5.37 0.00 2.82 2.85 0.00 0.00 6.56 6.49 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 0.00 535 L 8.93 4.06 0.00 1.86 1.75 1.01 1.08 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 0.00 536 A 8.24 4.25 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 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0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 563 F 9.27 5.29 0.00 3.10 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 0.00 564 H 9.65 4.87 0.00 2.84 3.37 0.00 5.95 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 0.00 565 G 8.78 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 0.00 566 T 8.70 5.11 4.60 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 1.69 0.00 0.00 567 S 9.12 4.76 0.00 3.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 A 8.60 4.11 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 0.00 569 I 7.60 3.61 1.55 0.00 0.00 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 1.23 -0.36 0.77 0.00 0.00 570 F 7.95 4.72 0.00 3.38 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 613 Q 7.90 3.75 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 614 T 7.93 4.48 4.16 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 1.14 0.00 0.00 615 H 8.76 4.93 0.00 1.52 2.89 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 T 8.05 5.74 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 1.20 0.00 0.00 *618 F 8.36 4.83 0.00 3.42 3.38 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 0.00 619 L 8.88 4.79 0.00 1.88 1.79 0.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 620 A 9.40 5.22 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 0.00 621 R 8.83 4.75 0.00 1.96 1.58 0.00 3.17 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 622 V 8.99 4.65 1.70 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 0.57 0.00 0.00 0.08 0.00 0.00 623 L 8.87 4.63 0.00 1.40 1.46 0.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 624 V 8.27 3.70 2.28 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 0.09 0.00 0.00 1.08 0.00 0.00 625 G 8.10 3.61 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 0.00 626 E 9.48 4.58 0.00 1.84 1.80 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 2.14 2.13 0.00 627 F 8.20 5.91 0.00 2.83 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 0.00 628 V 7.89 4.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.63 0.00 0.00 629 R 8.57 4.28 0.00 1.68 1.93 0.00 3.17 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 1.51 1.57 0.00 630 G 8.74 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 0.00 0.00 0.00 0.00 631 N 8.17 4.78 0.00 1.95 1.42 0.00 0.00 6.75 8.25 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 0.00 632 A 8.56 4.46 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 S 7.67 4.34 0.00 4.05 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 0.00 634 F 8.01 4.68 0.00 3.26 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 0.00 635 V 8.26 4.31 2.16 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 0.84 0.00 0.00 0.94 0.00 0.00 636 R 6.71 3.40 0.00 1.46 1.59 0.00 2.79 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 637 P 0.00 3.90 0.00 2.19 1.97 0.00 3.33 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 638 P 0.00 4.56 0.00 2.06 1.78 0.00 3.49 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.68 0.00 639 A 8.33 3.86 0.83 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 0.00 0.00 640 K 8.25 3.90 0.00 0.80 0.96 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.28 7.81 641 E 8.77 4.16 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 642 G 8.92 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 0.00 643 W 7.32 4.06 0.00 3.25 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 0.00 644 S 8.73 4.11 0.00 3.90 3.84 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 0.00 645 N 8.52 4.01 0.00 2.80 2.87 0.00 0.00 7.06 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 0.00 646 A 6.95 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 F 7.99 4.93 0.00 2.84 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 0.00 648 Y 8.14 4.14 0.00 2.84 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 0.00 649 D 9.47 4.86 0.00 2.77 2.74 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 0.00 0.00 0.00 650 S 7.96 4.89 0.00 4.16 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 0.00 651 C 8.96 5.34 0.00 3.09 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 0.00 652 V 8.44 4.79 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.75 0.00 0.00 653 N 7.88 3.39 0.00 2.40 2.22 0.00 0.00 5.67 7.64 0.00 0.00 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 S 7.16 4.42 0.00 3.70 3.66 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 0.00 655 V 8.50 3.96 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 0.78 0.00 0.00 0.93 0.00 0.00 656 S 7.97 4.32 0.00 3.98 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 0.00 657 D 7.73 4.72 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 1.15 1.31 0.00 3.38 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 659 S 8.83 4.71 0.00 3.76 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 0.00 660 I 7.42 5.02 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.85 0.99 0.00 0.00 661 F 9.27 4.97 0.00 2.85 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 0.00 662 V 8.74 4.32 1.76 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 0.07 0.00 0.00 0.02 0.00 0.00 663 I 8.53 4.74 1.98 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 1.29 0.81 1.01 0.00 0.00 664 F 9.22 4.55 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 E 7.97 4.75 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 666 K 8.76 4.23 0.00 2.10 2.16 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 667 H 8.30 4.43 0.00 3.38 3.53 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 Q 8.22 4.41 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 669 V 8.32 4.94 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 0.75 0.00 0.00 0.81 0.00 0.00 670 Y 8.69 4.78 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 671 P 0.00 4.64 0.00 1.78 1.36 0.00 2.99 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 672 E 9.07 4.29 0.00 2.28 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 0.00 1.85 2.48 0.00 673 Y 8.26 5.34 0.00 3.00 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 0.00 674 V 8.73 4.03 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 0.71 0.00 0.00 0.57 0.00 0.00 675 I 8.32 4.83 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.59 0.00 0.00 676 Q 9.13 5.27 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 677 Y 9.07 5.43 0.00 3.23 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 0.00 678 T 9.33 4.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 679 T 8.82 3.32 4.18 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 1.23 0.00 0.00 680 S 7.97 4.53 0.00 3.93 3.86 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 * Residues marked with a * may have inaccurate shift predictions.