NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 E 4.1782 8.3027 121.4771 56.1502 32.0154 174.5859 526 V 3.5480 7.6200 123.8388 62.1089 31.8100 174.0895 527 H 4.4760 9.3510 130.6622 54.5732 30.8988 174.1522 528 A 4.1018 8.3730 130.8383 51.5481 18.0676 177.0627 529 K 3.7163 8.4883 122.2515 59.3483 32.6162 177.6913 530 F 4.7860 7.9846 116.3332 55.8561 42.7105 175.6005 531 D 4.8610 8.7494 122.1033 54.8415 41.6354 176.1796 532 D 4.7771 8.0880 119.4460 52.8421 41.6032 175.5438 533 Y 4.0775 9.0664 128.3898 61.0849 38.9676 177.2569 534 D 4.4486 8.5247 117.3952 57.4159 41.3655 177.9936 535 L 4.0736 9.0083 119.7246 57.7513 41.8661 180.2403 536 G 2.6125 7.8517 104.8221 45.8125 0.0000 174.5893 *538 E 4.1126 8.2674 122.6265 55.9584 31.6092 177.2171 539 Y 3.9676 8.1418 119.2192 60.6395 38.6954 177.9523 540 A 3.9631 8.1926 121.8633 55.0167 18.3248 179.5843 541 R 3.7907 7.8179 116.6834 59.8211 30.0810 178.6682 542 Q 3.9358 8.0836 116.5038 58.2749 28.6447 177.5833 543 H 4.5182 7.4668 114.2845 54.0178 29.8879 173.9480 544 N 4.2723 7.7345 117.1708 54.7633 36.5266 174.1131 545 K 4.3710 7.9108 115.2571 53.4942 35.5622 174.9338 546 P 3.8811 0.0000 0.0000 62.7500 33.0162 174.8942 547 V 5.3902 8.1359 120.3706 60.8228 35.1545 173.4506 *549 L 4.3395 8.3399 116.8912 54.9109 43.6259 175.5226 550 D 5.1415 8.8050 123.7550 52.2866 43.3595 174.3476 551 F 4.5737 9.0486 126.0506 57.5490 40.1284 174.8467 552 T 4.6984 8.5669 119.1277 62.0168 70.8085 172.3322 553 G 4.4445 8.1829 106.8326 44.8502 0.0000 173.1390 554 Y 4.3100 9.2005 120.5508 60.3078 37.9581 177.7602 555 G 4.0454 8.2843 107.1232 45.5237 0.0000 173.7419 556 C 4.3835 7.8646 121.4099 57.3438 31.8811 173.2176 557 V 3.5303 8.1041 128.3558 66.2407 31.0767 177.4527 558 N 4.0953 7.8591 114.0485 55.9644 38.3372 176.8708 559 C 4.2153 7.8017 117.3807 62.8767 28.5627 175.7416 560 R 4.2064 7.8852 119.6308 58.9749 29.5096 179.3327 561 K 4.3430 8.0220 114.8747 57.3140 31.5006 178.5605 *563 E 3.5810 8.0812 121.0281 56.2802 31.2698 178.3550 564 L 3.9689 7.9731 117.2145 57.4783 41.8550 178.4024 565 A 4.1863 8.3012 121.2208 53.8082 19.1219 177.9093 566 V 4.1827 7.5314 113.1709 64.3026 33.4972 177.6736 567 W 4.4226 7.7186 118.2762 59.6239 28.9306 177.5769 568 T 4.3398 7.8704 106.4904 62.8032 68.8580 174.8183 569 D 4.4526 7.9902 123.5237 53.5518 42.6172 174.7639 570 P 4.2456 0.0000 0.0000 65.6054 31.4820 178.8306 571 K 3.9216 8.0608 117.9459 59.3179 32.2138 178.7567 572 V 3.5970 8.1509 118.8139 66.1997 31.4754 178.2359 573 S 3.9452 8.1803 113.9259 61.2708 62.8027 176.1965 574 S 4.0512 8.1971 116.8294 61.2780 62.0422 176.3598 575 I 3.9803 7.6817 123.6956 63.8342 36.7495 178.5392 576 I 3.5888 7.7343 120.6683 64.4998 36.6878 178.3593 577 N 4.3965 8.3112 116.3522 56.0160 38.4365 176.5938 578 N 4.6269 8.2811 116.4582 54.4284 39.0749 175.7723 579 D 4.6346 8.4105 118.8959 54.2345 42.6043 175.6227 580 Y 4.4142 7.3313 113.9638 55.8608 40.7465 175.0488 581 V 4.3228 8.3249 122.0058 61.1784 33.3193 174.5750 582 L 4.3307 8.4980 131.1455 54.8923 43.5535 175.2860 583 I 4.9809 8.3659 126.6275 59.7438 40.4385 174.3793 584 T 4.4904 8.8148 119.1351 60.3946 70.4756 173.9852 585 L 4.1817 8.3308 128.1791 52.8138 43.4109 175.4993 586 Y 4.5734 8.2558 123.1689 57.0934 37.9836 177.2804 587 V 4.1799 9.1604 119.3891 63.0645 32.0215 177.5005 588 D 5.0188 8.0129 118.0358 52.6822 39.8506 175.5744 589 N 4.6521 8.2673 119.5798 54.5897 39.0755 175.5631 590 K 4.3431 8.6715 124.2188 57.1273 33.1618 177.0472 591 T 3.8727 8.6794 117.5205 63.3609 68.7312 171.9024 592 P 4.7779 0.0000 0.0000 62.1761 32.0327 176.4445 593 L 4.3127 8.5550 122.3131 54.7080 42.2482 177.7220 594 T 4.0764 8.4260 117.3047 66.4426 68.5911 174.8749 595 E 4.7256 7.6576 116.3284 53.6295 32.3691 172.8535 596 P 4.6246 0.0000 0.0000 63.3064 32.5127 175.4550 597 V 4.3545 8.6355 120.3320 61.0790 34.4327 174.4927 598 K 4.7266 8.6843 127.6729 55.8489 32.9226 176.4719 599 I 4.2587 8.6379 119.7117 59.8203 41.4328 174.8559 *601 E 4.1462 8.7362 122.4672 56.8024 29.7673 175.7177 602 N 4.3240 8.9260 126.7975 54.9698 37.8112 174.7713 603 G 4.1648 8.0716 103.4562 44.5401 0.0000 173.0070 604 T 4.6829 8.4761 111.9189 58.7017 72.5389 175.1023 605 E 4.4755 8.6917 126.9815 56.7205 30.6524 176.7748 606 R 4.7914 8.8387 124.8725 55.6113 34.5541 171.8383 607 T 4.8732 8.4053 116.7276 62.0617 70.6344 173.7615 608 L 4.5061 9.0450 127.4957 53.9015 43.0437 177.6663 609 R 4.5906 9.7803 121.1272 55.8089 33.5567 175.5308 610 T 5.0253 7.9814 107.5687 58.8663 72.0571 174.6258 611 V 3.7648 9.0950 122.6023 66.7084 31.2644 178.7723 612 G 3.9218 8.2212 106.3433 47.2903 0.0000 175.5180 613 D 4.3910 8.1871 121.0773 56.9775 40.7887 178.3195 614 K 3.6797 7.9307 120.1986 59.7784 31.9882 178.7558 615 W 4.5263 8.2500 118.6671 59.5875 28.5619 178.7348 616 S 4.2400 8.5745 115.5882 61.9050 62.3569 176.2514 617 Y 4.0643 8.2011 121.8605 60.8448 38.6347 177.9432 618 L 3.7723 8.2711 120.0980 57.5176 41.7299 179.1448 619 Q 3.7683 8.5861 120.1097 59.1083 28.8061 178.8619 620 R 3.8714 7.2098 119.5873 58.9235 30.0184 179.5281 621 V 3.4587 7.0621 110.5522 63.7670 31.5041 178.3708 622 K 3.8995 7.6138 117.3355 57.8175 30.9354 178.1977 623 F 5.0773 7.5869 114.6169 55.8754 39.8406 175.8838 624 G 3.9594 8.0738 106.1340 46.2698 0.0000 173.6061 625 A 4.4534 7.0915 119.4185 49.8351 21.7355 177.1640 626 N 4.8473 8.4601 115.4610 51.9813 38.4740 173.8292 627 A 4.7557 7.5119 120.7516 50.6364 21.7928 175.8537 628 Q 4.8140 8.0741 117.5162 53.0560 32.2401 174.1080 629 P 4.6146 0.0000 0.0000 62.9839 32.5899 175.5083 630 F 4.8321 8.5421 123.4007 57.0255 43.0295 172.5031 631 Y 5.2855 8.7129 124.0326 56.1971 40.7281 174.9091 632 V 4.6836 8.6339 123.1867 61.0259 34.7421 174.3934 633 L 5.0111 8.5678 127.1908 53.1451 43.7336 175.4196 634 I 5.2753 9.0558 117.1881 59.1849 41.7980 175.4506 635 D 4.8976 8.9931 123.6532 52.6765 41.1572 176.4228 636 N 4.6196 8.8623 114.8555 55.0786 38.6672 175.6648 637 E 4.4033 8.5346 116.5112 55.9805 30.2345 176.7394 638 G 4.1470 8.2291 107.9516 45.0322 0.0000 173.7257 639 N 4.5809 8.5293 118.7836 52.3289 39.0595 173.0333 640 P 4.9438 0.0000 0.0000 62.9455 31.9801 176.2633 641 L 4.5202 8.5254 121.5866 54.2528 42.0866 175.4281 642 N 4.4026 7.3688 115.5002 52.6699 41.4522 173.8191 643 K 4.2267 8.7083 120.9300 56.3004 32.5931 177.3067 644 S 4.6858 8.4393 116.9394 58.4326 64.5910 172.3969 645 Y 4.3913 8.3995 120.3117 54.8966 41.3310 173.2667 646 A 5.1776 8.2134 126.7670 52.5463 22.0848 177.5797 647 Y 4.4638 8.6917 122.2454 58.4037 39.1911 174.8060 648 D 4.0557 7.9826 126.0690 53.7801 43.3472 174.6797 649 E 4.2426 8.3692 126.9308 56.7115 29.7054 176.7658 650 D 4.6119 8.0138 119.7918 53.1052 41.6866 176.2723 651 I 3.7154 8.2785 128.9739 64.6730 37.2255 178.3946 652 S 4.1583 8.1782 115.3228 61.5781 62.6374 176.5452 653 K 4.0271 8.2929 121.8559 59.6718 31.9524 178.2595 654 Y 3.6499 8.1860 119.8144 60.5777 38.6336 177.5792 655 I 3.6626 8.3481 121.1824 64.7302 37.1957 178.0755 656 N 4.3208 8.3924 117.0403 56.1322 38.3682 176.9637 657 F 4.2149 8.4722 122.3491 61.5553 39.4125 177.3242 658 L 3.3423 7.5770 118.1431 57.7415 41.4140 179.6100 659 Q 4.0122 8.2681 118.2965 59.0675 28.5674 178.8678 660 T 3.9297 8.1633 117.1030 66.5752 68.5120 176.7258 661 G 3.6380 7.8004 107.5696 47.8629 0.0000 175.4428 662 L 3.8421 7.9409 122.7826 57.6852 41.5841 178.5715 663 E 3.9448 8.7133 119.6850 59.4499 29.3469 178.6096 664 N 4.3996 8.4020 115.9539 56.2159 38.9130 176.5074 665 Y 4.2246 8.1898 121.0109 60.9220 38.8032 178.4304 666 R 3.9698 7.9046 116.6066 58.3228 30.1683 178.5913 667 K 4.1876 7.4580 116.8504 58.4941 32.1764 177.7577 668 E 4.2109 7.5778 115.8051 56.5419 29.0846 176.7729 669 K 4.0123 7.4918 126.0437 56.5603 32.5808 175.7220 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 525 E 8.30 4.18 0.00 2.06 1.91 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 2.28 2.31 0.00 526 V 7.62 3.55 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 0.04 0.00 0.00 0.50 0.00 0.00 527 H 9.35 4.48 0.00 3.10 3.15 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 A 8.37 4.10 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 0.00 529 K 8.49 3.72 0.00 2.00 1.89 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.34 7.81 530 F 7.98 4.79 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 D 8.75 4.86 0.00 2.78 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 0.00 532 D 8.09 4.78 0.00 2.90 2.73 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 0.00 533 Y 9.07 4.08 0.00 2.72 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 0.00 534 D 8.52 4.45 0.00 2.92 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 0.00 535 L 9.01 4.07 0.00 1.75 1.80 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 536 G 7.85 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 *538 E 8.27 4.11 0.00 2.04 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 2.28 2.37 0.00 539 Y 8.14 3.97 0.00 3.05 2.64 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 0.00 0.00 0.00 0.00 540 A 8.19 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 541 R 7.82 3.79 0.00 1.85 2.04 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 542 Q 8.08 3.94 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 543 H 7.47 4.52 0.00 2.86 3.13 0.00 5.81 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 N 7.73 4.27 0.00 2.80 2.91 0.00 0.00 6.69 7.48 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 0.00 545 K 7.91 4.37 0.00 1.58 1.56 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.46 7.81 546 P 0.00 3.88 0.00 1.62 1.03 0.00 3.16 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.96 0.00 547 V 8.14 5.39 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 1.28 0.00 0.00 0.85 0.00 0.00 *549 L 8.34 4.34 0.00 1.65 1.31 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 550 D 8.80 5.14 0.00 3.02 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 0.00 551 F 9.05 4.57 0.00 3.22 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 0.00 552 T 8.57 4.70 4.20 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 0.45 0.00 0.00 553 G 8.18 4.44 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 0.00 0.00 0.00 554 Y 9.20 4.31 0.00 3.04 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 0.00 555 G 8.28 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 0.00 556 C 7.86 4.38 0.00 2.99 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 0.00 557 V 8.10 3.53 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 1.04 0.00 0.00 0.91 0.00 0.00 558 N 7.86 4.10 0.00 2.38 1.98 0.00 0.00 6.92 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 0.00 559 C 7.80 4.22 0.00 3.05 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 0.00 560 R 7.89 4.21 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 561 K 8.02 4.34 0.00 2.04 2.15 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 *563 E 8.08 3.58 0.00 1.98 1.86 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 1.47 1.47 0.00 564 L 7.97 3.97 0.00 1.79 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 565 A 8.30 4.19 1.25 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 0.00 0.00 566 V 7.53 4.18 1.68 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 0.62 0.00 0.00 0.72 0.00 0.00 567 W 7.72 4.42 0.00 3.44 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 T 7.87 4.34 4.27 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 1.32 0.00 0.00 569 D 7.99 4.45 0.00 2.85 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 0.00 570 P 0.00 4.25 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 571 K 8.06 3.92 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 572 V 8.15 3.60 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 1.09 0.00 0.00 1.14 0.00 0.00 573 S 8.18 3.95 0.00 4.03 4.31 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 0.00 574 S 8.20 4.05 0.00 3.96 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 0.00 575 I 7.68 3.98 1.93 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 1.53 1.03 0.99 0.00 0.00 576 I 7.73 3.59 1.51 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.47 0.00 0.00 577 N 8.31 4.40 0.00 2.68 2.84 0.00 0.00 7.08 7.95 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 0.00 578 N 8.28 4.63 0.00 2.72 2.84 0.00 0.00 6.96 8.83 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 0.00 579 D 8.41 4.63 0.00 2.77 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.33 4.41 0.00 3.01 2.75 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 0.00 581 V 8.32 4.32 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 1.04 0.00 0.00 1.15 0.00 0.00 582 L 8.50 4.33 0.00 1.70 1.46 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 583 I 8.37 4.98 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.84 0.00 0.00 584 T 8.81 4.49 3.74 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 1.30 0.00 0.00 585 L 8.33 4.18 0.00 0.59 0.85 -0.44 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 586 Y 8.26 4.57 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.16 4.18 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 1.18 0.00 0.00 1.12 0.00 0.00 588 D 8.01 5.02 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 N 8.27 4.65 0.00 3.15 3.11 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 K 8.67 4.34 0.00 1.79 1.86 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 591 T 8.68 3.87 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 592 P 0.00 4.78 0.00 2.06 2.00 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 593 L 8.56 4.31 0.00 1.58 1.60 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 594 T 8.43 4.08 4.25 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 1.22 0.00 0.00 595 E 7.66 4.73 0.00 2.01 1.86 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 2.17 2.28 0.00 596 P 0.00 4.62 0.00 2.06 2.08 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 597 V 8.64 4.35 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 0.84 0.00 0.00 0.91 0.00 0.00 598 K 8.68 4.73 0.00 1.62 1.66 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 599 I 8.64 4.26 1.43 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.72 0.31 0.00 0.00 *601 E 8.74 4.15 0.00 2.26 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 2.31 2.37 0.00 602 N 8.93 4.32 0.00 2.85 2.82 0.00 0.00 6.95 7.98 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 0.00 603 G 8.07 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 0.00 0.00 0.00 0.00 604 T 8.48 4.68 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 0.00 605 E 8.69 4.48 0.00 1.90 1.85 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 2.25 2.26 0.00 606 R 8.84 4.79 0.00 1.47 1.69 0.00 3.27 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 607 T 8.41 4.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 608 L 9.05 4.51 0.00 1.43 1.49 0.47 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 609 R 9.78 4.59 0.00 1.68 1.90 0.00 3.06 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 610 T 7.98 5.03 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 611 V 9.09 3.76 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 1.39 0.00 0.00 1.13 0.00 0.00 612 G 8.22 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 0.00 613 D 8.19 4.39 0.00 2.86 2.73 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 0.00 614 K 7.93 3.68 0.00 1.65 1.76 0.00 1.38 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.92 7.81 615 W 8.25 4.53 0.00 3.66 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 S 8.57 4.24 0.00 4.12 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 0.00 617 Y 8.20 4.06 0.00 3.04 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 L 8.27 3.77 0.00 1.80 1.76 0.12 0.97 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 0.00 619 Q 8.59 3.77 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 620 R 7.21 3.87 0.00 1.83 1.77 0.00 3.11 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 621 V 7.06 3.46 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 0.15 0.00 0.00 0.26 0.00 0.00 622 K 7.61 3.90 0.00 1.14 0.83 0.00 1.41 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.41 7.81 623 F 7.59 5.08 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 A 7.09 4.45 0.03 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 0.00 0.00 626 N 8.46 4.85 0.00 2.68 2.75 0.00 0.00 5.88 7.26 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 0.00 627 A 7.51 4.76 1.18 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 0.00 0.00 628 Q 8.07 4.81 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 629 P 0.00 4.61 0.00 1.65 1.91 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 630 F 8.54 4.83 0.00 3.17 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 631 Y 8.71 5.29 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 V 8.63 4.68 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 0.60 0.00 0.00 0.37 0.00 0.00 633 L 8.57 5.01 0.00 1.52 1.53 -0.18 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 634 I 9.06 5.28 2.04 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 1.11 0.00 0.00 635 D 8.99 4.90 0.00 3.16 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 0.00 636 N 8.86 4.62 0.00 2.79 2.94 0.00 0.00 6.73 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 0.00 637 E 8.53 4.40 0.00 2.12 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 2.26 2.31 0.00 638 G 8.23 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 N 8.53 4.58 0.00 3.07 2.84 0.00 0.00 6.97 7.59 0.00 0.00 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 P 0.00 4.94 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 641 L 8.53 4.52 0.00 1.60 1.83 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 642 N 7.37 4.40 0.00 2.56 2.72 0.00 0.00 7.11 6.68 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 0.00 643 K 8.71 4.23 0.00 1.90 1.81 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.44 7.81 644 S 8.44 4.69 0.00 3.19 3.77 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 0.00 645 Y 8.40 4.39 0.00 1.43 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 0.00 0.00 0.00 646 A 8.21 5.18 1.17 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 0.00 0.00 647 Y 8.69 4.46 0.00 2.89 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 0.00 648 D 7.98 4.06 0.00 2.42 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 0.00 649 E 8.37 4.24 0.00 1.84 1.82 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 2.04 1.68 0.00 650 D 8.01 4.61 0.00 2.86 2.65 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 0.00 0.00 0.00 0.00 651 I 8.28 3.72 1.89 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 1.63 0.34 0.94 0.00 0.00 652 S 8.18 4.16 0.00 4.04 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 0.00 653 K 8.29 4.03 0.00 1.97 2.16 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.73 1.57 7.81 654 Y 8.19 3.65 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 I 8.35 3.66 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.91 0.00 0.00 656 N 8.39 4.32 0.00 2.98 2.92 0.00 0.00 6.69 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 0.00 657 F 8.47 4.21 0.00 3.08 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 0.00 658 L 7.58 3.34 0.00 1.68 1.49 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 659 Q 8.27 4.01 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 660 T 8.16 3.93 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 1.23 0.00 0.00 661 G 7.80 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 L 7.94 3.84 0.00 1.92 1.82 0.54 0.62 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 0.00 663 E 8.71 3.94 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 664 N 8.40 4.40 0.00 2.92 2.90 0.00 0.00 7.01 7.05 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 0.00 665 Y 8.19 4.22 0.00 3.05 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 0.00 666 R 7.90 3.97 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 667 K 7.46 4.19 0.00 1.90 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.72 7.81 668 E 7.58 4.21 0.00 1.75 1.86 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 2.28 2.40 0.00 669 K 7.49 4.01 0.00 1.46 1.50 0.00 1.16 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.11 7.81 * Residues marked with a * may have inaccurate shift predictions.