NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 R 4.2200 8.2544 120.8572 55.5558 31.9838 175.2604 545 Q 3.8010 7.8195 118.1708 56.1960 29.6882 173.0078 546 Q 4.6514 8.7973 123.9268 54.4091 31.3328 174.5126 547 F 5.0639 8.2040 121.5566 54.6282 42.7892 173.3876 548 P 4.4074 0.0000 0.0000 63.0644 31.7553 178.0046 549 V 3.6050 8.6730 122.9775 64.0763 31.5165 177.4706 550 E 4.0365 8.0527 119.9869 58.2467 29.6830 176.3700 551 H 4.6287 8.4752 114.5296 55.7784 29.2154 174.3896 552 V 4.3205 7.4079 121.1783 61.2783 33.2150 174.7320 553 Q 4.9238 8.4160 126.3655 54.2671 32.2076 174.3642 554 L 4.8423 8.6185 121.1323 53.1617 43.9825 175.8929 555 L 5.1724 8.5953 122.9394 52.5985 46.0380 175.3227 556 C 4.5240 8.5593 122.2706 59.2289 31.9838 174.4853 557 I 3.5613 8.2933 120.2259 64.3961 37.2293 177.1948 558 N 4.4632 8.6565 120.6853 55.7907 39.5030 175.1121 559 C 4.4499 8.0348 110.8937 57.6108 30.8535 174.6116 560 M 3.2128 8.6045 119.4059 55.6738 30.0899 177.0932 561 V 3.6527 7.2885 118.6018 61.6421 31.8786 175.3441 562 A 4.4941 8.5876 126.8912 52.2340 18.5404 177.3648 563 V 3.2996 8.6432 115.7858 60.0012 34.2393 176.2790 564 G 3.7716 6.4467 105.5243 46.1192 0.0000 171.0272 565 H 5.0347 7.7221 115.3986 53.5529 32.3639 174.9418 566 G 3.3919 8.7296 112.7103 48.2653 0.0000 175.6888 567 S 4.2047 7.8748 113.0281 60.2395 63.4175 174.4657 568 D 4.6520 8.0916 120.7251 54.7669 41.3227 176.2226 569 L 4.6708 7.3307 119.8495 54.7238 42.5349 176.5164 570 R 4.8598 9.1345 120.3292 54.4712 35.4485 174.0121 571 K 4.5351 8.6094 122.0665 54.7878 34.0649 174.9509 572 V 4.3569 9.0305 129.2516 62.4007 33.2966 176.0349 573 E 3.5893 9.8600 125.5225 57.3377 28.6304 177.6352 574 G 3.9445 8.1698 108.4867 47.4853 0.0000 174.1711 575 T 4.0368 7.1478 115.6950 64.8690 69.2772 174.5963 576 H 4.1560 6.7554 117.0964 56.8979 30.7036 174.2086 577 H 4.8339 8.5241 119.4469 54.1227 30.7074 174.1653 578 V 5.4487 8.2324 115.8962 58.4951 35.6144 174.0394 579 N 4.9575 8.6710 122.1026 52.3855 39.6935 174.8064 580 V 4.4650 8.4420 118.9862 61.2016 32.9243 175.0161 581 N 4.8123 8.8721 121.8801 51.6242 39.2763 174.2813 582 P 4.6004 0.0000 0.0000 65.0520 32.0356 178.0145 583 N 4.2947 9.0964 117.7049 55.7790 38.3293 176.6285 584 F 4.7578 8.4055 123.0308 61.6423 39.4849 177.0380 585 S 2.8822 7.7730 112.7701 60.3011 62.3564 175.6244 586 N 4.2527 8.1724 119.5911 54.9900 38.5911 174.6947 587 Y 4.7976 8.0542 117.6597 57.7171 39.8360 174.7114 588 Y 5.1283 7.0494 116.0110 55.2121 41.7153 174.3539 589 N 5.1042 8.9844 117.4786 51.6460 41.6830 173.9242 590 V 5.0065 8.3955 121.6530 61.4062 33.6845 174.9037 591 S 4.7154 8.7988 120.4728 56.3813 66.8666 173.9279 592 R 4.5307 8.5375 119.0834 56.8021 30.1208 177.4425 593 D 4.3105 7.6466 120.5605 56.9477 41.2363 176.9330 *604 W 5.0743 7.5799 117.4648 56.5806 29.5407 172.8163 605 K 4.5169 9.5470 124.4953 53.9064 33.2262 173.4921 606 P 4.5154 0.0000 0.0000 63.7475 31.3701 176.3840 607 G 4.0721 8.9208 106.3848 46.0944 0.0000 172.4334 608 G 4.1194 7.5008 106.3046 46.3153 0.0000 171.6781 609 V 4.7838 8.6422 120.9217 61.3071 33.8064 174.4534 610 I 4.8327 8.6552 128.7395 59.8863 38.9594 174.9327 611 S 4.4716 8.4219 120.2126 56.1922 67.1289 172.9142 612 C 3.3218 8.2253 123.4255 59.5281 31.5298 174.5981 613 R 3.8687 8.5169 126.1941 59.5842 29.7608 178.0700 614 N 4.4700 8.4167 116.6181 56.1682 39.0709 174.9938 615 C 4.6701 7.7197 107.5495 56.8345 31.0048 174.5719 616 G 3.7599 8.5566 109.0322 45.3252 0.0000 173.1878 617 E 4.0156 7.7311 121.5821 55.9309 30.6368 176.1722 618 V 4.0970 8.4249 127.3480 62.9869 31.8928 175.3719 619 W 4.9370 10.7604 126.4605 55.5037 32.0829 176.4664 620 G 4.6337 7.0332 106.1893 45.9487 0.0000 170.7788 621 L 5.1004 7.8379 121.2979 52.9800 46.0732 175.9612 622 Q 4.6496 9.1366 123.5413 55.4334 29.9210 173.9163 623 M 5.1513 8.8903 126.8214 53.7068 35.0878 175.2397 624 I 4.9854 9.3692 124.8209 60.3198 39.4801 174.3436 625 Y 4.3685 8.8840 127.9539 56.3077 42.0853 175.1399 626 K 3.3983 8.8127 126.6649 57.5736 29.7400 175.6174 627 S 3.9086 8.1047 109.5143 58.8297 60.6820 170.6187 628 V 4.3610 7.7854 121.6652 60.7909 32.8020 174.6870 629 K 4.7037 8.7729 127.0987 56.2579 32.5680 176.2564 630 L 5.0539 8.9095 125.7835 51.9840 45.4780 174.2921 631 P 4.9074 0.0000 0.0000 62.6795 33.0160 175.0060 632 V 4.6387 9.3825 126.3179 61.2497 33.0255 174.2259 633 L 5.3862 8.6893 128.9221 53.1529 43.5239 176.8122 634 K 4.2981 9.1114 123.4592 56.2181 32.9063 178.1627 635 V 2.0000 8.3793 124.5374 65.7338 31.2330 178.1688 636 R 3.9731 7.5563 115.5848 57.8326 30.3218 177.5801 637 S 4.3116 7.9576 112.9055 59.7512 63.6089 173.2136 638 M 4.7049 7.1908 121.3601 53.1418 33.2846 175.5998 639 L 4.0932 8.6432 127.6020 54.8461 43.6587 175.4377 640 L 4.7552 8.6278 126.7271 53.5892 43.6076 175.5358 641 E 4.5843 9.0788 127.0424 55.2293 29.5617 175.1955 642 T 4.3964 8.1056 116.5906 58.6793 71.3446 174.2473 643 P 4.1532 0.0000 0.0000 65.2261 31.3925 177.4625 644 Q 4.3511 7.4863 116.2359 55.5161 28.9155 175.9174 645 G 3.8852 7.9264 106.0153 44.1731 0.0000 173.1428 646 R 4.7306 8.0012 117.6385 56.2093 30.9058 176.9354 647 I 4.5290 8.7915 116.2905 59.5752 41.4133 173.5542 648 Q 4.6725 8.6453 127.4183 54.1794 29.5495 174.8562 649 A 4.1068 8.3060 130.0256 52.0556 19.0698 177.2668 650 K 4.1809 8.2979 119.7665 56.9567 33.1656 177.0619 651 K 4.3681 7.2918 119.1161 54.6330 34.9437 176.1515 652 W 4.5386 8.7660 126.1161 59.4593 29.0515 177.1566 653 S 4.4462 7.9921 110.7163 59.3290 63.0920 174.8414 654 R 4.2770 8.0867 119.4536 56.4508 30.4429 177.2281 655 V 3.7709 7.3057 112.6033 60.8796 32.0851 174.9313 656 P 4.8943 0.0000 0.0000 62.3015 31.0371 175.8325 657 F 4.7570 7.7404 112.0375 56.5985 40.7457 172.9396 658 S 4.5202 8.8478 117.3986 57.0359 63.6368 174.2988 659 V 4.1639 8.2053 126.1045 60.4880 31.4982 173.5469 660 P 4.5189 0.0000 0.0000 62.9853 32.2955 175.4806 661 D 4.9316 8.5200 120.5277 54.2383 41.6817 175.9643 662 F 4.3063 8.9553 125.6407 58.2563 40.3639 174.5166 663 D 4.5335 7.8327 125.2958 51.6337 41.8656 175.3752 664 F 3.8147 8.5778 128.8496 61.1607 39.2728 176.2687 665 L 3.6651 7.9403 119.0321 58.3468 41.8743 178.7066 666 Q 3.8635 7.7678 117.9121 59.0124 28.7032 177.3084 667 H 3.9879 7.6308 118.6474 59.4158 30.3067 176.1954 668 C 3.9216 7.6673 120.0889 62.6120 31.0423 175.5155 669 A 3.9479 7.5692 120.6617 54.9855 17.9999 178.8907 670 E 4.2374 7.9254 115.5002 57.7012 30.0093 177.1490 671 N 4.9823 7.5706 114.3933 52.2201 40.3980 176.0218 672 L 3.9173 7.9964 122.4068 58.3409 42.0474 179.0943 673 S 4.1320 7.9453 112.2916 61.3825 63.0263 175.6091 674 D 4.5110 7.9426 121.4334 56.9056 40.9395 177.9386 675 L 4.2582 7.7987 117.4682 55.1685 42.1491 177.3971 676 S 4.2200 7.7757 115.1566 57.8095 62.8516 173.4845 677 L 4.1102 8.5585 128.2716 55.6500 42.1632 176.6476 678 D 4.7045 8.8289 121.9686 53.8966 40.8483 173.3904 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 544 R 8.25 4.22 0.00 1.77 1.98 0.00 3.33 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 545 Q 7.82 3.80 0.00 2.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.67 2.21 0.00 546 Q 8.80 4.65 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 547 F 8.20 5.06 0.00 2.92 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 0.00 548 P 0.00 4.41 0.00 1.86 1.92 0.00 3.61 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 1.77 2.03 0.00 549 V 8.67 3.61 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 0.71 0.00 0.00 0.68 0.00 0.00 550 E 8.05 4.04 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 551 H 8.48 4.63 0.00 3.28 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.41 4.32 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 0.93 0.00 0.00 0.73 0.00 0.00 553 Q 8.42 4.92 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.56 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 554 L 8.62 4.84 0.00 1.42 1.38 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 555 L 8.60 5.17 0.00 1.50 1.49 0.94 0.95 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 0.00 556 C 8.56 4.52 0.00 3.50 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 0.00 557 I 8.29 3.56 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.94 0.00 0.00 558 N 8.66 4.46 0.00 2.94 2.96 0.00 0.00 6.88 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 0.00 559 C 8.03 4.45 0.00 3.19 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 0.00 560 M 8.60 3.21 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 561 V 7.29 3.65 2.19 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 0.91 0.00 0.00 1.08 0.00 0.00 562 A 8.59 4.49 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 0.00 563 V 8.64 3.30 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 0.94 0.00 0.00 0.72 0.00 0.00 564 G 6.45 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 0.00 0.00 0.00 565 H 7.72 5.03 0.00 3.23 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 G 8.73 3.39 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 0.00 0.00 0.00 567 S 7.87 4.20 0.00 3.96 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 0.00 568 D 8.09 4.65 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 0.00 569 L 7.33 4.67 0.00 1.55 1.43 1.16 0.62 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 0.00 570 R 9.13 4.86 0.00 1.71 1.91 0.00 3.47 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 571 K 8.61 4.54 0.00 1.62 1.58 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.08 7.81 572 V 9.03 4.36 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 0.61 0.00 0.00 0.46 0.00 0.00 573 E 9.86 3.59 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 574 G 8.17 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 0.00 575 T 7.15 4.04 3.83 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 1.04 0.00 0.00 576 H 6.76 4.16 0.00 2.82 2.74 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 H 8.52 4.83 0.00 1.82 2.02 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 V 8.23 5.45 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 0.77 0.00 0.00 0.76 0.00 0.00 579 N 8.67 4.96 0.00 2.18 2.36 0.00 0.00 6.95 7.71 0.00 0.00 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 V 8.44 4.47 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 0.86 0.00 0.00 1.06 0.00 0.00 581 N 8.87 4.81 0.00 2.90 2.91 0.00 0.00 6.98 7.56 0.00 0.00 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 P 0.00 4.60 0.00 2.32 2.36 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 583 N 9.10 4.29 0.00 3.01 3.09 0.00 0.00 6.44 7.77 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 0.00 584 F 8.41 4.76 0.00 3.27 3.41 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 0.00 585 S 7.77 2.88 0.00 3.56 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 0.00 586 N 8.17 4.25 0.00 2.45 2.43 0.00 0.00 6.81 7.00 0.00 0.00 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 Y 8.05 4.80 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 0.00 588 Y 7.05 5.13 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 5.10 0.00 2.58 2.71 0.00 0.00 6.83 8.49 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 0.00 590 V 8.40 5.01 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 0.86 0.00 0.00 1.17 0.00 0.00 591 S 8.80 4.72 0.00 3.87 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 0.00 592 R 8.54 4.53 0.00 1.82 1.98 0.00 3.26 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 593 D 7.65 4.31 0.00 2.62 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 *604 W 7.58 5.07 0.00 3.33 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 0.00 605 K 9.55 4.52 0.00 1.89 1.76 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.50 7.81 606 P 0.00 4.52 0.00 2.00 2.02 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 607 G 8.92 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 0.00 0.00 0.00 608 G 7.50 4.12 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 0.00 609 V 8.64 4.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 610 I 8.66 4.83 1.82 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.32 0.48 0.00 0.00 611 S 8.42 4.47 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 C 8.23 3.32 0.00 2.54 2.79 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 0.00 613 R 8.52 3.87 0.00 1.71 1.92 0.00 3.08 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 614 N 8.42 4.47 0.00 2.75 2.93 0.00 0.00 6.72 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 0.00 615 C 7.72 4.67 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 0.00 616 G 8.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 E 7.73 4.02 0.00 2.17 1.93 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 2.63 2.55 0.00 618 V 8.42 4.10 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 0.85 0.00 0.00 0.88 0.00 0.00 619 W 10.76 4.94 0.00 3.29 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 0.00 620 G 7.03 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 L 7.84 5.10 0.00 1.51 1.59 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 622 Q 9.14 4.65 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 623 M 8.89 5.15 0.00 2.60 2.04 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 624 I 9.37 4.99 1.92 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 1.51 1.18 0.99 0.00 0.00 625 Y 8.88 4.37 0.00 1.43 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 K 8.81 3.40 0.00 1.13 0.86 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.56 0.21 7.81 627 S 8.10 3.91 0.00 4.06 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 0.00 628 V 7.79 4.36 2.41 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 1.18 0.00 0.00 1.34 0.00 0.00 629 K 8.77 4.70 0.00 1.79 1.88 0.00 1.82 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.55 7.81 630 L 8.91 5.05 0.00 1.71 1.56 0.37 0.63 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 0.00 631 P 0.00 4.91 0.00 2.44 2.32 0.00 3.91 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 632 V 9.38 4.64 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 0.78 0.00 0.00 0.65 0.00 0.00 633 L 8.69 5.39 0.00 1.90 1.87 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 634 K 9.11 4.30 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 635 V 8.38 2.00 1.65 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 0.02 0.00 0.00 0.33 0.00 0.00 636 R 7.56 3.97 0.00 1.77 1.90 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 637 S 7.96 4.31 0.00 4.27 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 0.00 638 M 7.19 4.70 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 639 L 8.64 4.09 0.00 1.74 1.49 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 640 L 8.63 4.76 0.00 1.77 1.62 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 641 E 9.08 4.58 0.00 1.97 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 0.00 2.17 2.19 0.00 642 T 8.11 4.40 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 1.11 0.00 0.00 643 P 0.00 4.15 0.00 2.15 2.19 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 644 Q 7.49 4.35 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 645 G 7.93 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 0.00 0.00 0.00 646 R 8.00 4.73 0.00 1.69 1.85 0.00 3.18 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 647 I 8.79 4.53 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.97 0.00 0.00 648 Q 8.65 4.67 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 649 A 8.31 4.11 1.05 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 0.00 650 K 8.30 4.18 0.00 1.68 1.79 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.35 7.81 651 K 7.29 4.37 0.00 1.68 1.54 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 652 W 8.77 4.54 0.00 3.16 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 0.00 653 S 7.99 4.45 0.00 3.98 4.02 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 0.00 654 R 8.09 4.28 0.00 1.83 1.96 0.00 3.30 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 655 V 7.31 3.77 1.58 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 0.75 0.00 0.00 0.65 0.00 0.00 656 P 0.00 4.89 0.00 2.85 2.40 0.00 3.91 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 2.44 2.26 0.00 657 F 7.74 4.76 0.00 3.14 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 0.00 658 S 8.85 4.52 0.00 3.96 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 0.00 659 V 8.21 4.16 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 0.82 0.00 0.00 0.90 0.00 0.00 660 P 0.00 4.52 0.00 2.17 2.20 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 661 D 8.52 4.93 0.00 2.60 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 F 8.96 4.31 0.00 2.94 3.05 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 0.00 663 D 7.83 4.53 0.00 2.63 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 0.00 664 F 8.58 3.81 0.00 3.24 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 L 7.94 3.67 0.00 1.74 1.72 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 666 Q 7.77 3.86 0.00 2.50 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 667 H 7.63 3.99 0.00 3.02 3.34 0.00 5.83 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 C 7.67 3.92 0.00 2.37 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 0.00 669 A 7.57 3.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 E 7.93 4.24 0.00 2.04 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 2.30 2.31 0.00 671 N 7.57 4.98 0.00 2.71 2.70 0.00 0.00 6.46 6.44 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 0.00 672 L 8.00 3.92 0.00 1.88 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 673 S 7.95 4.13 0.00 4.06 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 0.00 674 D 7.94 4.51 0.00 2.68 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 0.00 675 L 7.80 4.26 0.00 1.76 1.76 0.97 1.00 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 0.00 676 S 7.78 4.22 0.00 3.93 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 0.00 677 L 8.56 4.11 0.00 1.69 1.60 0.94 1.18 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 0.00 678 D 8.83 4.70 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.