NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 4.0042 8.3549 109.7396 44.6763 0.0000 173.5380 -3 S 4.2685 7.8029 112.2096 58.5075 67.8069 173.7402 -2 H 3.9512 8.7433 117.8122 56.8937 26.5887 173.5598 -1 M 3.9251 7.8758 122.7553 58.4124 32.6922 176.2440 *513 V 3.9094 7.3066 115.3275 62.6858 32.3271 173.6792 514 L 4.8976 7.8442 121.6833 52.1522 45.1164 175.4017 515 P 4.6447 0.0000 0.0000 63.2823 31.2932 175.6752 516 S 4.6599 7.4948 111.6750 57.5910 65.6976 172.7814 517 E 4.3735 8.5957 121.4718 56.4618 32.0780 175.1518 518 A 4.2744 7.2637 118.3203 51.0035 21.2217 173.6771 519 P 4.4634 0.0000 0.0000 62.2548 32.4743 175.6909 520 N 4.5407 10.0995 113.4914 53.6487 36.7855 173.3999 521 A 4.6727 7.8995 121.7925 50.9777 22.2858 174.6955 522 K 4.6849 8.1070 118.1199 54.1417 36.3733 175.8481 523 E 4.2995 8.5060 117.9466 56.3753 30.2589 175.4524 524 E 4.9037 8.4191 116.6102 54.8192 33.1000 175.1986 525 I 4.7175 8.1304 120.0089 59.8988 40.8470 174.9292 526 L 4.2385 7.9807 121.8176 54.7571 44.6545 174.5648 527 G 3.6725 8.5923 105.8644 45.1030 0.0000 171.4657 528 T 4.5238 8.0219 115.4549 62.1740 69.3455 174.6649 529 V 4.2723 8.0409 119.5433 59.4751 34.9394 175.7121 530 S 5.1589 8.0505 113.2396 58.0536 63.6751 174.8691 531 W 4.8381 7.2644 123.2545 58.5260 30.7274 173.4815 532 N 4.8362 8.5511 119.7958 53.8184 44.6007 174.2998 533 L 4.8571 8.2583 114.8515 54.7409 49.8100 177.9819 534 R 3.9148 8.3696 117.2470 59.6924 30.0226 178.7998 535 E 3.6998 8.4596 117.9197 59.4754 29.3034 179.5899 536 M 4.2836 7.9756 118.1625 58.5313 32.3179 178.1756 537 L 3.9647 8.4116 119.2811 58.1134 41.8113 179.5553 538 A 4.1790 8.0013 121.3240 54.8994 18.5127 179.0959 539 H 3.9123 7.9965 116.2685 59.2714 30.0063 176.9424 540 A 3.9598 8.4010 123.1798 55.2244 17.6762 179.3766 541 E 3.7903 8.6017 115.9561 59.5496 29.4603 178.4772 542 E 3.9022 7.9486 119.9890 58.9448 29.7703 178.4315 543 T 4.1964 7.5126 105.3268 61.0895 69.6054 174.5163 544 R 3.7014 7.7289 119.6875 56.8004 28.5447 176.3738 545 K 4.2076 7.4769 115.8807 55.9992 33.0333 177.4409 546 L 4.0962 8.3387 126.9787 55.5551 43.5328 175.5074 547 M 5.6333 9.0909 126.7449 51.8827 32.6381 172.0509 548 P 5.4985 0.0000 0.0000 62.8509 32.9197 176.0318 549 I 4.8301 9.4631 122.3096 60.0732 41.6985 173.3155 550 C 4.0027 8.3007 125.5147 57.5693 33.3349 174.0500 551 M 3.9904 7.5324 122.5415 56.1717 31.4324 177.0045 552 D 4.3379 7.8406 119.7990 57.3165 42.0747 177.1874 553 V 3.9867 7.1236 119.6982 59.8108 30.1412 176.4035 554 R 3.8175 7.9729 125.8690 60.1053 30.0058 178.0840 555 A 3.9758 7.8248 119.2811 55.1919 18.7671 179.2339 556 I 3.8063 7.6245 117.7918 64.8614 37.2566 178.4139 557 M 4.1618 8.1894 120.5888 57.6618 31.5133 178.5179 558 A 4.0901 7.8583 119.7009 54.6438 18.6555 179.4850 559 T 4.0940 7.8937 114.8106 66.7593 68.7842 176.7677 560 I 3.9030 7.7173 121.0279 64.9208 36.7274 178.3059 561 Q 3.9710 8.2925 118.6248 59.0929 28.3826 179.2134 562 R 4.0059 7.8527 118.5715 58.9271 30.2531 177.9421 563 K 3.8931 8.0403 119.2089 58.9661 33.5782 177.8477 564 Y 4.5728 8.2751 118.4532 55.7356 35.1575 175.6038 565 K 4.2932 6.5636 118.5415 57.4970 33.9032 175.8389 566 G 4.3540 8.8266 107.4619 47.1024 0.0000 174.4159 567 I 3.3941 6.4542 118.0835 60.9009 38.4307 175.6173 568 K 4.4568 8.1730 125.3526 55.5737 32.3008 173.7564 569 I 3.3068 7.7975 122.5350 60.9945 37.0520 173.8126 570 Q 4.4109 8.1621 115.8728 55.5236 30.5083 173.6671 571 E 4.2589 8.8548 123.1175 56.1807 31.5381 177.2907 572 G 3.5984 8.4770 107.9548 45.5619 0.0000 173.6672 573 I 4.3723 8.3428 124.8219 61.4673 37.6221 176.7070 574 V 3.8165 8.5597 130.0078 61.5420 31.6470 173.8695 575 D 4.6141 8.4954 128.0380 53.2557 40.0814 174.2645 576 Y 4.3871 8.9402 124.4133 55.8083 39.9652 174.2148 577 G 4.4662 8.7462 115.4284 44.5489 0.0000 171.2521 578 V 4.1609 6.7824 116.6740 60.3407 34.8718 173.9664 579 R 4.3412 7.9424 123.3904 55.5339 30.6186 175.3626 580 F 5.8468 9.0949 125.9599 55.3271 42.4510 175.1275 581 F 5.2583 8.9744 120.7868 57.1117 41.9299 173.0015 582 F 5.6861 9.3891 126.0255 55.8728 40.4753 174.8148 583 Y 4.9382 7.3594 118.6988 56.7093 41.8528 173.4723 584 T 4.4879 8.7430 109.9841 59.9404 68.3601 175.5215 585 S 4.5789 8.5765 122.5246 60.7383 62.6314 175.5652 586 K 4.0593 8.0817 118.8441 59.0000 31.9992 177.1494 587 E 4.2945 8.3073 116.6792 54.8903 30.4818 174.7142 588 P 4.6518 0.0000 0.0000 62.1299 32.7397 177.5274 589 V 3.4846 8.3071 117.8808 65.6947 31.2257 177.7523 590 A 4.0020 8.1340 120.3264 55.6121 18.1132 179.7358 591 S 4.1023 7.8508 113.4329 61.5050 62.7709 176.9595 592 I 3.8172 7.6169 115.5181 63.8846 37.6694 178.2171 593 I 3.6323 7.7324 121.5778 64.1441 36.6182 178.2230 594 T 3.8349 7.9193 116.2949 66.6608 68.5692 176.0538 595 K 4.1009 7.8283 120.7750 59.5575 32.3202 178.5306 596 L 3.6181 7.9569 119.7137 57.9599 41.4302 179.4692 597 N 4.3376 8.0298 116.3839 55.9208 36.9700 177.1410 598 S 4.1329 7.6984 114.1791 60.7727 62.4178 175.7062 599 L 4.0403 7.7490 122.0381 55.6715 41.1770 178.4352 600 N 4.4542 7.7202 113.5398 53.2426 37.2084 174.2909 601 E 4.2641 7.2403 117.8081 54.5615 30.5614 174.4856 602 P 4.4955 0.0000 0.0000 63.3263 32.3911 175.7755 603 L 4.8121 8.9105 125.7164 53.5114 44.3891 176.3799 604 V 4.6075 8.5477 119.7001 60.9908 34.7700 174.3750 605 T 4.7932 8.4253 119.4067 62.0995 71.9376 171.1950 606 M 5.2778 8.5230 122.2474 52.0602 34.9984 175.6499 607 P 4.4801 0.0000 0.0000 63.2698 32.1004 179.5282 608 I 3.0878 8.0449 118.2563 63.1440 37.1751 176.7764 609 G 3.6101 8.5256 113.5466 46.0700 0.0000 172.0975 610 Y 4.7698 8.1546 123.0949 59.0965 41.4067 177.2269 611 V 3.9432 7.6244 115.3116 64.3513 34.1769 176.6656 612 T 4.0863 8.1018 111.6151 64.2595 67.1308 173.4108 613 H 4.7058 7.6262 114.7794 55.2140 30.4478 173.1779 614 G 3.9511 8.3652 107.3056 46.6490 0.0000 174.8788 615 F 4.7207 7.8621 119.3073 56.6926 40.6617 174.6327 616 N 5.0808 8.3031 117.6513 51.2342 42.6465 175.2875 617 L 4.2938 8.7279 121.9738 58.8421 42.0466 178.3887 618 E 2.9544 8.0336 117.6164 59.4376 29.3008 179.1121 619 E 3.7644 8.0246 117.4306 59.2410 29.3960 179.1562 620 A 4.4527 8.7563 122.0193 54.7012 18.5142 179.2176 621 A 3.7010 8.3211 119.4057 55.4260 18.1349 179.7845 622 R 3.7740 7.8290 115.1736 59.7462 29.9921 178.4107 623 C 4.2674 8.3247 118.3213 62.9998 31.4945 175.5740 624 M 4.1987 8.4354 120.2955 58.1941 31.3902 178.8778 625 R 3.9489 8.0861 117.7109 58.9344 30.2738 178.2971 626 S 4.2769 7.5313 110.3740 58.4849 62.6204 173.6985 627 L 4.1135 7.6595 124.2600 55.7924 42.2683 176.3764 628 K 4.4519 8.6700 123.4994 55.9015 32.5654 175.3141 629 A 4.8204 7.4411 120.7767 49.1889 22.2528 174.6375 630 P 4.5701 0.0000 0.0000 63.0090 32.8145 175.8514 631 A 4.8119 8.0111 121.3951 50.9672 21.9702 176.5692 632 V 3.8184 8.4452 123.4709 62.9674 33.0012 175.0548 633 V 4.9067 8.2752 125.0707 60.2670 34.5947 174.1595 634 S 5.1830 8.0277 118.4243 56.1762 66.1423 172.7090 635 V 4.5689 7.9718 116.9901 59.3148 35.2545 175.9400 636 S 4.4143 8.8320 115.4577 59.6644 63.2227 174.9080 637 S 4.7594 7.5723 116.4921 55.3549 67.1132 172.9451 638 P 4.2497 0.0000 0.0000 66.0744 31.1843 178.2740 639 D 4.3335 8.1893 117.0524 56.8990 40.9790 177.7644 640 A 4.2311 7.7090 121.8619 53.7576 18.6757 179.5269 641 V 3.4430 7.4921 116.6130 66.3952 31.4532 178.5172 642 T 3.8190 7.7405 114.8690 66.8686 67.9580 176.5070 643 T 3.4982 7.5066 117.4342 66.7269 68.5143 175.9098 644 Y 4.0441 8.1902 121.3460 60.8869 38.6515 177.7318 645 N 4.5028 8.2301 116.1108 56.3260 38.9238 177.2518 646 G 3.6636 7.9199 106.9124 48.0636 0.0000 175.2514 647 Y 4.3386 7.5943 119.5233 60.8648 37.6836 178.8922 648 L 4.0622 7.8557 118.2540 57.4793 41.7147 179.0000 649 T 4.2011 7.6513 114.8399 65.4090 68.7110 176.4200 650 S 4.5385 7.8627 115.4263 59.9819 63.5941 173.9293 651 S 4.1146 8.1279 120.1525 58.6027 62.4365 173.3437 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 -4 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 -3 S 7.80 4.27 0.00 3.94 3.80 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 -2 H 8.74 3.95 0.00 3.23 3.37 0.00 5.72 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 7.88 3.93 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 *513 V 7.31 3.91 2.18 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 0.88 0.00 0.00 0.98 0.00 0.00 514 L 7.84 4.90 0.00 1.74 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 515 P 0.00 4.64 0.00 2.16 2.12 0.00 3.75 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 1.93 0.00 516 S 7.49 4.66 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 E 8.60 4.37 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 2.17 2.28 0.00 518 A 7.26 4.27 1.21 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 0.00 0.00 519 P 0.00 4.46 0.00 2.19 2.11 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 520 N 10.10 4.54 0.00 2.92 3.27 0.00 0.00 5.65 7.25 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 0.00 521 A 7.90 4.67 1.21 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 0.00 0.00 522 K 8.11 4.68 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.40 7.81 523 E 8.51 4.30 0.00 2.09 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 2.31 2.30 0.00 524 E 8.42 4.90 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 525 I 8.13 4.72 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.99 0.00 0.00 526 L 7.98 4.24 0.00 1.52 1.50 0.93 1.06 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 0.00 527 G 8.59 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 0.00 0.00 0.00 528 T 8.02 4.52 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 0.76 0.00 0.00 529 V 8.04 4.27 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 0.37 0.00 0.00 -0.77 0.00 0.00 530 S 8.05 5.16 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 W 7.26 4.84 0.00 3.36 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 0.00 532 N 8.55 4.84 0.00 2.82 2.72 0.00 0.00 5.76 8.21 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 0.00 533 L 8.26 4.86 0.00 1.75 1.74 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 534 R 8.37 3.91 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 535 E 8.46 3.70 0.00 2.13 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 2.02 1.99 0.00 536 M 7.98 4.28 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.95 0.00 537 L 8.41 3.96 0.00 2.09 1.89 1.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 538 A 8.00 4.18 1.27 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 0.00 0.00 539 H 8.00 3.91 0.00 2.83 3.40 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 A 8.40 3.96 1.34 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 0.00 0.00 541 E 8.60 3.79 0.00 2.17 2.37 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 2.51 2.31 0.00 542 E 7.95 3.90 0.00 1.98 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 0.00 2.29 2.32 0.00 543 T 7.51 4.20 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 1.12 0.00 0.00 544 R 7.73 3.70 0.00 1.85 1.94 0.00 3.38 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 545 K 7.48 4.21 0.00 1.64 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.36 7.81 546 L 8.34 4.10 0.00 1.70 1.48 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 547 M 9.09 5.63 0.00 1.69 1.74 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.64 0.00 548 P 0.00 5.50 0.00 2.53 2.35 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 549 I 9.46 4.83 1.84 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.58 0.00 0.00 550 C 8.30 4.00 0.00 2.94 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 0.00 551 M 7.53 3.99 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 552 D 7.84 4.34 0.00 2.61 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 0.00 553 V 7.12 3.99 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 0.58 0.00 0.00 0.96 0.00 0.00 554 R 7.97 3.82 0.00 1.78 1.98 0.00 3.21 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 555 A 7.82 3.98 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 0.00 556 I 7.62 3.81 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 0.88 0.00 0.00 557 M 8.19 4.16 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.16 0.00 558 A 7.86 4.09 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 0.00 559 T 7.89 4.09 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 1.26 0.00 0.00 560 I 7.72 3.90 1.76 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 1.79 0.79 0.49 0.00 0.00 561 Q 8.29 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 562 R 7.85 4.01 0.00 1.78 2.21 0.00 3.38 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 563 K 8.04 3.89 0.00 1.89 1.56 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.84 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.24 1.40 7.81 564 Y 8.28 4.57 0.00 3.15 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 0.00 565 K 6.56 4.29 0.00 1.88 1.84 0.00 1.17 0.00 0.00 2.41 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 566 G 8.83 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 0.00 567 I 6.45 3.39 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.11 0.70 0.00 0.00 568 K 8.17 4.46 0.00 1.67 1.65 0.00 1.99 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.37 7.81 569 I 7.80 3.31 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.91 0.00 0.00 570 Q 8.16 4.41 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 571 E 8.85 4.26 0.00 1.95 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 2.26 2.30 0.00 572 G 8.48 3.60 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 0.00 573 I 8.34 4.37 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.96 0.00 0.00 574 V 8.56 3.82 1.48 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 0.57 0.00 0.00 0.18 0.00 0.00 575 D 8.50 4.61 0.00 2.70 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 0.00 576 Y 8.94 4.39 0.00 2.99 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 0.00 577 G 8.75 4.47 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 0.00 0.00 0.00 578 V 6.78 4.16 1.32 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 0.38 0.00 0.00 0.99 0.00 0.00 579 R 7.94 4.34 0.00 1.89 1.72 0.00 3.23 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 580 F 9.09 5.85 0.00 2.64 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 0.00 581 F 8.97 5.26 0.00 3.14 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 0.00 582 F 9.39 5.69 0.00 2.91 2.63 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 0.00 583 Y 7.36 4.94 0.00 3.17 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 0.00 584 T 8.74 4.49 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 1.25 0.00 0.00 585 S 8.58 4.58 0.00 3.84 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 0.00 586 K 8.08 4.06 0.00 1.79 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 587 E 8.31 4.29 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 2.28 0.00 588 P 0.00 4.65 0.00 2.31 2.29 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 589 V 8.31 3.48 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 0.98 0.00 0.00 0.22 0.00 0.00 590 A 8.13 4.00 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 0.00 591 S 7.85 4.10 0.00 4.04 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 0.00 592 I 7.62 3.82 1.39 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.82 0.00 0.00 593 I 7.73 3.63 2.09 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 1.50 1.09 0.91 0.00 0.00 594 T 7.92 3.83 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 1.22 0.00 0.00 595 K 7.83 4.10 0.00 1.88 2.08 0.00 1.79 0.00 0.00 1.99 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.59 7.81 596 L 7.96 3.62 0.00 1.72 1.53 0.80 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 597 N 8.03 4.34 0.00 3.00 3.12 0.00 0.00 6.81 7.44 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 0.00 598 S 7.70 4.13 0.00 4.07 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 0.00 599 L 7.75 4.04 0.00 1.75 1.62 0.51 0.71 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 0.00 600 N 7.72 4.45 0.00 2.83 3.00 0.00 0.00 7.32 7.80 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 0.00 601 E 7.24 4.26 0.00 1.80 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 2.32 2.21 0.00 602 P 0.00 4.50 0.00 2.12 2.22 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 603 L 8.91 4.81 0.00 1.59 1.61 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 604 V 8.55 4.61 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 0.76 0.00 0.00 1.22 0.00 0.00 605 T 8.43 4.79 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 1.24 0.00 0.00 606 M 8.52 5.28 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 607 P 0.00 4.48 0.00 2.28 2.26 0.00 3.83 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 1.78 1.59 0.00 608 I 8.04 3.09 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.99 0.00 0.00 609 G 8.53 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 0.00 610 Y 8.15 4.77 0.00 3.05 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 0.00 611 V 7.62 3.94 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 0.96 0.00 0.00 0.14 0.00 0.00 612 T 8.10 4.09 4.26 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 1.28 0.00 0.00 613 H 7.63 4.71 0.00 2.61 2.77 0.00 6.09 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 0.00 614 G 8.37 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 F 7.86 4.72 0.00 3.06 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 0.00 616 N 8.30 5.08 0.00 2.67 2.75 0.00 0.00 6.41 6.70 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 0.00 617 L 8.73 4.29 0.00 2.08 2.01 1.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 618 E 8.03 2.95 0.00 1.77 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.16 0.00 619 E 8.02 3.76 0.00 1.76 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 2.16 2.20 0.00 620 A 8.76 4.45 1.75 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 0.00 0.00 621 A 8.32 3.70 0.85 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 0.00 0.00 622 R 7.83 3.77 0.00 1.88 1.95 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 623 C 8.32 4.27 0.00 3.35 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 0.00 624 M 8.44 4.20 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.80 0.00 625 R 8.09 3.95 0.00 1.75 1.99 0.00 3.10 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 626 S 7.53 4.28 0.00 3.90 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 0.00 627 L 7.66 4.11 0.00 1.62 1.69 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 628 K 8.67 4.45 0.00 1.74 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.33 7.81 629 A 7.44 4.82 1.21 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 0.00 0.00 630 P 0.00 4.57 0.00 2.08 1.97 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 631 A 8.01 4.81 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 0.00 632 V 8.45 3.82 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 0.40 0.00 0.00 0.81 0.00 0.00 633 V 8.28 4.91 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 0.63 0.00 0.00 0.92 0.00 0.00 634 S 8.03 5.18 0.00 3.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.57 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 0.46 0.00 0.00 0.78 0.00 0.00 636 S 8.83 4.41 0.00 4.02 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 0.00 637 S 7.57 4.76 0.00 4.02 3.97 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 0.00 638 P 0.00 4.25 0.00 2.28 2.35 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 639 D 8.19 4.33 0.00 2.81 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 0.00 640 A 7.71 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 641 V 7.49 3.44 2.18 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 0.92 0.00 0.00 0.91 0.00 0.00 642 T 7.74 3.82 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 1.17 0.00 0.00 643 T 7.51 3.50 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 0.80 0.00 0.00 644 Y 8.19 4.04 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 645 N 8.23 4.50 0.00 3.02 2.87 0.00 0.00 7.36 7.24 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 0.00 646 G 7.92 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 0.00 0.00 0.00 647 Y 7.59 4.34 0.00 2.96 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 0.00 648 L 7.86 4.06 0.00 1.78 1.74 1.08 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 649 T 7.65 4.20 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 650 S 7.86 4.54 0.00 3.90 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 0.00 651 S 8.13 4.11 0.00 3.77 3.63 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 * Residues marked with a * may have inaccurate shift predictions.