NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 D 4.6288 8.2227 120.5402 54.4332 43.3079 177.1600 545 F 3.9160 8.2865 120.5042 61.0911 39.0930 172.2981 546 E 3.6470 9.5490 118.7811 58.4394 29.4483 178.2776 547 K 3.9132 7.8159 116.8443 59.7412 32.7694 178.3938 548 E 3.9285 7.8650 119.5900 59.0313 29.4764 179.1125 549 G 3.0478 7.7887 106.2381 47.4863 0.0000 175.7568 550 I 3.5902 7.6823 122.2511 64.0015 37.1272 178.3524 551 A 3.8879 7.9502 121.5013 55.3619 18.3110 179.7391 552 T 3.7326 7.8604 114.2080 66.8604 68.3381 177.0619 553 V 3.4125 7.4070 118.5757 65.9606 31.6038 177.5454 554 E 3.8874 8.0769 117.6255 59.2086 29.4821 179.4107 555 R 3.9964 7.9734 117.8744 58.9960 29.9488 180.4937 556 A 3.7241 7.4110 118.4016 52.6170 18.0556 178.9943 *558 E 4.1821 8.1729 120.9174 57.4499 31.6367 176.4793 559 N 4.4803 8.2214 117.5919 58.8418 39.6058 177.1009 560 N 4.1606 7.4640 110.7508 55.4687 36.6147 172.5435 561 H 4.8343 10.2528 121.6026 54.7873 30.2503 175.6279 562 D 4.6264 8.4566 121.5672 52.8282 40.3010 176.5007 563 L 4.3098 8.4307 119.7153 58.4331 42.5025 179.8373 564 D 4.4960 8.0008 117.9529 57.8632 40.8921 179.7530 565 T 3.9700 7.9402 114.6773 66.2349 68.3081 176.9352 566 A 4.0338 8.8559 123.5710 55.3287 18.5427 179.7831 567 L 4.0194 8.0177 116.9372 57.5222 41.6593 179.4524 568 L 3.9515 7.8981 120.4186 58.0452 42.0259 178.6478 569 E 3.8743 7.9759 118.8981 59.1849 29.5753 178.2379 570 L 3.9790 8.0963 120.5207 58.5938 41.9228 178.8427 571 N 4.3279 8.4192 115.1301 56.4908 38.4736 177.2917 572 T 4.0274 7.6661 116.7149 66.4587 68.5956 176.1384 573 L 4.1902 7.9982 121.5082 57.9694 42.4463 178.7334 574 R 3.5574 8.0360 115.7982 57.9796 29.7185 177.1168 *576 S 4.0581 7.6884 109.6917 58.5354 64.2045 173.4391 *578 N 4.4426 7.8017 116.3321 53.7802 39.0097 172.6973 579 V 4.3071 7.6752 119.2229 59.4127 35.1908 176.3221 580 T 4.3708 8.0240 111.4945 60.3089 72.0813 175.1179 581 Y 4.0683 8.4447 117.4647 60.9964 37.6672 178.3889 582 H 4.1707 8.5293 119.7929 59.3753 29.9627 177.0609 583 E 4.0459 8.2113 119.9154 59.3703 29.2407 179.4060 584 V 3.8922 7.6794 118.0555 66.1651 31.6439 178.2000 585 R 4.0210 8.4826 118.1991 59.3815 29.9014 179.0031 586 I 3.6699 7.9040 119.1934 64.3664 37.1928 178.2807 587 A 3.9783 8.2926 121.5331 55.5476 18.2219 179.8427 588 T 3.8376 8.3912 114.5695 66.8418 68.4924 177.0659 589 I 3.9727 8.3999 122.3760 64.7641 37.1923 178.7213 590 T 3.9420 8.2443 110.3934 64.4543 68.5956 176.5446 591 A 3.8930 7.9659 123.6397 54.9918 18.4814 179.4656 592 L 3.8352 7.9498 117.3946 58.1387 41.6874 179.9109 593 L 4.4092 8.3618 118.8279 57.8908 41.5137 180.0250 594 R 4.0151 8.1941 118.3385 59.2781 30.0822 178.9233 595 R 4.0725 7.9999 118.1016 59.3231 30.0208 178.7845 596 V 3.9314 8.3193 118.2145 66.1675 31.6392 177.2226 597 Y 4.2566 8.6889 119.4750 61.1564 38.6994 177.4362 598 H 4.1487 8.9376 119.3479 59.5796 29.9147 176.8997 599 F 4.0918 8.2795 119.2670 60.7216 38.6748 177.8959 600 I 4.0167 8.2335 120.2953 63.8895 36.8424 178.3210 601 A 3.8449 7.9594 120.7384 54.6769 18.1235 178.7028 602 T 4.2658 7.5170 105.5349 60.7395 69.2773 174.6320 603 Q 3.5339 7.9154 118.8946 57.6511 26.9371 175.0306 604 T 4.3016 7.9567 115.7347 65.5634 68.8011 175.3833 605 L 4.4834 7.4851 119.1932 52.2135 45.6795 174.9972 606 G 3.7826 8.4091 108.6839 44.0936 0.0000 171.8430 607 P 4.1708 0.0000 0.0000 65.9235 31.0292 178.4140 608 K 3.7339 7.9504 117.0533 60.1233 32.3062 178.5298 609 D 4.3004 8.1730 117.9821 57.4627 40.7306 178.7500 610 A 3.7408 8.3379 121.3340 55.0263 18.4327 179.8056 611 V 3.6259 7.8268 116.6647 66.2142 31.6558 178.2503 612 V 3.5524 7.9836 118.2807 65.9426 31.1023 177.6730 613 K 3.7957 8.1109 118.3813 59.5122 32.1404 178.6137 614 V 3.9269 7.8115 118.1753 66.1180 31.6882 178.1051 615 F 3.9494 9.0113 117.8397 60.6134 38.5692 177.3256 616 N 4.3815 8.1396 115.0612 56.2376 38.6582 176.1086 617 Q 3.8620 7.8880 117.5656 58.2362 29.6081 177.1849 618 W 4.4424 8.1219 117.2761 58.1954 29.2848 178.7519 619 G 3.2922 8.3145 106.3082 47.1418 0.0000 175.5272 620 L 4.0948 7.7098 120.5512 57.4178 41.6403 179.0460 621 L 4.0402 7.8652 119.5333 57.6767 41.3552 179.3630 622 F 4.6164 7.6841 118.2397 60.2975 38.6334 177.3928 623 K 4.4689 7.8717 118.5483 58.1845 32.2647 177.6027 624 R 4.6809 7.6467 118.4335 56.1598 30.6934 176.0336 625 Q 4.5663 7.9795 113.4878 55.1170 30.9381 175.3083 626 A 3.8929 6.4984 120.6024 50.5426 21.6621 176.0024 627 F 4.7775 8.5270 120.7697 56.9118 41.4448 175.1426 628 D 5.0635 7.6708 119.4367 50.2559 43.7995 175.4796 629 E 4.0727 8.9237 119.3932 59.9062 29.3358 178.6287 630 E 4.0348 8.2754 116.6697 59.5948 29.6087 178.7181 631 E 3.8863 8.6966 119.4020 59.2027 29.2915 178.7189 632 Y 4.0126 7.8130 116.4664 60.5657 37.7678 178.0427 633 I 3.9346 7.9102 120.5478 64.4025 37.4706 177.5392 634 D 4.5754 8.7908 119.3962 57.1434 41.1303 177.9369 635 L 3.8530 7.6033 117.3241 56.6407 41.8284 177.9176 *637 N 4.9711 7.9509 115.1842 53.5669 40.6743 175.8456 638 I 3.8768 8.0572 118.8506 64.7005 37.4334 178.8938 639 I 3.8306 7.5774 117.0722 62.6993 37.0542 177.5574 *641 E 4.5620 8.2907 121.7598 56.6034 31.2177 178.5142 642 K 4.1700 8.8653 118.5334 59.2426 32.0329 179.6586 643 I 4.0849 8.0290 120.5130 64.4606 36.8512 178.4972 644 V 3.7518 7.9616 117.3518 66.1095 31.5188 177.1396 645 E 4.0873 8.2158 117.9130 59.3533 29.5876 178.2949 646 Q 3.8038 8.4470 118.7146 56.0390 30.4690 175.4748 647 S 3.7234 7.4565 113.1294 59.3301 61.4841 171.5957 648 F 4.6825 8.0546 122.2230 57.6810 40.2532 176.0124 649 D 4.6232 8.8629 121.9737 56.3166 41.7164 177.2413 650 K 4.7694 7.6483 116.8901 55.4418 32.7623 175.2340 651 P 4.2718 0.0000 0.0000 66.4445 31.9215 177.7951 652 D 4.9941 8.2115 118.8312 56.0732 39.1557 178.3342 653 L 4.0744 8.4095 122.0940 57.7329 42.1027 178.9914 654 I 3.4860 7.5796 119.4024 64.2490 37.0764 178.0469 655 L 3.8535 7.9842 121.2028 57.8992 41.8862 178.7718 656 F 4.0502 8.2101 120.8059 61.2025 39.3079 177.4404 657 S 3.4212 7.9495 114.5759 61.1218 62.6726 176.4475 658 A 3.1778 7.4431 123.2905 54.9554 17.9397 179.7242 659 L 3.7490 7.2976 117.4139 57.7489 41.5678 179.9800 660 V 3.0186 6.7580 118.1754 65.5534 31.3001 177.9544 661 S 3.9858 7.7626 112.8625 61.4281 62.2233 176.1240 662 L 4.0546 7.7442 121.3776 58.0095 41.4821 178.8621 663 Y 4.3935 8.2473 120.9536 60.4710 38.5735 178.0661 664 D 4.4403 8.5808 118.8299 56.6917 40.9319 177.4271 665 N 4.6791 7.7191 114.6554 52.2433 38.7506 174.7407 666 D 4.3429 7.4680 118.4341 55.3879 38.9899 175.1928 667 I 4.0303 7.9247 122.9053 63.0690 37.1852 176.6311 668 I 4.4426 7.4714 112.4907 58.0576 40.5139 173.8348 669 E 4.6276 8.1278 120.0064 53.5397 33.8304 176.5296 670 E 3.2788 8.6632 117.6989 59.8633 29.1095 178.7655 671 D 4.4412 8.1139 119.6788 57.3253 40.9509 179.2567 672 V 3.6870 7.8040 117.4665 66.0090 31.4063 178.1503 673 I 3.9069 7.6674 119.6863 64.6013 36.6434 178.0082 674 Y 4.4908 7.9691 117.8878 61.0478 37.8566 178.5548 675 K 4.0867 8.2198 119.3800 59.3227 32.0242 178.8196 676 W 4.3211 8.5147 127.3551 60.5964 30.8007 177.3869 677 W 3.4466 8.8155 128.2415 60.4086 29.9031 177.6655 678 D 4.2664 8.7023 118.2140 56.3238 40.2489 177.4210 679 N 4.7075 7.3064 114.1654 51.7456 39.3177 175.4762 680 V 3.3066 5.8968 120.6523 60.9366 31.9318 176.1215 681 S 4.1052 8.0792 116.4583 58.8898 62.7316 173.9262 682 T 4.3600 8.1837 115.4558 61.0625 69.1673 173.9389 683 D 4.3634 8.0739 123.3165 54.4187 41.5829 175.4587 684 P 4.6642 0.0000 0.0000 64.6240 31.0630 178.3330 685 R 3.9321 8.4498 114.3470 58.2339 29.3395 177.2405 686 Y 4.8084 7.8489 116.6756 57.7714 38.4154 176.7975 687 D 4.4766 8.3475 122.6299 57.5321 41.0981 178.2533 688 E 3.9533 8.2058 118.9343 59.6139 29.9901 179.1628 689 V 3.8307 8.0302 111.6122 63.9207 31.5806 177.9206 690 K 4.5537 8.2210 117.0504 57.4481 31.0538 178.7940 691 K 3.9699 7.9261 119.3829 59.6925 32.1120 178.4571 692 L 3.7737 7.7981 119.3632 58.4871 42.2394 178.6289 693 T 4.1487 8.0641 112.6690 65.1075 67.2499 176.0862 694 V 2.6596 7.9819 121.4975 64.3925 31.4079 178.6289 695 K 3.9741 7.4858 116.3980 58.6491 31.7756 179.0420 696 W 4.3629 7.9541 128.4941 60.7064 30.6708 178.1190 697 V 3.0971 7.8433 118.1920 65.7222 30.8042 177.5596 698 E 3.8192 7.8436 118.5052 58.9947 29.4784 178.4987 699 W 4.4269 8.7036 128.7024 60.6654 30.5076 177.8173 700 L 3.4534 7.6766 117.9657 57.5813 41.2009 179.3758 701 Q 4.0544 7.8185 119.1850 58.5400 28.4802 178.3801 702 N 4.1957 7.6991 115.7161 56.2531 38.7349 176.7151 703 A 3.8237 7.1339 118.8180 52.8183 18.4943 177.3905 704 D 4.4639 7.6644 121.9433 54.3841 41.4749 175.4483 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 D 8.22 4.63 0.00 2.78 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 0.00 545 F 8.29 3.92 0.00 3.23 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 0.00 546 E 9.55 3.65 0.00 2.11 1.78 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 2.33 2.36 0.00 547 K 7.82 3.91 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 548 E 7.87 3.93 0.00 1.94 1.89 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 2.27 2.27 0.00 549 G 7.79 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 0.00 0.00 0.00 550 I 7.68 3.59 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.84 0.00 0.00 551 A 7.95 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 T 7.86 3.73 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 553 V 7.41 3.41 1.94 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 0.56 0.00 0.00 0.93 0.00 0.00 554 E 8.08 3.89 0.00 1.99 1.89 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 2.23 2.47 0.00 555 R 7.97 4.00 0.00 2.06 1.92 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 556 A 7.41 3.72 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 *558 E 8.17 4.18 0.00 2.16 2.01 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 2.15 2.26 0.00 559 N 8.22 4.48 0.00 2.67 2.65 0.00 0.00 7.49 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 0.00 560 N 7.46 4.16 0.00 2.88 3.20 0.00 0.00 7.28 7.89 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 0.00 561 H 10.25 4.83 0.00 3.41 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 D 8.46 4.63 0.00 2.78 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 0.00 563 L 8.43 4.31 0.00 1.73 1.76 0.28 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 564 D 8.00 4.50 0.00 2.71 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 0.00 565 T 7.94 3.97 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 1.15 0.00 0.00 566 A 8.86 4.03 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 0.00 0.00 0.00 0.00 0.00 567 L 8.02 4.02 0.00 1.79 1.83 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 568 L 7.90 3.95 0.00 1.98 1.84 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 569 E 7.98 3.87 0.00 2.06 1.94 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 2.31 2.32 0.00 570 L 8.10 3.98 0.00 1.93 1.73 0.96 0.88 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 0.00 571 N 8.42 4.33 0.00 2.90 2.91 0.00 0.00 7.14 7.57 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 0.00 572 T 7.67 4.03 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 573 L 8.00 4.19 0.00 1.99 1.97 0.87 1.05 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 0.00 574 R 8.04 3.56 0.00 1.74 1.90 0.00 2.25 0.00 0.00 2.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 *576 S 7.69 4.06 0.00 3.98 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 *578 N 7.80 4.44 0.00 2.69 2.75 0.00 0.00 6.88 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 0.00 579 V 7.68 4.31 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 0.68 0.00 0.00 580 T 8.02 4.37 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 1.20 0.00 0.00 581 Y 8.44 4.07 0.00 3.21 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 0.00 582 H 8.53 4.17 0.00 3.30 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 E 8.21 4.05 0.00 2.10 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 2.36 2.51 0.00 584 V 7.68 3.89 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 1.26 0.00 0.00 0.84 0.00 0.00 585 R 8.48 4.02 0.00 2.00 1.89 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 586 I 7.90 3.67 2.07 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 1.43 0.61 0.99 0.00 0.00 587 A 8.29 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 588 T 8.39 3.84 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 1.32 0.00 0.00 589 I 8.40 3.97 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 1.04 0.00 0.00 590 T 8.24 3.94 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 1.36 0.00 0.00 591 A 7.97 3.89 1.35 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 0.00 592 L 7.95 3.84 0.00 1.77 1.35 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 593 L 8.36 4.41 0.00 1.97 2.12 1.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 594 R 8.19 4.02 0.00 2.11 1.99 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 595 R 8.00 4.07 0.00 1.94 2.20 0.00 3.12 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 596 V 8.32 3.93 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 1.13 0.00 0.00 1.38 0.00 0.00 597 Y 8.69 4.26 0.00 3.09 3.18 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 0.00 598 H 8.94 4.15 0.00 3.31 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 F 8.28 4.09 0.00 3.49 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.57 1.69 7.81 676 W 8.51 4.32 0.00 3.32 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 0.00 677 W 8.82 3.45 0.00 3.66 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 678 D 8.70 4.27 0.00 2.81 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 0.00 679 N 7.31 4.71 0.00 2.64 2.74 0.00 0.00 7.03 6.96 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 0.00 680 V 5.90 3.31 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 0.00 0.00 -0.53 0.00 0.00 0.31 0.00 0.00 681 S 8.08 4.11 0.00 3.81 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 0.00 682 T 8.18 4.36 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 1.07 0.00 0.00 683 D 8.07 4.36 0.00 2.80 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 0.00 684 P 0.00 4.66 0.00 2.17 2.20 0.00 3.91 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 2.02 0.00 685 R 8.45 3.93 0.00 1.65 1.93 0.00 2.92 0.00 0.00 2.65 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 686 Y 7.85 4.81 0.00 3.13 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 0.00 687 D 8.35 4.48 0.00 2.79 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 0.00 688 E 8.21 3.95 0.00 2.09 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 2.44 2.45 0.00 689 V 8.03 3.83 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 1.12 0.00 0.00 1.29 0.00 0.00 690 K 8.22 4.55 0.00 2.08 2.30 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.85 1.80 7.81 691 K 7.93 3.97 0.00 1.97 1.92 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.82 7.81 692 L 7.80 3.77 0.00 1.66 1.57 0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 693 T 8.06 4.15 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 694 V 7.98 2.66 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.08 0.00 0.00 695 K 7.49 3.97 0.00 1.96 1.86 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 696 W 7.95 4.36 0.00 3.43 3.51 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 0.00 697 V 7.84 3.10 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 0.89 0.00 0.00 0.67 0.00 0.00 698 E 7.84 3.82 0.00 2.20 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 0.00 2.33 2.40 0.00 699 W 8.70 4.43 0.00 3.33 3.22 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 0.00 0.00 0.00 700 L 7.68 3.45 0.00 1.51 1.43 -0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 701 Q 7.82 4.05 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.73 2.42 0.00 702 N 7.70 4.20 0.00 2.75 2.85 0.00 0.00 7.11 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 703 A 7.13 3.82 0.35 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 0.00 704 D 7.66 4.46 0.00 2.93 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.