NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 500 A 4.3001 8.2649 123.5811 51.5528 19.8298 176.8313 501 E 3.9909 8.7364 122.9005 54.9653 28.8904 174.5598 502 T 4.6237 8.1811 110.2053 60.6384 72.8410 172.5072 503 H 4.1029 8.6495 118.3326 57.2804 28.4554 174.3743 504 G 4.2227 7.2068 107.4070 43.8283 0.0000 173.3044 505 T 4.2796 8.3566 113.5162 63.7915 70.5649 174.4608 506 R 4.3711 7.3621 121.9229 53.5388 30.8764 174.2328 507 P 4.2427 0.0000 0.0000 65.2434 31.4630 177.0715 508 D 4.6925 7.8129 114.7434 52.6510 39.7136 176.0450 509 L 4.0621 7.6099 122.9321 55.5046 42.6245 176.0267 510 T 4.8117 8.1452 115.2065 60.0080 71.5675 173.7111 511 D 5.2552 8.4808 116.6347 51.8622 39.9505 175.3709 512 Q 4.6872 7.2866 115.5109 53.3772 31.9902 173.7196 513 P 4.3845 0.0000 0.0000 62.8345 31.9961 176.0444 514 I 4.1496 9.0370 117.1243 59.2180 38.6392 175.2185 515 P 4.2268 0.0000 0.0000 65.0596 31.3043 176.6308 516 D 4.7926 7.7520 115.2710 52.7018 39.7872 176.1661 517 A 3.9913 7.3415 122.9724 53.1189 18.9699 178.4848 518 D 4.3407 8.4159 122.8976 56.9151 41.3360 176.6738 519 Y 4.9207 7.3189 114.7741 56.2493 41.7051 174.9972 520 T 4.9211 8.6541 119.0352 61.8746 71.0150 173.1996 521 W 5.5117 9.1521 126.3462 55.0333 33.5406 174.3143 522 Y 5.4195 9.3971 119.2050 56.5413 40.8907 174.9987 523 T 5.3683 9.0244 113.4484 60.3934 72.1829 172.7755 524 D 4.9466 9.0347 121.0835 53.1980 45.3203 173.9366 525 G 4.5469 9.2451 111.5630 44.4605 0.0000 171.9904 526 S 5.0740 9.2562 120.1255 56.5408 65.0965 172.7479 527 S 5.0937 8.6266 120.5734 56.8288 65.4236 172.4986 528 F 4.9710 8.4129 120.5543 56.0768 41.7298 172.5069 529 L 5.0981 8.5817 119.1906 53.4779 43.3079 176.4259 530 Q 4.5020 9.1918 123.8208 56.1209 32.2203 174.3220 531 E 3.6111 10.2401 123.9026 57.2985 27.3325 175.7207 532 G 4.0536 8.7506 107.5845 44.7979 0.0000 174.0938 533 Q 4.7608 7.7783 117.7822 53.6897 32.6968 174.8876 534 R 4.4849 8.3642 121.9100 56.3250 31.3659 175.4335 535 R 4.8595 8.9023 124.6127 54.4960 34.0453 174.4082 536 A 4.9616 7.9805 120.8181 51.1367 23.0883 175.1608 537 G 4.5579 9.2579 105.7411 44.9795 0.0000 171.4485 538 A 5.5006 8.9113 120.3578 50.4667 23.1274 175.1453 539 A 5.2479 9.1483 120.4306 50.7489 23.6245 175.4473 540 V 5.0578 9.3231 119.9235 61.4181 34.6836 174.7773 541 T 5.0962 9.2577 117.3332 60.6284 73.2271 172.8431 542 T 4.9666 8.5111 112.7725 60.0116 71.6862 174.9989 543 E 3.8041 9.1632 119.8686 59.4375 29.4086 178.9254 544 T 4.6546 7.5805 103.9865 60.3674 70.4783 173.5365 545 E 4.6072 8.4319 122.3018 54.3739 32.3174 174.9410 546 V 4.1949 8.1121 122.3619 62.0588 31.5645 175.6095 547 I 3.9205 8.2713 130.3451 63.8589 37.8031 176.8120 548 W 4.9847 7.8458 129.2608 56.3263 34.0567 173.2716 549 A 4.5534 7.5693 127.2853 50.6813 21.7566 175.5834 550 R 4.3638 7.9402 120.0860 53.8836 34.8080 174.8578 551 A 4.4860 8.5105 123.9408 52.1349 19.2632 176.5516 552 L 4.8170 8.3951 120.0783 51.8045 45.4056 174.9388 553 P 4.2872 0.0000 0.0000 62.2029 31.8910 176.2795 554 A 4.2005 8.2993 124.0102 54.1551 18.6115 178.3368 555 G 3.9374 9.0246 110.5228 45.3658 0.0000 174.1534 556 T 3.9632 7.2736 117.1234 63.2333 68.8659 175.3390 557 S 4.3913 8.4757 121.3944 57.5645 65.3923 175.0231 558 A 3.9790 8.4065 124.1433 55.5039 18.1146 179.9404 559 Q 3.9535 7.9594 115.9562 59.2096 28.7333 179.0794 560 R 3.9731 8.1319 119.3540 59.3820 30.1059 178.3304 561 A 4.0747 8.3035 120.7816 55.3033 18.3418 179.4991 562 E 4.0411 8.6534 117.3774 59.4166 29.4392 179.5388 563 L 4.0291 8.1282 119.0892 57.9621 41.7594 179.5528 564 I 3.7061 8.0549 119.5165 64.3531 37.0795 178.4060 565 A 4.1365 8.3389 121.6017 55.1498 18.3005 179.4424 566 L 3.9501 8.0104 118.9167 58.5832 41.6919 179.2159 567 T 3.8058 8.1733 115.9872 66.7409 68.3483 176.3214 568 Q 3.5985 7.9449 121.1340 58.7990 28.8019 178.0720 569 A 4.1320 7.8588 121.7568 55.2524 18.2558 179.6083 570 L 3.9626 7.6555 116.1533 57.8440 42.1224 179.5732 571 K 4.1104 8.1235 118.3765 59.9070 31.8492 179.3322 572 M 4.3082 8.2205 116.7791 57.2371 32.0722 177.5095 573 A 4.7749 7.6789 120.2332 50.6387 19.3453 175.9973 574 E 4.0265 7.4975 120.5773 58.9855 29.8806 177.7384 575 G 3.9330 9.0942 114.0043 45.4509 0.0000 172.5177 576 K 4.5701 7.9148 118.3327 54.2053 36.7644 174.8945 577 K 4.7098 8.8384 121.1498 55.0527 33.8036 175.7882 578 L 4.9071 8.6026 126.9500 53.1561 45.3201 174.5430 579 N 5.1956 8.9218 124.3249 51.5887 40.6405 174.2700 580 V 4.8764 8.4780 123.5343 60.0379 34.7606 174.0028 581 Y 5.1729 9.0125 122.5539 56.5794 40.2586 174.6480 582 T 5.1163 9.1041 118.4252 60.3539 70.9929 173.7478 583 D 5.3432 8.8912 124.8174 52.7495 40.3641 176.5687 584 S 4.5647 8.1953 116.3995 57.7512 63.0388 174.6024 585 R 4.0135 8.7191 129.4263 59.3305 29.8123 178.3873 586 Y 4.1235 8.1296 118.7506 60.7409 38.9804 177.7699 587 A 3.8563 8.4046 121.8033 54.9317 18.5163 179.1984 588 F 4.0047 8.4531 118.9759 61.6261 39.4126 177.3059 589 A 4.1426 8.5455 120.5229 55.4741 17.9410 179.6846 590 T 3.6162 7.7711 113.4330 66.6873 68.5130 176.4237 591 A 3.9619 7.7914 121.7450 54.9765 18.3818 178.7433 592 H 4.3121 8.1237 114.0831 55.6706 29.0990 175.1384 593 V 4.6946 7.3466 120.6950 60.9857 33.6865 174.9958 594 H 4.4319 9.4650 129.1236 56.0580 30.8295 174.2574 *606 S 4.8667 8.4081 119.0622 58.7833 63.5346 173.3447 607 E 4.2154 8.8435 119.7896 57.3651 30.3670 176.8438 608 G 3.9578 7.6483 106.8971 43.5780 0.0000 172.9238 609 R 3.9454 8.1846 119.3758 56.0408 30.4861 175.7238 610 E 4.2232 8.6688 124.8307 56.1503 29.6014 176.7862 611 I 4.1710 8.3665 117.9716 61.5091 38.6729 175.9879 612 K 4.5952 7.3390 118.8150 56.1698 35.4089 175.1725 613 N 4.5819 9.2256 115.9141 53.3127 36.5121 176.8271 614 K 3.9794 8.2129 119.8739 60.3118 32.5638 177.7729 615 N 4.3527 8.1078 117.1554 56.1810 38.3581 177.1470 616 E 4.0582 8.1489 119.4675 59.1882 29.5435 179.2956 617 I 3.7366 8.1236 120.2817 64.4306 37.2334 178.4017 618 L 3.9753 8.0194 119.5519 57.8003 41.4351 179.5283 619 A 4.0133 8.0490 120.7403 54.9206 18.2878 179.4769 620 L 3.9522 7.9372 120.1948 57.7971 41.9821 179.2146 621 L 3.9749 7.9765 118.0060 57.6657 41.8558 179.3482 622 K 4.2534 8.2931 118.2323 59.5871 32.0656 179.3406 623 A 4.0907 8.1486 120.7422 54.7965 17.9788 179.3357 624 L 3.7422 7.5625 117.1837 57.8371 41.6843 178.7961 625 F 4.4891 7.6642 114.1212 57.8326 39.3201 177.4380 626 L 4.1732 7.9179 120.4921 56.3622 41.7813 175.6654 627 P 4.7142 0.0000 0.0000 62.2185 32.0649 176.2661 628 K 4.1477 8.6688 123.8032 59.3648 32.5421 177.2388 629 R 4.7623 7.6604 116.7051 54.5792 34.9997 173.9423 630 L 4.8984 8.1181 122.2702 53.8682 45.9347 174.0966 631 S 4.8086 9.0446 120.5156 56.4476 65.7788 172.3945 632 I 4.7537 8.4194 127.4905 59.6976 39.4618 174.4924 633 I 4.8349 8.6308 128.5050 59.5631 40.2605 174.5573 634 H 5.2368 8.9948 126.3893 55.8778 30.8206 173.9365 635 C 5.1897 8.7286 119.4946 55.4059 33.0827 171.9270 636 P 4.5725 0.0000 0.0000 62.8508 31.6247 176.2202 637 G 3.9243 8.4134 109.1704 45.1490 0.0000 172.2192 638 H 3.9701 8.5039 115.7380 57.0336 28.0721 174.6897 639 Q 4.3591 7.8451 115.6377 55.3150 29.8794 176.6397 640 K 4.1715 8.3642 119.0218 57.2127 33.0109 177.3267 641 G 3.8698 7.8378 107.5214 45.3813 0.0000 172.8752 642 N 4.8800 8.3321 114.4742 52.2439 37.6214 175.4330 643 S 4.3077 7.7598 113.9828 58.3603 64.9822 174.5587 644 A 4.5373 8.3270 125.4957 55.0695 18.1606 179.9762 645 E 3.7312 8.0500 116.2503 59.1974 29.5678 179.2921 646 A 3.8978 7.7869 120.6349 55.3026 18.4298 179.9866 647 R 3.8723 8.0909 116.9124 59.0876 30.1029 179.6355 648 G 2.0856 7.6501 105.7891 47.3060 0.0000 175.3381 649 N 4.3881 7.6758 120.0348 56.1657 38.8672 176.8791 650 R 3.8394 7.9054 120.1899 59.5546 30.1538 178.1620 651 M 3.9412 8.1644 117.9196 58.5869 32.2056 178.1049 652 A 4.0309 8.1134 120.9305 55.1127 18.6021 179.0754 653 D 4.9736 8.1807 117.9311 57.2413 41.2642 178.5470 654 Q 3.9816 8.3493 118.4703 58.9230 28.7217 178.6826 655 A 3.9569 8.2294 121.6521 54.9816 18.4297 179.6197 656 A 3.9200 8.2130 119.4503 55.2774 18.4058 179.9150 657 R 3.9735 8.1249 117.3294 59.4021 30.0730 178.2714 658 E 3.8634 8.5851 119.3882 59.2553 29.5441 178.6334 659 A 3.8972 8.0843 120.4996 55.1070 18.5154 179.5037 660 A 3.9662 8.0272 119.1712 55.5415 18.5198 179.8341 661 M 4.1579 8.5112 117.5342 58.6470 31.5564 179.1310 662 K 4.0814 8.3770 118.6410 59.4230 32.0258 179.3274 663 A 4.0126 7.8743 120.8928 55.0684 18.1011 179.8413 664 V 3.5670 7.5434 115.5525 66.0266 31.7623 177.6789 665 L 4.1748 7.8609 115.9855 55.2933 41.8351 177.6978 666 E 4.0404 8.0192 117.9908 55.6470 28.5222 174.5105 667 T 3.7292 7.0995 116.9292 62.9379 69.0372 171.8652 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 500 A 8.26 4.30 1.26 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 0.00 0.00 501 E 8.74 3.99 0.00 2.04 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 2.32 2.36 0.00 502 T 8.18 4.62 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 1.22 0.00 0.00 503 H 8.65 4.10 0.00 3.32 3.36 0.00 5.65 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 0.00 504 G 7.21 4.22 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 0.00 0.00 0.00 505 T 8.36 4.28 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 1.32 0.00 0.00 506 R 7.36 4.37 0.00 0.83 1.39 0.00 2.80 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 507 P 0.00 4.24 0.00 2.09 2.11 0.00 3.84 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 508 D 7.81 4.69 0.00 2.74 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 0.00 509 L 7.61 4.06 0.00 1.45 1.56 0.71 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 510 T 8.15 4.81 4.22 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 1.17 0.00 0.00 511 D 8.48 5.26 0.00 3.02 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 0.00 512 Q 7.29 4.69 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 513 P 0.00 4.38 0.00 2.07 2.05 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 514 I 9.04 4.15 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 0.85 0.00 0.00 515 P 0.00 4.23 0.00 2.04 2.16 0.00 3.63 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 2.01 2.07 0.00 516 D 7.75 4.79 0.00 2.71 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 0.00 517 A 7.34 3.99 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 0.00 518 D 8.42 4.34 0.00 1.65 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 0.00 0.00 0.00 519 Y 7.32 4.92 0.00 1.88 1.43 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 0.00 520 T 8.65 4.92 4.38 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 1.35 0.00 0.00 521 W 9.15 5.51 0.00 3.23 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 0.00 522 Y 9.40 5.42 0.00 3.00 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 0.00 523 T 9.02 5.37 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 1.34 0.00 0.00 524 D 9.03 4.95 0.00 2.90 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 0.00 525 G 9.25 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.26 5.07 0.00 3.96 3.81 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 0.00 527 S 8.63 5.09 0.00 3.85 3.65 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 0.00 528 F 8.41 4.97 0.00 3.08 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 0.00 529 L 8.58 5.10 0.00 1.61 1.67 0.94 0.79 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 0.00 530 Q 9.19 4.50 0.00 2.38 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.16 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 531 E 10.24 3.61 0.00 2.11 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 2.26 2.25 0.00 532 G 8.75 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 0.00 533 Q 7.78 4.76 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 534 R 8.36 4.48 0.00 1.84 1.73 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 535 R 8.90 4.86 0.00 0.67 1.42 0.00 3.25 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 536 A 7.98 4.96 1.19 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 0.00 0.00 537 G 9.26 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 A 8.91 5.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.15 5.25 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 0.00 540 V 9.32 5.06 2.04 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 0.67 0.00 0.00 0.99 0.00 0.00 541 T 9.26 5.10 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 542 T 8.51 4.97 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 1.40 0.00 0.00 543 E 9.16 3.80 0.00 2.05 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 2.36 2.39 0.00 544 T 7.58 4.65 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 0.00 545 E 8.43 4.61 0.00 1.97 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 2.22 2.37 0.00 546 V 8.11 4.19 2.04 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 0.73 0.00 0.00 0.90 0.00 0.00 547 I 8.27 3.92 1.55 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.35 0.42 0.00 0.00 548 W 7.85 4.98 0.00 3.22 2.82 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 0.00 0.00 0.00 549 A 7.57 4.55 0.98 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 0.00 0.00 550 R 7.94 4.36 0.00 1.15 1.53 0.00 3.14 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.57 0.00 551 A 8.51 4.49 1.22 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 0.00 0.00 552 L 8.40 4.82 0.00 1.47 1.59 0.98 1.04 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 561 A 8.30 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 562 E 8.65 4.04 0.00 2.30 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 0.00 2.61 2.61 0.00 563 L 8.13 4.03 0.00 1.98 1.77 1.09 0.76 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 I 8.05 3.71 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.10 0.00 0.00 565 A 8.34 4.14 1.60 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 0.00 566 L 8.01 3.95 0.00 1.92 1.85 0.94 0.90 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 0.00 567 T 8.17 3.81 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 0.00 568 Q 7.94 3.60 0.00 1.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.56 0.00 569 A 7.86 4.13 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 570 L 7.66 3.96 0.00 1.77 1.88 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 571 K 8.12 4.11 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.56 7.81 572 M 8.22 4.31 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 573 A 7.68 4.77 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 0.00 574 E 7.50 4.03 0.00 2.10 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 2.35 2.45 0.00 575 G 9.09 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 0.00 576 K 7.91 4.57 0.00 1.67 1.19 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.64 7.81 577 K 8.84 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0.00 1.36 1.52 7.81 613 N 9.23 4.58 0.00 3.07 3.03 0.00 0.00 7.36 8.35 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 0.00 614 K 8.21 3.98 0.00 2.00 2.27 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 615 N 8.11 4.35 0.00 2.78 2.92 0.00 0.00 7.15 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 0.00 616 E 8.15 4.06 0.00 2.11 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 0.00 2.45 2.50 0.00 617 I 8.12 3.74 1.89 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 1.51 0.89 0.94 0.00 0.00 618 L 8.02 3.98 0.00 1.72 1.73 0.93 0.56 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 0.00 619 A 8.05 4.01 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 0.00 620 L 7.94 3.95 0.00 1.77 1.89 0.86 0.23 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 0.00 621 L 7.98 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 H 8.50 3.97 0.00 3.24 3.37 0.00 5.92 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 Q 7.85 4.36 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 640 K 8.36 4.17 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.38 7.81 641 G 7.84 3.87 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 0.00 0.00 0.00 642 N 8.33 4.88 0.00 2.78 2.84 0.00 0.00 5.96 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 0.00 643 S 7.76 4.31 0.00 4.05 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 0.00 644 A 8.33 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 645 E 8.05 3.73 0.00 1.94 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 1.75 2.21 0.00 646 A 7.79 3.90 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 0.00 647 R 8.09 3.87 0.00 1.70 1.87 0.00 3.27 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 648 G 7.65 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 0.00 0.00 0.00 0.00 0.00 0.00 649 N 7.68 4.39 0.00 2.91 2.85 0.00 0.00 6.91 7.22 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 0.00 650 R 7.91 3.84 0.00 1.95 2.02 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 651 M 8.16 3.94 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 652 A 8.11 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 0.00 653 D 8.18 4.97 0.00 2.85 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 0.00 654 Q 8.35 3.98 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 655 A 8.23 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 A 8.21 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 657 R 8.12 3.97 0.00 2.02 1.92 0.00 3.04 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 658 E 8.59 3.86 0.00 2.08 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 2.27 2.30 0.00 659 A 8.08 3.90 1.26 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 0.00 0.00 660 A 8.03 3.97 1.60 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 0.00 661 M 8.51 4.16 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 662 K 8.38 4.08 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.60 7.81 663 A 7.87 4.01 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 0.00 664 V 7.54 3.57 2.31 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 0.93 0.00 0.00 1.00 0.00 0.00 665 L 7.86 4.17 0.00 1.68 1.70 0.91 0.80 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 0.00 666 E 8.02 4.04 0.00 2.05 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 2.35 2.36 0.00 667 T 7.10 3.73 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.