NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4322 8.3044 120.3556 54.9930 33.4636 174.3294 502 Y 3.8555 8.5128 122.1940 56.5085 39.2794 173.5162 503 D 4.5449 7.9500 126.1916 51.7614 43.8046 175.6261 504 W 3.8753 8.2674 135.0000 60.6573 30.7241 177.3621 505 F 4.2463 8.0490 117.0152 60.7573 38.0796 177.5841 506 S 3.9784 8.1404 112.1580 61.1842 62.1775 175.8146 507 E 3.8706 7.5724 121.5729 59.6257 29.3854 178.7644 508 M 3.7946 7.4185 118.6135 58.2015 31.6129 178.8159 509 R 3.8989 7.7193 117.5765 58.8370 30.1969 178.6341 510 K 4.1143 7.1980 117.1069 59.1991 32.5591 178.7162 511 K 4.2663 8.1346 117.8933 58.3872 33.4326 177.7234 512 D 4.7897 8.2444 117.9755 51.2830 41.5028 172.5393 513 P 4.2061 0.0000 0.0000 66.1807 31.5005 176.6402 514 V 4.8506 7.7332 113.8406 59.8715 33.0378 174.5860 515 Y 5.1239 10.0524 126.9027 56.1173 42.7194 172.9250 516 Y 4.2960 8.1921 126.9597 55.5027 39.8371 174.6166 517 D 4.2400 7.2817 125.6688 52.6909 39.8325 176.2943 518 G 3.6561 5.6597 110.9587 46.0381 0.0000 174.9547 519 N 5.1285 7.9334 113.5006 52.2558 39.6650 174.1504 520 I 4.9670 7.5611 110.8573 59.1824 41.4848 174.1893 521 W 4.8200 9.0638 123.2805 56.2644 31.1192 175.5471 522 Q 5.2520 9.7317 121.7349 54.4705 32.1671 174.2407 523 V 4.8790 9.2919 125.1797 61.6408 32.9533 175.8560 524 L 4.7966 8.9024 126.6544 54.4432 43.5907 176.8056 525 S 4.7207 7.9722 113.8540 56.7843 65.2638 174.5273 526 Y 3.9626 8.8462 122.2086 60.5764 38.5142 178.1998 527 R 3.7663 7.7802 119.3347 59.6485 29.8474 177.8464 528 Y 4.4803 7.2180 115.8747 60.6972 38.0549 178.1732 529 T 3.8623 8.0021 117.1663 66.4043 68.4525 176.7872 530 K 3.8291 7.8401 121.5091 59.0429 31.8735 178.5685 531 E 3.9340 7.6785 118.9249 58.8412 29.3342 178.5685 532 V 2.9137 7.6707 118.3826 65.7967 31.3249 178.1119 533 L 4.0311 7.4427 117.1314 57.5523 41.5457 178.5250 534 N 4.7853 7.8230 113.8587 53.2535 40.1480 175.3509 535 N 4.6644 7.5096 120.2920 51.2438 38.1530 174.5973 536 F 4.5463 7.7565 116.4847 58.7478 38.8870 177.5547 537 S 4.3090 7.2783 115.0453 61.2257 62.3561 175.3455 538 K 3.8476 9.4092 120.2780 58.0225 31.8079 176.1851 539 F 4.8630 8.3032 119.5675 55.4457 38.9447 174.6895 540 S 4.5074 8.6828 120.5559 58.1796 63.0765 174.7917 541 S 4.5954 9.1726 120.9841 58.5887 63.1056 174.1884 542 D 5.1273 8.2481 122.2765 52.5150 39.0640 175.6700 543 L 4.6734 7.9142 119.5283 54.5865 42.5977 177.2276 544 T 4.4278 7.5799 108.9207 60.9795 69.2812 175.0309 545 G 4.3762 8.0213 108.7974 47.4508 0.0000 175.4910 546 Y 4.7345 7.9314 121.7557 61.2552 38.4459 178.2075 547 H 3.9502 8.4946 114.7346 59.0274 29.0448 176.7932 548 E 4.0780 8.3849 118.9785 58.8538 29.5374 177.9355 549 R 4.4614 8.0655 115.4799 55.5343 30.9669 177.4175 550 L 3.8902 7.8754 121.6161 58.4870 42.0465 178.0720 551 E 3.8609 8.2337 118.1054 59.8940 29.5525 178.7597 552 D 4.4701 8.0027 117.2621 56.5629 41.0544 178.6414 553 L 3.9076 7.9496 120.5292 57.5014 41.5240 178.6815 554 R 4.3346 8.1845 115.0995 56.9954 30.1004 177.3266 555 N 4.7003 8.0301 116.4321 52.5031 38.9139 176.6500 556 G 4.0130 7.6304 107.0879 45.4851 0.0000 175.1443 557 K 3.9341 7.5527 118.1601 59.5140 32.1262 177.7165 558 I 3.9593 7.4212 122.9579 61.0687 36.5647 176.3805 559 R 4.2027 8.5984 125.8953 58.3386 30.4863 177.2527 560 F 4.7519 7.6279 117.4526 56.8088 42.4063 172.2727 561 D 3.9859 6.6118 124.1846 53.1900 43.8956 174.8928 562 I 3.8365 7.6853 123.0867 60.2457 37.1904 175.1649 563 P 4.2521 0.0000 0.0000 65.9354 31.2333 178.5682 564 T 3.9305 7.6114 105.3036 63.3483 68.5691 175.2108 565 R 3.6215 7.1981 120.8480 57.6205 30.2386 176.3526 566 Y 3.6538 7.1621 115.6299 55.3103 38.0637 174.2559 567 T 4.7381 7.9408 114.4731 59.3306 72.5028 175.7192 568 M 4.0968 8.3466 118.5396 57.9998 31.3460 177.5334 569 L 4.0936 7.7906 121.1174 57.9002 42.4659 178.3676 570 T 5.3619 7.8527 108.6841 60.2060 69.1008 173.6792 571 S 4.6923 7.7016 114.3835 57.9110 66.7198 172.4046 572 D 5.2430 8.4709 119.7329 51.4513 43.9441 174.1461 573 P 4.5827 0.0000 0.0000 61.9970 31.9383 175.9172 574 P 4.3741 0.0000 0.0000 64.2149 31.5026 177.9812 575 L 3.8590 7.8059 120.8791 58.6890 41.8174 177.6784 576 H 4.2932 8.1299 119.4032 58.8664 29.7070 176.8141 577 D 4.2168 7.9060 119.6880 57.2869 40.4652 178.4937 578 E 3.9284 8.3475 118.4238 59.2801 29.8927 179.1402 579 L 4.2351 8.1692 119.3017 58.0531 41.7221 179.7023 580 R 3.9358 8.2445 119.1504 59.2343 29.7861 178.4557 581 S 4.0927 8.2438 114.2549 61.7017 62.4925 176.2396 582 M 4.3764 7.9077 120.5946 56.9106 31.9279 176.9773 583 S 4.5625 8.1714 112.1803 57.5751 64.1597 175.4956 584 A 4.0702 7.6470 123.2089 54.9312 18.2054 178.6312 585 D 4.9016 7.7183 113.7716 53.7113 42.3755 177.4262 586 I 3.4597 7.6109 122.4422 63.9319 37.1300 177.4145 587 F 5.2033 7.0776 117.1141 56.5378 39.5709 176.4098 588 S 4.3541 7.7588 115.4748 57.6859 64.9152 172.1378 589 P 4.2761 0.0000 0.0000 66.0414 31.0021 178.7068 590 Q 4.0093 8.1269 115.5387 59.3877 28.1349 178.8263 591 K 4.0032 7.5871 119.3736 59.1477 32.5231 179.0718 592 L 4.1999 8.3286 119.5887 57.7947 41.6508 179.2977 593 Q 4.1808 8.4257 120.0363 59.3966 28.7984 178.2251 594 T 4.2462 7.5816 108.8410 63.4676 69.4590 175.9631 595 L 4.2585 7.8499 123.1372 56.9782 42.0550 178.0139 596 E 3.9951 7.7324 117.9399 60.2808 29.4747 179.1578 597 T 3.7361 8.1080 114.7650 66.8891 68.4884 176.1999 598 F 4.2042 8.2197 121.7740 61.2372 39.5382 177.2026 599 I 3.5021 7.9694 119.5121 64.4617 36.9617 178.4897 600 R 3.8687 8.8624 120.5055 59.3147 29.9560 178.4685 601 E 3.9206 8.2752 118.5876 59.5928 29.4743 179.3860 602 T 3.6737 8.0052 116.0630 66.6974 68.3538 176.6540 603 T 3.7928 7.8659 117.6555 66.8257 68.4555 176.5075 604 R 3.9143 7.8372 119.6299 59.6465 29.9562 179.1411 605 S 4.0767 7.6712 110.6531 61.2086 62.4444 175.9489 606 L 4.1363 7.8407 121.9289 57.7645 41.3417 179.3983 607 L 4.0705 8.2092 119.0966 57.8370 41.3045 178.9973 608 D 4.4095 8.2313 118.7455 57.2586 40.8670 178.3761 609 S 4.4806 7.6010 111.8405 57.8825 63.9293 174.5590 610 I 3.9201 7.3208 124.9338 61.3720 37.7065 175.0413 611 D 4.6299 9.2931 125.4981 52.3969 41.3082 174.8577 612 P 4.2782 0.0000 0.0000 65.9287 31.6569 179.0193 613 R 3.8891 7.9182 116.2016 58.8821 30.1202 176.8567 614 E 5.0667 7.4607 112.6126 56.2341 33.3899 174.8738 615 D 4.3706 8.0081 123.8022 53.8157 45.1878 174.1671 616 D 5.2219 8.2661 123.3665 52.9564 41.4438 176.9046 617 I 4.0084 8.3005 121.6177 63.0109 37.5870 178.3470 618 V 3.4588 7.7951 120.4497 65.8709 31.3159 177.5467 619 K 3.8746 8.0084 117.2938 59.6588 32.3015 178.5379 620 K 4.1844 8.3478 117.3277 58.2082 32.1049 177.3613 621 L 4.4779 7.4848 117.8173 55.8629 44.2254 177.8923 622 A 3.9735 8.5425 120.6323 55.1184 17.5671 179.8360 623 V 3.6392 8.5104 118.5513 65.0104 31.7717 176.5638 624 P 4.4321 0.0000 0.0000 65.6831 31.2392 177.5129 625 L 3.8663 7.6668 120.6010 57.7384 41.8866 177.3778 626 P 5.0624 0.0000 0.0000 65.5559 31.3684 178.3614 627 I 3.8089 7.3891 120.0127 64.3062 36.9031 178.5026 628 I 3.9264 8.4104 121.1406 64.2111 36.8957 178.7905 629 V 3.9923 8.1070 119.3143 66.1543 31.5063 178.0290 630 I 3.9092 8.1041 118.0673 63.7634 37.7732 178.0521 631 S 4.2722 8.1481 116.2660 61.2364 62.4330 176.3780 632 K 3.8553 7.6418 121.5319 59.5528 32.0450 178.6230 633 I 3.8832 7.6167 118.5986 64.5793 37.1763 178.2843 634 L 4.2146 8.3174 118.8178 55.4017 41.7063 177.2980 635 G 3.7960 8.5892 106.4851 46.5225 0.0000 173.2038 636 L 4.8733 7.7194 117.4530 51.8064 44.2146 175.0987 637 P 4.4780 0.0000 0.0000 62.5217 31.9711 177.7759 638 I 3.9120 8.5454 123.0555 63.5354 37.7924 177.2280 639 E 4.1298 8.1886 116.7505 58.1437 29.6307 177.3244 640 D 4.3518 7.6267 119.8386 53.9038 41.0491 177.9232 641 K 3.7226 7.6122 121.9602 60.1941 32.4732 178.9566 642 E 3.8015 7.7644 118.9993 58.7542 29.3580 179.3235 643 K 3.2557 7.0775 118.2453 59.1538 32.0039 179.2576 644 F 4.5508 7.3749 118.2945 60.3655 38.7593 177.6866 645 K 3.9376 8.2442 119.7506 59.3909 31.9889 178.4989 646 E 3.8734 7.7850 119.2320 59.1488 29.4631 178.8938 647 W 4.5380 7.9800 118.9667 59.5776 28.8712 178.8691 648 S 4.2173 8.3342 114.8943 61.7676 62.5205 176.0179 649 D 4.4630 8.2291 121.4341 57.5385 40.3911 178.0981 650 L 4.0008 7.9469 119.4487 58.9378 42.0641 179.1875 651 V 4.1197 8.0951 114.5444 62.4306 31.8899 175.8916 652 A 3.9445 7.5641 120.2271 51.7899 19.1881 179.4720 653 F 4.8786 8.0172 120.8888 57.9460 36.6600 174.9220 654 R 3.8040 7.2846 118.3351 58.0033 30.1538 179.9758 *662 F 4.4939 7.7827 123.8953 57.1470 41.0157 173.2454 663 E 4.2684 5.9229 117.1585 54.8123 31.5428 174.4933 664 L 4.4446 8.5850 126.6215 53.4841 41.7235 175.3724 665 G 4.3154 8.1181 111.7064 41.5331 0.0000 171.1722 666 K 3.9289 8.6042 118.6116 59.6782 31.9945 179.4060 667 K 4.2918 8.1755 119.1166 59.1395 32.0658 178.5295 668 Y 3.8924 8.1101 118.9684 60.4984 38.8557 177.2662 669 L 4.0207 8.6505 121.6522 58.6975 41.6626 179.0459 670 E 4.0598 8.4593 118.0797 58.9872 29.3206 179.1817 671 L 2.4400 7.0878 120.1173 57.4724 41.9797 178.9167 672 I 3.6013 7.2539 119.7892 64.4898 37.0004 178.7467 673 G 3.6247 8.1270 106.3671 47.6246 0.0000 175.2493 674 Y 3.9549 8.0349 121.4425 60.5809 39.1517 177.8658 675 V 3.8574 7.8340 119.1785 65.8640 31.7596 177.6247 676 K 3.8580 7.9857 119.3300 59.7980 31.8727 178.0408 677 D 4.6185 8.1055 116.0406 55.9627 40.7451 176.4560 678 H 4.8254 8.1466 116.8247 55.3719 29.9056 175.1651 679 L 4.2191 7.9164 119.7836 56.4942 41.6399 177.3905 680 N 4.8740 7.8693 116.0955 52.5574 37.5989 176.8346 681 S 4.1090 7.7189 118.3731 60.7676 62.9854 176.9114 682 G 4.0755 7.7654 105.9814 45.4862 0.0000 174.0886 683 T 4.0336 7.2253 108.8682 61.0938 69.7974 174.7848 684 E 3.8025 9.0087 124.0163 59.9692 29.3478 179.7527 685 V 3.4985 7.6040 117.2435 65.7498 31.6748 177.9058 686 V 3.4686 7.6384 117.5384 66.0069 31.4087 177.9558 687 S 4.0482 8.4570 115.2111 61.5292 62.4765 176.6001 688 R 3.7868 7.5827 119.8505 59.3698 30.1089 178.2694 689 V 3.4984 7.7267 118.3387 66.0796 31.2856 178.2884 690 V 3.5922 7.8227 117.6668 64.4776 31.1133 176.9981 691 N 4.7018 7.8103 114.4028 52.7611 39.1159 175.1551 692 S 4.4125 7.6873 116.0711 57.8424 64.1383 173.5674 693 N 4.7217 8.4190 115.6518 52.7417 37.2714 175.3161 694 L 4.1732 7.5356 119.3059 54.6922 42.3715 177.4796 695 S 4.4537 8.7084 116.8377 57.8517 65.1752 175.2898 696 D 4.2512 8.4248 120.5311 57.7012 40.5976 178.6574 697 I 3.6613 7.8204 119.7116 64.7939 37.0592 178.1422 698 E 3.9816 8.0562 118.6394 59.3684 29.4340 179.5406 699 K 4.0905 8.0731 118.5510 59.4662 32.0810 179.4361 700 L 4.1292 8.2610 119.5400 57.6175 41.4972 179.8344 701 G 3.5401 8.0961 105.7381 47.9303 0.0000 174.9228 702 Y 4.0554 8.4779 122.7994 60.7220 38.7513 178.5737 703 I 3.9014 7.9169 120.2560 64.2557 37.1181 178.5089 704 I 3.6816 7.8016 120.7893 64.1411 36.9596 178.0334 705 L 4.0534 8.3288 121.5303 58.4293 41.7262 179.0463 706 L 4.1975 7.8003 117.3065 57.7850 41.6127 179.0717 707 L 4.1025 8.1737 119.8870 57.7261 42.2436 178.2247 708 I 4.1963 8.5625 119.3971 62.9212 37.5658 177.6317 709 A 4.5305 8.5755 121.5660 54.2984 18.5121 178.1611 710 G 4.4944 7.8582 103.4010 44.9800 0.0000 174.4522 711 N 4.4010 7.9551 118.7694 55.9895 38.5616 176.8948 712 E 3.8934 7.9870 120.1457 59.5306 29.9495 179.0805 713 T 3.8416 7.7422 109.3359 65.2786 68.8510 176.5309 714 T 4.0686 7.9265 118.1673 66.1721 68.0438 177.1984 715 T 4.0978 8.0401 119.4805 66.0407 68.4504 176.4131 716 N 4.3492 8.3894 118.6349 56.3871 38.4944 177.1154 717 L 3.9856 7.9440 121.5839 58.1811 42.0195 179.2752 718 I 3.7683 7.6227 119.4287 64.4054 37.1503 178.3289 719 S 4.0608 8.0580 115.8357 61.9928 62.5416 176.6599 720 N 4.5228 8.6842 119.2448 56.5223 38.1395 177.7643 721 S 3.4683 7.7272 116.7342 61.0404 62.9998 176.7517 722 V 3.9102 7.5889 120.9815 66.0232 31.2540 177.9555 723 I 3.5945 7.7220 118.2254 64.3207 37.8860 177.6227 724 D 4.1851 8.2053 120.0817 57.3875 40.4986 178.8473 725 F 4.2591 7.9110 118.3171 60.1848 38.6007 178.0757 726 T 4.3464 7.7499 115.2494 66.5329 68.3062 176.9215 727 R 3.6753 8.1516 118.7467 59.5051 30.0317 177.8883 728 F 4.3673 7.6422 112.7021 56.6726 39.3217 175.6539 729 N 4.2535 7.6982 118.3733 54.5617 37.2745 174.4050 730 L 4.4571 8.4977 118.2430 54.3255 42.9923 178.2564 731 W 4.3367 8.0368 120.0046 60.0196 29.0625 177.6533 732 Q 3.9960 8.2723 118.5755 59.2620 28.4695 178.2190 733 R 3.8307 7.8866 119.0369 59.4918 30.1674 178.2498 734 I 3.3555 7.8402 119.9310 64.3722 37.0731 178.4282 735 R 3.9479 7.9415 118.6829 59.4027 29.7415 178.8263 736 E 3.9507 8.1241 117.3358 59.1956 29.6045 178.1915 737 E 4.3358 8.4288 115.0159 55.0772 30.4398 175.4173 738 N 4.2042 7.4666 116.2493 54.7736 37.5173 173.7614 739 L 4.4485 7.6924 115.5957 55.1843 42.7179 178.8253 740 Y 4.4942 7.9388 118.6859 61.5386 37.7347 178.3785 741 L 4.0913 8.1778 118.7423 58.2134 41.8587 179.7902 742 K 4.0003 8.0502 117.2858 59.4747 32.1006 179.2618 743 A 4.1148 8.9786 122.2810 55.1540 18.1992 179.7744 744 I 4.0348 8.1336 118.5226 64.5080 37.2596 178.4556 745 E 4.1828 8.3194 119.6171 59.3111 29.2389 178.9680 746 E 3.7477 8.3418 119.2982 58.8327 29.5626 178.7028 747 A 4.2972 8.1970 121.1208 55.1319 18.2335 179.5349 748 L 3.8421 8.0563 117.0509 57.8040 41.6943 179.5553 749 R 3.9767 7.5244 117.5790 59.6017 30.1473 177.6554 750 Y 4.1477 8.4275 118.3702 59.3406 40.2008 175.8030 751 S 4.7355 8.3975 114.3230 55.6228 63.1909 172.1501 752 P 4.2271 0.0000 0.0000 62.6710 31.7817 175.1278 753 P 4.5995 0.0000 0.0000 64.0915 32.5384 176.1463 754 V 4.6591 7.5803 119.2136 61.5303 32.2589 175.8267 755 M 4.5322 9.7035 129.4254 57.8524 33.0742 176.2140 756 R 4.5539 7.3796 112.3671 56.1553 32.2103 173.1424 757 T 4.7156 7.7622 113.2111 61.1687 71.2038 172.1845 758 V 4.9498 8.0360 119.0014 60.8808 34.7724 173.6685 759 R 4.9863 8.9189 119.5770 54.8476 35.3458 173.7417 760 K 5.0829 8.8074 120.2954 55.1853 35.6188 175.8135 761 T 4.1921 8.9523 119.1298 61.9311 69.2059 175.4535 762 K 4.1231 8.9384 125.0707 58.4107 32.9977 176.0974 763 E 4.8907 7.4942 115.7746 55.8667 31.7604 173.3743 764 R 4.4759 8.3019 116.2534 56.4489 30.0854 176.4236 765 V 4.4122 8.8505 122.7022 59.6478 35.3262 174.3405 766 K 4.7447 8.4467 121.5580 54.8742 33.6439 175.7549 767 L 4.4693 8.3486 127.0023 53.8316 45.4042 176.9641 768 G 3.1576 8.2495 117.4674 46.4748 0.0000 173.3846 769 D 4.8488 8.9530 120.9374 53.6121 41.6898 175.1564 770 Q 4.6642 7.9104 118.9510 54.4016 31.1358 174.6145 771 T 4.6883 8.1696 115.9329 62.0272 70.9032 173.5594 772 I 3.8713 8.6416 129.1322 59.4031 38.8253 175.9274 773 E 4.3523 8.5960 126.0673 55.9174 30.3389 176.4142 774 E 4.0759 8.0390 122.2980 56.5768 31.0417 177.4323 775 G 3.8806 8.6646 112.3361 45.9831 0.0000 173.1713 776 E 4.4528 7.8274 119.7326 55.2140 31.4849 175.2591 777 Y 4.8612 8.5711 121.8383 57.8468 39.7226 174.4884 778 V 4.6370 8.9230 124.6414 61.2085 34.0972 174.2410 779 R 4.6922 9.2192 130.5030 55.6718 31.1637 175.2396 780 V 4.6702 8.1288 119.8107 59.7644 34.0950 175.5377 781 W 4.8884 9.1245 126.5475 55.2506 28.3826 176.8557 782 I 3.6595 8.4535 125.7896 64.3378 36.5370 177.3807 783 A 4.0113 7.9469 120.1549 55.2910 18.5129 179.4247 784 S 3.9487 7.7072 110.7458 61.4183 61.9876 175.9487 785 A 4.2719 8.2593 123.6185 55.2314 17.8247 178.8835 786 N 4.6525 8.1646 113.3551 54.9003 38.7682 176.0526 787 R 4.4254 7.8369 118.3624 55.4883 30.5662 175.4187 788 D 4.4046 8.0121 118.7461 54.4079 41.1637 176.9155 789 E 4.1188 8.8376 127.2124 59.4836 29.6869 178.5157 790 E 4.0566 8.4035 117.4610 58.0954 29.8825 177.5995 791 V 3.6096 7.5994 116.4253 63.3287 33.2637 175.2673 792 F 4.5660 8.5762 122.3891 55.3209 38.5146 174.0613 793 H 4.3463 8.5683 125.3316 57.2897 30.3514 174.7432 794 D 4.4960 8.7103 125.5429 55.1584 38.0722 175.8438 795 G 3.8327 7.9622 108.8981 47.8424 0.0000 175.0001 796 E 4.3605 8.1072 116.0373 56.7527 30.4483 176.2438 797 K 4.3871 8.3200 120.3074 54.9154 33.5182 176.3583 798 F 3.8976 8.0427 125.6134 56.9324 38.2718 175.0347 799 I 4.1692 8.2581 130.9444 58.4989 36.6385 175.2115 800 P 4.1784 0.0000 0.0000 64.7215 31.0901 177.0234 801 D 4.8266 7.6940 116.9414 52.5639 39.6408 175.8194 802 R 3.7918 7.5784 119.8850 57.6106 30.2801 175.6886 803 N 4.5412 8.2766 121.3299 52.1954 41.3446 172.2328 804 P 4.6007 0.0000 0.0000 62.8938 32.5486 176.7196 805 N 5.2264 8.0719 116.0209 52.3092 39.3958 173.2319 806 P 4.7450 0.0000 0.0000 62.1996 31.0300 177.0278 807 H 4.8854 7.5533 112.6367 57.0109 29.6378 174.9559 808 L 4.9007 8.3097 117.7727 54.7132 42.2505 179.4072 809 S 4.1134 8.5056 117.0136 60.9866 63.1707 175.3404 810 F 4.8123 8.3298 117.0813 56.9771 39.5140 176.5619 811 G 3.6594 9.3594 108.3726 45.6812 0.0000 172.6384 812 S 4.4774 8.4234 110.0343 58.8855 65.7096 176.4406 813 G 3.9915 8.6068 112.1088 44.1324 0.0000 173.9799 814 I 3.7538 8.3868 111.6072 63.7247 37.6785 176.3958 815 H 4.6126 8.0890 115.7537 55.0729 29.0214 174.3694 816 L 3.8466 7.7565 121.4483 55.4088 41.7707 175.9917 817 C 3.6860 9.3592 125.5822 59.2470 31.6640 174.5484 818 L 4.0919 8.8244 129.6451 57.7028 42.0832 177.4605 819 G 3.8433 8.1846 105.1519 45.2234 0.0000 174.7801 820 A 2.7987 7.4667 122.3861 54.6927 18.2298 178.4689 821 P 4.1190 0.0000 0.0000 65.0962 31.3541 178.8019 822 L 3.7539 7.7953 119.4896 57.8792 41.9779 178.5069 823 A 3.9925 7.7769 120.1728 55.3668 18.2513 179.5834 824 R 3.9881 8.2709 116.6694 59.3180 30.1213 179.0796 825 L 3.9594 7.8128 119.6878 58.2722 42.1624 178.7805 826 E 3.9539 8.7541 118.5941 59.3556 29.3251 179.3678 827 A 4.0179 8.4650 121.0960 55.2364 18.4603 179.5573 828 R 3.9954 8.3062 117.4987 59.7997 30.0268 178.8431 829 I 3.8356 8.1064 119.4303 64.2069 37.0533 178.1414 830 A 4.0478 8.2168 121.7241 55.3427 18.1344 179.8416 831 I 4.1437 8.3412 118.5793 64.7020 37.4054 178.5230 832 E 3.8466 8.4872 119.6274 59.4992 29.0391 179.3764 833 E 3.9905 8.2818 117.4844 59.2334 29.9497 178.7479 834 F 4.5949 8.6565 121.1613 61.6255 39.2978 177.4395 835 S 2.9923 8.4836 112.6335 60.9363 62.8565 176.2546 836 K 4.0098 7.6137 120.8858 58.6657 31.7801 179.3480 837 R 3.9862 7.3696 118.0081 57.5553 30.6461 176.6454 838 F 4.7185 6.7385 111.7957 55.1455 39.6039 175.3880 839 R 4.1883 8.4323 122.9240 57.9412 31.1497 175.5783 840 H 5.0493 8.5112 118.4041 54.8651 33.5970 171.9977 841 I 4.5965 7.9416 124.3739 59.0605 41.2082 173.9921 842 E 4.5451 8.5304 127.4992 54.6629 33.2397 174.0283 843 I 4.2127 8.3829 128.2265 61.4719 37.2134 175.6038 844 L 4.3247 9.2488 128.7683 56.9216 42.8438 176.2670 845 D 4.7329 7.6473 115.7991 53.7686 45.0714 173.6154 846 T 5.1471 8.1104 116.4836 62.5357 73.2963 173.2079 847 E 4.7397 8.8350 121.8915 55.4071 33.5074 173.8711 848 K 4.8971 8.6349 126.3001 54.1557 34.7360 176.4456 849 V 3.5861 7.8404 123.5812 61.4632 31.5110 174.7832 850 P 4.3800 0.0000 0.0000 62.4279 30.0056 175.3321 851 N 5.0432 8.1420 120.1279 52.3014 42.1717 173.6839 852 E 4.6651 8.7136 118.6768 56.2415 31.6641 176.8443 853 V 4.2367 7.8683 117.2936 64.1140 34.0572 175.1828 854 L 4.8177 7.8707 119.0662 53.7686 42.5682 175.8890 855 N 4.6756 9.2700 123.4650 52.6293 40.6864 173.1064 856 G 4.6196 7.5820 115.2571 45.6718 0.0000 169.3208 857 Y 4.8334 8.3115 116.4882 56.1829 40.2094 176.2980 858 K 4.2332 8.9491 125.0997 59.0978 32.6699 177.3355 859 R 4.9481 7.9175 116.7613 54.7643 34.9941 174.6136 860 L 4.5654 9.0591 123.9077 53.9164 43.9018 172.9232 861 V 4.3699 8.5250 123.6129 61.9827 32.8913 174.9337 862 V 4.8943 8.6104 120.2403 59.4443 36.3877 174.3411 863 R 4.8725 8.9199 121.2713 54.6873 33.1330 173.6863 864 L 5.1831 9.1223 126.0671 52.8530 44.5672 175.5960 865 K 4.7504 8.8959 123.0388 54.9753 36.7381 176.4126 866 S 4.1847 8.2890 117.4571 58.8950 63.9353 174.2913 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 501 M 8.30 4.43 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 502 Y 8.51 3.86 0.00 3.05 2.84 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 0.00 0.00 0.00 0.00 503 D 7.95 4.54 0.00 2.67 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 0.00 504 W 8.27 3.88 0.00 3.38 2.90 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 0.00 0.00 0.00 505 F 8.05 4.25 0.00 3.17 2.87 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 0.00 506 S 8.14 3.98 0.00 4.24 3.79 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 0.00 507 E 7.57 3.87 0.00 2.01 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 0.00 2.19 2.21 0.00 508 M 7.42 3.79 0.00 1.45 1.32 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.68 0.00 509 R 7.72 3.90 0.00 1.91 1.96 0.00 3.14 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 510 K 7.20 4.11 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 511 K 8.13 4.27 0.00 1.65 1.82 0.00 2.01 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.61 7.81 512 D 8.24 4.79 0.00 2.36 2.59 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 0.00 513 P 0.00 4.21 0.00 2.50 2.39 0.00 3.77 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 2.30 2.22 0.00 514 V 7.73 4.85 2.17 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 0.46 0.00 0.00 1.08 0.00 0.00 515 Y 10.05 5.12 0.00 3.11 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 0.00 516 Y 8.19 4.30 0.00 1.43 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 0.00 0.00 0.00 517 D 7.28 4.24 0.00 2.69 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 0.00 0.00 0.00 0.00 518 G 5.66 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 0.00 519 N 7.93 5.13 0.00 2.78 2.88 0.00 0.00 6.75 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 0.00 520 I 7.56 4.97 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 1.03 0.00 0.00 521 W 9.06 4.82 0.00 3.51 3.34 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 0.00 522 Q 9.73 5.25 0.00 2.48 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 523 V 9.29 4.88 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 1.22 0.00 0.00 1.00 0.00 0.00 524 L 8.90 4.80 0.00 1.51 1.49 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 525 S 7.97 4.72 0.00 4.04 3.99 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 0.00 526 Y 8.85 3.96 0.00 3.34 2.89 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 0.00 527 R 7.78 3.77 0.00 1.70 1.24 0.00 3.09 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.55 0.00 528 Y 7.22 4.48 0.00 3.07 2.90 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 0.00 0.00 0.00 529 T 8.00 3.86 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 1.14 0.00 0.00 530 K 7.84 3.83 0.00 1.22 1.62 0.00 1.49 0.00 0.00 1.16 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.46 7.81 531 E 7.68 3.93 0.00 2.22 2.14 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 2.35 2.34 0.00 532 V 7.67 2.91 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 0.44 0.00 0.00 0.16 0.00 0.00 533 L 7.44 4.03 0.00 1.64 1.93 0.89 1.01 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 0.00 534 N 7.82 4.79 0.00 2.71 2.86 0.00 0.00 6.81 9.07 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 0.00 535 N 7.51 4.66 0.00 2.73 2.86 0.00 0.00 6.83 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 0.00 536 F 7.76 4.55 0.00 3.14 3.23 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 0.00 537 S 7.28 4.31 0.00 3.64 3.69 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 0.00 538 K 9.41 3.85 0.00 1.94 1.19 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.12 1.21 7.81 539 F 8.30 4.86 0.00 3.37 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 0.00 540 S 8.68 4.51 0.00 3.94 3.85 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 0.00 541 S 9.17 4.60 0.00 4.06 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 0.00 542 D 8.25 5.13 0.00 2.60 2.60 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 0.00 543 L 7.91 4.67 0.00 1.70 1.85 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 544 T 7.58 4.43 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 1.04 0.00 0.00 545 G 8.02 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 0.00 0.00 0.00 0.00 546 Y 7.93 4.73 0.00 2.95 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 0.00 547 H 8.49 3.95 0.00 3.37 3.34 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 E 8.38 4.08 0.00 2.00 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 2.33 2.45 0.00 549 R 8.07 4.46 0.00 1.93 1.82 0.00 3.55 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 550 L 7.88 3.89 0.00 1.93 1.65 0.73 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 551 E 8.23 3.86 0.00 2.05 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 2.37 2.42 0.00 552 D 8.00 4.47 0.00 2.69 2.67 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 0.00 553 L 7.95 3.91 0.00 1.72 1.54 0.11 0.70 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 0.00 554 R 8.18 4.33 0.00 1.72 1.95 0.00 3.35 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 555 N 8.03 4.70 0.00 2.83 2.82 0.00 0.00 6.89 7.76 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 0.00 556 G 7.63 4.01 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 0.00 0.00 0.00 557 K 7.55 3.93 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.46 7.81 558 I 7.42 3.96 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.85 0.00 0.00 559 R 8.60 4.20 0.00 1.89 2.06 0.00 3.22 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 560 F 7.63 4.75 0.00 2.97 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 0.00 561 D 6.61 3.99 0.00 2.52 2.47 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 0.00 562 I 7.69 3.84 1.45 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 1.33 0.59 0.28 0.00 0.00 563 P 0.00 4.25 0.00 2.20 2.33 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 564 T 7.61 3.93 4.13 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 1.35 0.00 0.00 565 R 7.20 3.62 0.00 0.79 0.77 0.00 2.76 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 0.00 566 Y 7.16 3.65 0.00 2.38 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 0.00 567 T 7.94 4.74 4.09 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 1.15 0.00 0.00 568 M 8.35 4.10 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 569 L 7.79 4.09 0.00 1.59 1.66 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 570 T 7.85 5.36 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 1.13 0.00 0.00 571 S 7.70 4.69 0.00 3.75 3.88 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 0.00 572 D 8.47 5.24 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 1.75 2.13 0.00 3.17 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.58 0.00 574 P 0.00 4.37 0.00 2.39 2.25 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 575 L 7.81 3.86 0.00 1.51 1.56 -0.31 0.65 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 0.00 576 H 8.13 4.29 0.00 3.18 3.16 0.00 5.69 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 0.00 577 D 7.91 4.22 0.00 2.80 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 0.00 578 E 8.35 3.93 0.00 2.00 1.99 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 2.31 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0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 604 R 7.84 3.91 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 605 S 7.67 4.08 0.00 3.87 3.99 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 0.00 606 L 7.84 4.14 0.00 1.96 1.85 0.89 0.64 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 0.00 607 L 8.21 4.07 0.00 1.88 1.81 1.06 1.30 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 0.00 608 D 8.23 4.41 0.00 2.77 2.76 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 0.00 609 S 7.60 4.48 0.00 3.96 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 0.00 610 I 7.32 3.92 2.04 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 1.20 0.57 0.96 0.00 0.00 611 D 9.29 4.63 0.00 2.73 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 834 F 8.66 4.59 0.00 3.28 3.53 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 0.00 835 S 8.48 2.99 0.00 4.07 4.54 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 0.00 836 K 7.61 4.01 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.78 7.81 837 R 7.37 3.99 0.00 1.96 1.95 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 838 F 6.74 4.72 0.00 2.96 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 0.00 839 R 8.43 4.19 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 840 H 8.51 5.05 0.00 3.29 3.09 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 841 I 7.94 4.60 0.56 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 0.86 0.46 0.34 0.00 0.00 842 E 8.53 4.55 0.00 1.97 1.77 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 2.15 2.25 0.00 843 I 8.38 4.21 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.80 0.00 0.00 844 L 9.25 4.32 0.00 1.52 1.68 0.89 0.20 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 0.00 845 D 7.65 4.73 0.00 2.68 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 0.00 846 T 8.11 5.15 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 1.38 0.00 0.00 847 E 8.83 4.74 0.00 2.05 1.87 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 2.25 2.31 0.00 848 K 8.63 4.90 0.00 1.65 1.60 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.17 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.84 1.22 7.81 849 V 7.84 3.59 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 0.66 0.00 0.00 0.89 0.00 0.00 850 P 0.00 4.38 0.00 2.05 2.07 0.00 3.63 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 2.01 2.12 0.00 851 N 8.14 5.04 0.00 2.58 2.85 0.00 0.00 7.10 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 0.00 852 E 8.71 4.67 0.00 2.01 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 2.29 2.30 0.00 853 V 7.87 4.24 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 1.14 0.00 0.00 1.00 0.00 0.00 854 L 7.87 4.82 0.00 1.52 1.52 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 855 N 9.27 4.68 0.00 2.74 3.03 0.00 0.00 6.52 8.55 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 0.00 856 G 7.58 4.62 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 0.00 0.00 0.00 857 Y 8.31 4.83 0.00 2.84 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 0.00 858 K 8.95 4.23 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.57 7.81 859 R 7.92 4.95 0.00 1.76 1.72 0.00 3.15 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 860 L 9.06 4.57 0.00 1.54 1.37 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 861 V 8.53 4.37 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 0.85 0.00 0.00 0.90 0.00 0.00 862 V 8.61 4.89 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 0.81 0.00 0.00 0.92 0.00 0.00 863 R 8.92 4.87 0.00 1.76 1.65 0.00 3.01 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 864 L 9.12 5.18 0.00 1.43 1.44 0.96 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 865 K 8.90 4.75 0.00 1.79 1.62 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 866 S 8.29 4.18 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.