NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 534 E 4.3036 8.3033 121.4671 55.6848 31.0277 176.5860 535 E 3.6818 8.5835 122.9426 58.6063 28.9808 176.0526 536 E 3.9403 7.9406 119.3225 59.4191 30.4145 178.2535 537 T 3.9036 7.8464 109.1934 65.0784 68.6409 176.2916 538 R 3.8917 7.5239 120.4010 58.9415 30.1246 178.5442 539 E 3.9052 7.8209 118.5458 59.4755 29.3677 179.3715 540 L 3.8696 7.5237 118.7233 58.1889 42.2469 178.8394 541 Q 3.9734 7.8310 117.4225 59.2102 28.4802 178.8634 542 S 4.0900 7.6940 114.4793 61.8218 63.1119 176.5637 543 L 4.0696 7.8839 122.1421 58.2525 41.7073 178.8975 544 A 4.0871 8.1683 119.4235 54.5645 18.4198 178.5119 545 A 4.3310 7.7413 116.1721 51.5335 19.7188 177.3927 546 A 4.1942 7.0106 120.8825 51.1234 19.3229 177.8297 547 V 3.5879 8.1934 121.4724 62.7720 32.1019 175.9288 548 V 4.0153 8.2212 127.3448 60.9039 31.0802 173.7582 549 P 4.5145 0.0000 0.0000 61.9125 32.1456 177.0919 550 S 4.3900 8.3659 114.6815 57.9618 65.1090 174.9780 551 A 3.9175 8.5631 124.2694 55.4935 17.8382 179.4737 552 Q 3.9501 8.1443 116.0224 60.0760 29.1416 178.5338 553 T 4.0450 7.7200 115.0070 66.5477 68.3805 176.0378 554 L 4.3078 8.1028 119.3742 54.6942 41.9037 178.2041 555 K 4.0973 7.9895 117.3619 57.1170 30.1004 177.4731 556 I 3.5010 7.1746 113.7998 63.0940 37.6422 177.3062 557 T 4.1628 7.8660 116.8626 65.5087 68.7895 174.2028 558 D 4.5962 7.9042 122.6815 53.3592 41.5384 177.4840 559 F 4.3782 8.6791 122.8798 60.8500 39.0484 176.5363 560 S 4.4427 8.2176 113.7842 58.8887 63.0970 173.8921 561 F 3.9441 7.5926 122.4601 58.8438 38.9064 173.6529 562 S 4.3355 7.2143 120.1597 56.4346 64.0660 173.9456 563 D 4.8831 7.4089 119.6846 53.1479 38.5702 176.8948 564 F 3.8136 7.4833 118.0675 60.6888 38.8668 176.4679 565 E 4.3351 8.0545 116.1235 57.1112 29.9414 176.7871 566 L 4.4405 7.4392 119.6631 54.1479 42.5462 177.5751 567 S 4.4933 8.7776 117.5235 57.8469 65.3817 175.3423 568 D 4.3949 8.4907 121.9051 57.3435 40.5522 178.7066 569 L 3.9133 7.8621 120.3354 58.3292 42.0444 178.7011 570 E 4.0282 8.2627 118.6545 59.6780 29.3841 179.5309 571 T 3.3406 7.9486 109.6482 64.4565 68.6934 176.5696 572 A 4.1525 8.1613 123.6548 54.9424 18.3627 179.6476 573 L 4.0221 8.1073 117.5628 58.1367 41.7255 179.3522 574 C 4.1558 8.4526 116.9379 63.3022 28.1982 176.4693 575 T 4.1849 8.2848 117.2543 66.7151 68.1075 176.8749 576 I 3.8886 8.0958 121.8383 64.5311 37.0551 178.4557 577 R 3.9522 8.3012 119.5373 59.5365 29.7195 178.4732 578 M 3.5426 8.0404 118.5184 58.4028 31.9562 178.7642 579 F 4.1419 8.3311 117.5435 60.7316 39.0185 178.0411 580 T 4.0251 8.0600 115.4393 66.8373 68.2458 176.4755 581 D 4.7195 8.3861 118.3553 55.8711 41.0958 177.5961 582 L 4.4610 7.6801 118.5954 53.8231 41.9874 176.2061 583 N 4.3929 8.1112 115.3921 54.3828 36.9926 176.4037 584 L 4.3394 8.2840 121.5281 57.9794 41.6454 179.4609 585 V 3.7343 8.0133 118.1233 65.6579 31.0012 177.6926 586 Q 4.1078 7.9561 116.6483 58.9450 28.9882 177.6889 587 N 4.2973 8.0480 117.1107 54.6357 38.5350 175.8154 588 F 4.8833 7.6270 117.0286 56.3256 39.9029 175.3004 589 Q 3.3054 7.8099 117.3202 56.9365 26.6713 174.1500 590 M 4.2131 7.9277 116.6518 55.2377 32.8485 177.3755 591 K 4.2950 8.4422 122.7603 55.7449 34.2630 177.2309 592 H 4.0475 8.8899 123.7533 59.7878 29.8379 177.2023 593 E 3.9163 8.1794 120.1727 58.9451 29.3815 178.8536 594 V 3.8159 7.6099 119.4957 65.2578 31.7166 177.4868 595 L 3.8782 7.9935 120.1769 58.4135 41.8845 178.7347 596 C 4.0863 8.1507 116.6411 62.8691 27.9853 176.1531 597 R 3.8770 8.1702 120.3294 58.9267 29.6353 178.3952 598 W 4.3204 8.4448 129.8732 60.0260 30.7916 177.8774 599 I 3.2961 8.0562 119.8158 64.5090 36.5465 178.4983 600 L 3.7404 7.7750 119.5087 57.6124 41.3675 179.7812 601 S 3.9651 8.0684 115.5478 61.1938 62.4654 176.8669 602 V 3.2572 7.0180 120.1095 65.6986 31.4830 177.5358 603 K 3.7450 7.3496 119.2532 59.4406 31.9569 178.6721 604 K 3.8473 7.8714 118.5803 59.6186 31.7894 178.8378 605 N 4.4470 7.8661 114.5884 55.3376 38.8391 176.2012 606 Y 4.3437 7.7555 117.3890 58.9407 37.9540 177.3979 607 R 3.9425 7.6373 119.1821 59.2923 30.2374 177.9030 608 K 4.2403 7.8516 113.4346 57.0351 32.6007 176.9823 609 N 4.5374 7.7768 116.9036 52.5311 39.2247 175.2438 610 V 3.5944 7.9584 119.9836 62.5561 32.3533 177.0025 611 A 3.9283 8.2094 126.6483 55.1774 18.3745 179.0902 612 Y 4.3556 7.3596 111.5589 58.7006 38.4041 175.5844 613 H 5.2051 8.1758 118.0032 54.5390 29.8563 174.0183 614 N 4.8703 7.5763 119.0383 51.1317 40.5147 174.3871 615 W 3.5309 8.4641 128.4992 60.7180 30.4043 177.8159 616 R 3.5799 7.8664 117.2590 59.3382 29.5010 178.3095 617 H 4.0098 8.4966 117.7903 59.1451 29.8499 177.2295 618 A 3.8092 7.4619 122.4354 54.8772 18.0795 179.3056 619 F 3.5704 7.6236 119.4950 61.3600 39.2836 177.0480 620 N 3.9544 8.0441 116.1870 56.4793 38.2994 177.4584 621 T 3.8891 7.8099 116.8837 66.6026 68.4702 176.5386 622 A 3.9007 7.7544 122.6243 55.0707 18.2878 179.4915 623 Q 3.5331 7.7172 118.3189 59.2233 28.9833 177.9171 624 C 4.1016 8.0677 119.8516 62.5601 31.4772 175.1865 625 M 3.9820 7.8607 119.7452 58.6524 31.8632 177.9447 626 F 3.9404 8.3474 120.5989 61.1402 39.5220 176.9572 627 A 3.6520 8.3579 120.4446 55.0621 18.0366 179.3994 628 A 4.2814 8.4479 119.7152 55.5214 18.4083 179.9059 629 L 4.0269 8.0885 117.6444 57.9157 41.6846 178.3430 630 K 4.0397 7.7718 117.9384 57.9447 32.0463 178.7019 631 A 3.9229 7.4319 124.6581 55.2205 18.8220 178.7361 632 G 4.0495 8.0560 102.1646 45.3624 0.0000 173.5229 633 K 3.9159 7.4429 117.7071 57.5266 30.4072 176.6835 634 I 4.2019 7.4829 118.9860 62.5013 37.5591 177.0767 635 Q 3.9638 7.9496 121.5173 59.4633 28.6472 178.1550 636 N 4.4265 8.1635 115.3796 55.6552 38.6871 176.4014 637 K 4.3506 7.7347 117.5320 55.8151 32.7718 176.1981 638 L 5.0090 7.1427 118.5969 52.6557 45.1238 176.5897 639 T 4.4521 8.7055 111.8021 60.7582 71.4961 175.7608 640 D 4.4864 8.5373 120.7366 57.6411 40.8483 179.0890 641 L 3.9942 8.0431 118.9374 57.8406 41.6639 179.2886 642 E 3.9860 8.1382 118.0648 59.3934 29.4211 179.5011 643 I 3.6862 7.9081 119.8265 64.1992 37.1910 178.0767 644 L 3.8711 8.1707 121.1211 58.3222 41.7901 179.0251 645 A 3.9764 8.0556 120.5125 54.9875 18.2091 179.6669 646 L 3.9003 8.0900 117.7348 57.7068 41.6842 179.4407 647 L 3.8731 7.9007 120.2972 58.2066 42.0364 179.1642 648 I 4.0546 7.8101 119.5652 64.2964 37.1615 178.2251 649 A 4.0840 8.4243 121.7499 55.1765 18.0313 179.2902 650 A 3.9770 7.9663 118.0050 55.6806 18.5156 179.6758 651 L 4.2542 8.0249 115.9225 57.3522 42.1218 178.9174 652 S 4.8274 8.3649 113.4171 58.8672 63.2540 175.7614 653 H 4.4044 8.3647 116.9861 57.9403 28.4004 175.9451 654 D 4.7884 8.0002 119.1818 53.8562 40.8925 175.6517 655 L 4.1469 7.8574 120.9642 54.4405 41.2352 176.1557 656 D 4.7448 8.3829 121.8138 53.6673 42.2194 174.9333 657 H 4.1409 8.1080 117.8984 57.1384 29.6639 174.4587 *672 L 4.2915 8.4696 127.0341 54.4290 43.4646 177.9194 673 A 3.9033 7.9611 119.4555 52.9814 18.5655 176.4362 674 Q 4.6729 8.3266 121.1351 53.8437 30.6484 175.9274 675 L 4.3289 8.4319 121.5452 54.6110 42.0791 176.5397 676 Y 3.3312 8.4020 122.1012 57.3683 39.0940 175.2501 677 C 3.4530 6.4498 123.8012 61.4023 31.5479 173.2803 678 H 4.2619 8.7294 121.9759 56.5634 26.6857 174.9254 679 S 4.2412 7.7401 114.5109 58.5660 62.5124 175.5419 680 I 3.8701 8.4357 127.0733 64.1532 36.9623 176.7700 681 M 4.3518 8.1406 118.6614 55.7624 32.3480 176.5079 682 E 4.1629 7.8306 119.2536 56.3942 30.2067 176.1904 683 H 4.9861 8.2925 118.5013 54.6310 32.0761 172.9354 684 H 4.7109 9.1867 122.2033 54.8557 30.1444 174.3837 685 H 4.8229 8.0798 117.8958 53.7484 32.1999 174.4561 686 F 4.8622 7.4503 115.3960 57.1887 38.4289 177.5249 687 D 4.4905 7.6629 120.4827 57.9091 40.7237 178.1469 688 Q 4.0106 8.0387 119.5277 58.9546 29.1347 177.1979 689 C 4.1168 8.2171 119.4760 62.5848 31.7058 175.3319 690 L 4.0004 8.0935 121.6874 58.3601 41.5140 178.2952 691 M 4.0667 7.9508 116.9230 59.0086 32.5373 178.0123 692 I 3.9474 7.9337 119.7353 64.4099 37.3385 178.4251 693 L 4.2871 8.3149 119.7642 57.1034 41.1415 178.2732 694 N 4.9401 7.8034 113.6189 52.0413 39.5065 174.5393 695 S 4.5249 7.5763 116.4135 56.3317 63.4638 171.7768 696 P 4.3777 0.0000 0.0000 64.4017 31.2200 177.0683 697 G 3.9921 9.0447 109.8206 45.9148 0.0000 174.0043 698 N 5.1647 8.2596 115.9771 53.2001 39.7904 174.8357 699 Q 5.0989 7.9805 120.0460 54.0273 27.1561 176.3764 700 I 3.7774 7.5423 113.1143 62.4711 38.5597 177.6584 701 L 4.5775 7.6233 121.0936 54.5365 41.7741 178.3721 702 S 4.1199 7.8823 116.5680 61.1971 62.9885 176.0081 703 G 3.8426 7.8932 107.9089 46.8552 0.0000 173.7045 704 L 4.5221 7.5330 120.2061 54.1333 42.3783 177.7296 705 S 4.4040 9.0725 118.2941 58.1219 64.8777 175.6262 706 I 3.7522 8.2664 116.5218 64.2753 37.1485 178.2739 707 E 3.9584 8.1212 119.7233 59.2509 29.4092 178.6057 708 E 3.9793 7.9871 118.3428 59.7789 29.5655 179.0563 709 Y 3.9664 8.4197 119.4946 60.7659 39.0851 178.0830 710 K 3.8770 8.4708 119.7252 59.7305 32.1144 179.5814 711 T 3.8871 7.9425 116.1064 66.7817 68.2811 177.0442 712 T 3.7803 7.9915 117.8403 66.5687 68.3753 176.7463 713 L 3.7318 7.6866 120.9020 57.4098 41.5420 179.4516 714 K 3.7541 7.7414 119.2424 59.6097 32.1029 179.0050 715 I 3.7239 7.7848 120.0387 64.1916 36.9356 178.4712 716 I 3.6724 7.9257 121.0114 64.2333 36.8977 178.5171 717 K 3.9493 8.0059 119.2573 59.6844 31.7985 179.2463 718 Q 3.9911 8.0122 117.9332 59.1820 28.4257 179.1493 719 A 3.9771 7.9964 120.5584 54.9708 18.7245 179.5476 720 I 3.8982 8.0391 118.5918 64.5890 37.2771 178.6384 721 L 4.0890 8.3259 119.7171 57.6385 41.1872 179.2929 722 A 4.1010 8.1972 120.6153 55.0061 18.3165 178.9532 723 T 4.2202 7.4493 106.0602 61.9474 69.3575 174.4245 724 D 4.4824 7.9390 123.5471 54.2772 40.9445 176.7486 725 L 4.0803 8.8114 126.9104 58.1778 42.0807 178.5402 726 A 4.0313 8.0972 120.2743 55.1210 18.3947 179.3827 727 L 4.0283 8.0239 117.5121 57.6651 41.7316 178.8401 728 Y 4.0614 7.9681 119.1283 60.9366 38.5878 178.2381 729 I 3.2692 7.6551 119.3033 63.9133 37.1938 178.0754 730 K 3.9987 7.7474 119.7803 58.9793 31.8442 178.3151 731 R 4.3251 7.6489 116.6758 56.8688 30.7653 178.7274 732 R 3.5792 7.4965 116.7617 58.6717 29.1177 178.8272 733 G 3.6596 7.7674 106.0182 47.7752 0.0000 174.8595 734 E 3.9445 7.7052 120.8562 58.7963 29.7010 178.5616 735 F 4.3454 8.0487 120.0182 61.6657 39.5488 176.9632 736 F 4.2815 8.3314 117.6830 60.4269 38.7135 177.4418 737 E 3.9455 8.4354 119.0897 59.1679 29.5267 178.5814 738 L 4.0412 7.9746 119.0428 58.0954 41.5007 179.7784 739 I 3.6849 7.2731 118.2056 64.2467 37.1225 178.0790 740 R 3.9186 7.7760 118.4518 59.1382 30.3713 178.6592 741 K 4.6953 8.1049 120.4771 55.5536 31.3727 179.0571 742 N 4.8883 8.4761 119.7117 53.2110 39.2401 174.5062 743 Q 4.4787 8.1381 115.5262 55.4465 29.8790 176.4126 744 F 4.5196 8.0163 121.6226 58.1552 40.2071 174.0411 745 N 4.3368 8.7387 126.6158 51.9409 40.5190 174.8430 746 L 3.9556 7.9379 126.9189 56.9413 42.1448 178.4532 747 E 4.0399 8.2975 116.7829 59.2874 29.3565 177.7725 748 D 4.6271 7.5821 119.6565 51.3960 41.6842 175.2270 749 P 4.2040 0.0000 0.0000 66.2668 31.3526 178.3088 750 H 4.1612 8.1319 116.1725 59.5347 30.0613 177.3388 751 Q 4.2012 8.1156 119.7118 58.3446 28.4014 178.8123 752 K 4.0507 8.0816 121.1829 59.6721 32.3830 178.6950 753 E 3.9617 8.0778 118.7043 59.3251 29.3370 179.2141 754 L 3.8611 7.8937 120.4084 57.9734 42.1743 178.8435 755 F 3.9233 8.3211 120.6903 61.2269 39.3942 177.0406 756 L 3.6897 8.1332 118.4621 57.6457 41.3331 179.5242 757 A 3.8747 7.6802 120.5744 55.3709 18.3355 179.6009 758 M 3.8599 7.7193 117.2206 58.2830 31.8670 178.8159 759 L 3.7339 7.4426 120.5239 58.0694 42.0789 178.8501 760 M 3.9416 7.7865 118.7129 58.6816 31.8899 178.8377 761 T 3.6373 7.7002 115.5044 66.5182 68.3397 176.5463 762 A 3.7370 7.6433 121.4270 55.3217 18.5370 179.2236 763 C 4.2878 8.2061 115.2848 62.9320 27.9906 175.7598 764 D 4.3534 8.1867 119.0219 56.6975 41.1199 177.3253 765 L 4.5410 7.8130 117.4725 54.6952 42.0690 178.1691 766 S 4.3974 8.2488 116.8595 59.6654 63.0079 175.6694 767 A 4.0263 8.3082 124.9318 55.6789 17.5210 178.9509 768 I 3.9954 8.2422 116.4347 63.2998 38.1965 177.0254 769 T 4.2859 7.8330 109.4059 61.1832 69.1183 174.8926 770 K 4.4671 7.1363 121.0441 55.3117 33.1595 175.5544 771 P 4.3581 0.0000 0.0000 62.6148 33.0425 177.0698 772 W 4.6905 8.9681 130.9934 60.7984 30.4002 176.7734 773 P 3.7460 0.0000 0.0000 65.1665 30.6067 178.8289 774 I 3.6200 7.4454 118.3850 64.1665 37.1447 177.9249 775 Q 3.9801 7.8228 120.1876 59.1827 28.9447 177.8516 776 Q 3.6573 7.3494 120.8017 59.0769 28.8578 178.2217 777 R 3.7882 7.2665 119.4630 59.6469 30.0321 178.3006 778 I 3.8619 8.1378 119.3023 64.5547 37.1144 178.3197 779 A 4.0676 8.4085 121.6552 55.2535 18.2003 179.5620 780 E 4.0218 8.5013 117.1375 59.4837 29.5143 179.6616 781 L 4.0451 8.1133 119.0658 57.7762 41.7988 179.6425 782 V 3.8180 8.5064 119.7203 65.3721 31.3634 177.8909 783 A 4.2503 8.1540 121.8741 55.0812 18.2901 179.7177 784 T 4.0027 8.2491 114.2876 66.9715 68.0145 176.6947 785 E 4.0402 8.7904 120.9197 59.1677 29.1656 179.2751 786 F 4.1644 8.1809 120.4482 61.3195 39.4382 177.7330 787 F 4.4118 8.5648 116.0424 59.3441 38.7708 175.6595 788 D 5.0315 7.9072 118.4774 54.0157 41.3221 176.6561 789 Q 4.1515 7.5238 114.2683 56.9071 28.4414 176.7197 *804 L 4.2890 7.8324 119.7002 55.7769 42.2197 178.2589 805 M 3.9275 8.2204 118.1270 59.2192 30.6280 178.2406 806 N 4.3990 8.0734 117.5934 55.1719 38.8121 177.4753 807 R 3.9077 7.9600 119.1149 59.5769 30.0510 178.5197 808 E 3.8868 7.8028 116.5869 59.4035 29.7739 179.4201 809 K 3.6796 7.5740 118.9186 59.4764 32.3262 179.1663 810 K 4.0598 8.3345 119.0147 59.5538 31.7554 179.1783 811 N 4.4857 8.1754 115.8722 55.8746 38.8103 177.2792 812 K 4.1029 7.9459 120.0930 59.0294 32.0293 179.4137 813 I 3.5319 7.5151 120.0740 63.7564 36.9349 176.3842 814 P 4.1739 0.0000 0.0000 66.0114 31.2569 178.8621 815 S 4.1361 7.9584 113.1259 61.4176 62.7907 176.4044 816 M 3.9296 7.7245 121.1785 58.5912 31.6539 178.8763 817 Q 3.8433 7.7110 118.0018 58.7994 28.7359 178.8509 818 V 3.7724 8.0174 119.6763 66.0194 31.5426 178.3615 819 G 3.6024 8.2279 105.5080 47.7218 0.0000 175.5483 820 F 4.1902 8.3419 123.0921 60.9140 39.3498 177.4050 821 I 3.7486 8.2918 119.9094 64.5525 36.7542 178.1429 822 D 4.3188 8.0488 118.0060 57.4328 40.7574 178.4831 823 A 4.1722 7.9818 119.9878 54.1408 18.5014 178.4972 824 I 4.3101 7.4395 115.5080 62.5860 39.4887 177.3056 825 C 4.1851 7.5441 116.1938 61.8624 28.7618 175.4937 826 L 3.9787 7.9260 121.9568 58.5163 41.6761 178.9307 827 Q 3.8834 7.9608 118.7375 58.7949 28.8499 177.7606 828 L 4.1868 7.7809 121.0394 58.5357 41.9694 178.4655 829 Y 4.2064 7.7171 116.5433 60.6587 37.6706 177.9620 830 E 4.0090 8.3337 119.5986 59.4698 29.4986 179.2416 831 A 3.9271 7.9744 120.6610 55.0467 18.3343 179.3985 832 L 4.1665 8.4108 119.1605 58.7742 41.8206 179.4202 833 T 4.1574 8.0457 115.6582 66.8712 68.1007 176.4869 834 H 4.2442 7.8562 117.4170 58.6433 28.7304 177.7299 835 V 4.0557 7.4145 119.6749 64.3688 31.6984 176.1301 836 S 4.4905 8.3874 114.4968 56.3297 64.4906 173.8935 837 E 4.2248 8.8247 129.1335 58.6459 29.9529 177.9774 838 D 4.6957 8.1553 117.2516 56.2300 41.3258 176.8537 839 C 4.4640 8.3560 117.1683 59.7030 28.0676 174.6104 840 F 4.0602 8.0790 124.9642 61.3239 38.8039 175.4126 841 P 3.8710 0.0000 0.0000 65.1696 31.0136 178.6255 842 L 3.4245 7.0494 117.9956 57.2742 41.3516 179.1129 843 L 3.7503 7.3079 119.6213 58.0991 42.1201 178.0954 844 D 4.1046 7.3228 118.2250 57.3302 41.0037 178.6336 845 G 3.8000 7.8463 107.4455 47.2403 0.0000 175.1424 846 C 4.3391 7.7554 122.3978 61.8601 31.5935 175.9103 847 R 3.9562 8.1600 119.8303 59.3187 29.6320 179.2937 848 K 3.9897 8.2084 118.2763 59.4139 32.0256 179.2684 849 N 4.4258 8.3170 116.9942 56.0711 38.3946 177.4316 850 R 4.0824 8.2150 120.2602 59.5144 30.1881 178.4450 851 Q 3.9489 7.9667 117.7435 59.0045 28.8188 179.2307 852 K 3.3784 7.6381 119.1019 59.1187 31.7885 179.5822 853 W 4.4845 8.3121 119.5588 59.8012 29.0162 178.4217 854 Q 4.0019 8.6940 119.8765 59.1520 28.4907 178.1866 855 A 4.0193 8.0196 121.8931 55.0595 18.4867 179.6557 856 L 4.0284 8.0028 117.3279 57.8214 41.5269 179.5165 857 A 4.1239 8.5174 121.0903 54.9520 18.0332 179.4209 858 E 4.1183 7.8730 115.9875 59.2279 29.9622 178.6827 859 Q 4.1098 8.2051 119.2300 58.6262 28.8728 177.7625 860 Q 4.1453 7.8118 117.7669 58.1470 29.0538 177.2211 861 E 4.0862 7.7094 116.2152 56.4052 29.5605 177.0100 862 K 4.2126 7.5241 124.1609 56.9020 32.7872 175.3183 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 534 E 8.30 4.30 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 535 E 8.58 3.68 0.00 2.07 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 2.34 0.00 536 E 7.94 3.94 0.00 2.11 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 2.34 2.37 0.00 537 T 7.85 3.90 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 1.20 0.00 0.00 538 R 7.52 3.89 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 539 E 7.82 3.91 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 2.27 2.28 0.00 540 L 7.52 3.87 0.00 1.72 1.77 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 541 Q 7.83 3.97 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 542 S 7.69 4.09 0.00 4.02 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 0.00 543 L 7.88 4.07 0.00 1.91 1.63 0.87 1.06 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 0.00 544 A 8.17 4.09 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 0.00 0.00 0.00 0.00 0.00 545 A 7.74 4.33 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 0.00 546 A 7.01 4.19 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 0.00 547 V 8.19 3.59 2.10 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 0.81 0.00 0.00 0.94 0.00 0.00 548 V 8.22 4.02 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 0.92 0.00 0.00 1.00 0.00 0.00 549 P 0.00 4.51 0.00 2.11 2.00 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 550 S 8.37 4.39 0.00 4.08 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 0.00 551 A 8.56 3.92 1.52 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 0.00 0.00 552 Q 8.14 3.95 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 553 T 7.72 4.05 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 554 L 8.10 4.31 0.00 1.74 1.79 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 555 K 7.99 4.10 0.00 2.28 2.07 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 556 I 7.17 3.50 1.35 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.34 nan 0.00 0.00 557 T 7.87 4.16 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 1.14 0.00 0.00 558 D 7.90 4.60 0.00 3.03 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 0.00 559 F 8.68 4.38 0.00 3.10 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 0.00 560 S 8.22 4.44 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 F 7.59 3.94 0.00 3.04 3.15 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 0.00 562 S 7.21 4.34 0.00 3.82 3.59 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 0.00 563 D 7.41 4.88 0.00 3.22 3.56 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 0.00 564 F 7.48 3.81 0.00 2.99 3.17 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 0.00 565 E 8.05 4.34 0.00 1.96 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 2.33 2.27 0.00 566 L 7.44 4.44 0.00 1.65 1.60 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 567 S 8.78 4.49 0.00 4.06 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 0.00 568 D 8.49 4.39 0.00 2.66 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 0.00 569 L 7.86 3.91 0.00 1.72 1.65 0.91 0.98 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 0.00 570 E 8.26 4.03 0.00 2.22 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 2.36 2.34 0.00 571 T 7.95 3.34 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 0.91 0.00 0.00 572 A 8.16 4.15 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 0.00 573 L 8.11 4.02 0.00 1.92 1.77 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 574 C 8.45 4.16 0.00 3.44 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 0.00 575 T 8.28 4.18 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 576 I 8.10 3.89 2.09 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 1.45 0.86 1.00 0.00 0.00 577 R 8.30 3.95 0.00 1.93 2.02 0.00 3.43 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 578 M 8.04 3.54 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.79 0.00 579 F 8.33 4.14 0.00 3.37 3.15 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 0.00 580 T 8.06 4.03 4.46 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 1.28 0.00 0.00 581 D 8.39 4.72 0.00 3.02 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 L 7.68 4.46 0.00 1.75 1.74 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 583 N 8.11 4.39 0.00 2.94 2.87 0.00 0.00 7.02 6.79 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 0.00 584 L 8.28 4.34 0.00 2.16 2.08 0.83 0.99 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 0.00 585 V 8.01 3.73 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 1.19 0.00 0.00 1.05 0.00 0.00 586 Q 7.96 4.11 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 587 N 8.05 4.30 0.00 2.32 2.29 0.00 0.00 6.89 7.50 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 0.00 588 F 7.63 4.88 0.00 3.33 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 0.00 589 Q 7.81 3.31 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 590 M 7.93 4.21 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 591 K 8.44 4.30 0.00 1.80 1.73 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 592 H 8.89 4.05 0.00 3.25 3.34 0.00 5.87 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 0.00 593 E 8.18 3.92 0.00 2.10 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 2.38 2.36 0.00 594 V 7.61 3.82 2.21 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 1.21 0.00 0.00 0.94 0.00 0.00 595 L 7.99 3.88 0.00 1.65 1.73 0.24 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 596 C 8.15 4.09 0.00 3.11 2.92 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 0.00 0.00 0.00 597 R 8.17 3.88 0.00 2.01 2.21 0.00 3.23 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 598 W 8.44 4.32 0.00 3.55 3.32 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 0.00 599 I 8.06 3.30 1.99 0.00 0.00 1.00 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 1.24 0.83 0.00 0.00 600 L 7.77 3.74 0.00 1.71 1.55 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 601 S 8.07 3.97 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 V 7.02 3.26 1.64 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 0.99 0.00 0.00 -0.08 0.00 0.00 603 K 7.35 3.74 0.00 0.79 1.32 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.02 0.70 7.81 604 K 7.87 3.85 0.00 1.86 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.47 7.81 605 N 7.87 4.45 0.00 2.71 2.67 0.00 0.00 7.11 7.17 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 0.00 606 Y 7.76 4.34 0.00 3.29 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 0.00 607 R 7.64 3.94 0.00 1.92 1.99 0.00 3.11 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 608 K 7.85 4.24 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.34 7.81 609 N 7.78 4.54 0.00 3.03 2.87 0.00 0.00 6.88 7.63 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 0.00 610 V 7.96 3.59 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 0.51 0.00 0.00 0.71 0.00 0.00 611 A 8.21 3.93 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 0.00 612 Y 7.36 4.36 0.00 2.73 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 H 8.18 5.21 0.00 3.09 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 N 7.58 4.87 0.00 2.97 3.12 0.00 0.00 6.65 8.73 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 0.00 615 W 8.46 3.53 0.00 3.32 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 0.00 616 R 7.87 3.58 0.00 1.89 1.93 0.00 3.43 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 617 H 8.50 4.01 0.00 3.21 3.39 0.00 5.78 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 0.00 618 A 7.46 3.81 1.13 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 0.00 0.00 619 F 7.62 3.57 0.00 1.51 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 0.00 620 N 8.04 3.95 0.00 2.83 2.78 0.00 0.00 7.08 7.91 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 0.00 621 T 7.81 3.89 4.31 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 1.12 0.00 0.00 622 A 7.75 3.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 Q 7.72 3.53 0.00 1.10 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 624 C 8.07 4.10 0.00 3.13 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 0.00 625 M 7.86 3.98 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 626 F 8.35 3.94 0.00 3.05 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 0.00 627 A 8.36 3.65 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 A 8.45 4.28 1.51 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 0.00 0.00 629 L 8.09 4.03 0.00 1.59 1.59 0.87 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0.00 0.00 0.00 0.00 0.00 646 L 8.09 3.90 0.00 1.83 1.68 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 647 L 7.90 3.87 0.00 1.68 1.50 0.80 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 648 I 7.81 4.05 1.92 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 1.36 0.90 1.11 0.00 0.00 649 A 8.42 4.08 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 0.00 650 A 7.97 3.98 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 0.00 0.00 0.00 0.00 0.00 651 L 8.02 4.25 0.00 2.25 2.13 1.58 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 652 S 8.36 4.83 0.00 4.10 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 0.00 653 H 8.36 4.40 0.00 3.33 3.68 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 D 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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 0.00 0.00 0.00 0.00 0.00 0.00 677 C 6.45 3.45 0.00 1.67 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 0.00 0.00 0.00 0.00 678 H 8.73 4.26 0.00 3.36 3.54 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 S 7.74 4.24 0.00 3.82 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 0.00 680 I 8.44 3.87 1.91 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 1.48 0.72 0.94 0.00 0.00 681 M 8.14 4.35 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 682 E 7.83 4.16 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 683 H 8.29 4.99 0.00 3.07 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 H 9.19 4.71 0.00 3.15 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.94 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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 0.00 0.00 0.00 0.00 0.00 0.00 823 A 7.98 4.17 1.31 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 0.00 0.00 824 I 7.44 4.31 1.00 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 1.18 0.40 0.44 0.00 0.00 825 C 7.54 4.19 0.00 3.14 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 0.00 826 L 7.93 3.98 0.00 1.98 1.66 0.95 0.57 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 0.00 827 Q 7.96 3.88 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 828 L 7.78 4.19 0.00 1.96 1.52 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 829 Y 7.72 4.21 0.00 3.13 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 0.00 830 E 8.33 4.01 0.00 2.08 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 2.32 2.44 0.00 831 A 7.97 3.93 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 0.00 832 L 8.41 4.17 0.00 2.02 1.99 1.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 833 T 8.05 4.16 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 1.33 0.00 0.00 834 H 7.86 4.24 0.00 3.23 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 V 7.41 4.06 2.39 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 0.73 0.00 0.00 0.90 0.00 0.00 836 S 8.39 4.49 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 E 8.82 4.22 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 838 D 8.16 4.70 0.00 2.94 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 0.00 839 C 8.36 4.46 0.00 3.20 2.94 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 0.00 840 F 8.08 4.06 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 841 P 0.00 3.87 0.00 1.98 2.09 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 842 L 7.05 3.42 0.00 1.42 0.83 0.85 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 843 L 7.31 3.75 0.00 1.68 1.53 0.93 1.19 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 0.00 844 D 7.32 4.10 0.00 1.58 2.30 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 0.00 845 G 7.85 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 0.00 0.00 0.00 846 C 7.76 4.34 0.00 2.90 3.03 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 0.00 847 R 8.16 3.96 0.00 2.00 1.94 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 848 K 8.21 3.99 0.00 1.78 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.57 7.81 849 N 8.32 4.43 0.00 3.07 3.23 0.00 0.00 6.61 7.73 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 0.00 850 R 8.21 4.08 0.00 2.10 2.11 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 851 Q 7.97 3.95 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 852 K 7.64 3.38 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.62 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.02 0.74 7.81 853 W 8.31 4.48 0.00 3.35 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 Q 8.69 4.00 0.00 2.28 2.29 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 2.37 2.55 0.00 855 A 8.02 4.02 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 0.00 856 L 8.00 4.03 0.00 2.13 1.94 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 857 A 8.52 4.12 1.44 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 0.00 0.00 0.00 858 E 7.87 4.12 0.00 1.98 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 2.34 2.46 0.00 859 Q 8.21 4.11 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 860 Q 7.81 4.15 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 861 E 7.71 4.09 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 2.35 2.45 0.00 862 K 7.52 4.21 0.00 1.88 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.