NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 576 A 4.2119 8.2649 123.5840 51.8178 19.7307 176.5990 577 N 4.3896 8.7806 121.2353 52.7927 37.8599 172.1792 578 R 4.9396 8.3471 124.6361 54.0122 34.4366 174.0985 579 W 4.7459 8.7579 127.5098 56.1426 32.7354 175.9102 580 V 4.2580 7.0070 123.7293 60.1352 35.0058 172.5574 581 P 4.2789 0.0000 0.0000 62.2383 31.3285 179.9418 582 K 3.9987 8.2767 132.2589 55.6085 35.9973 176.7121 *598 T 4.3439 8.6549 105.0759 62.4259 70.5407 174.1129 599 E 4.6319 7.9951 120.4442 53.7285 31.9905 174.1749 600 L 4.9089 8.2034 125.3754 53.2353 45.1267 175.4386 601 L 4.9428 8.2812 120.3951 51.4556 45.5097 176.9938 602 D 4.7307 8.6696 123.4077 52.0747 42.2481 177.3129 603 K 3.8363 8.5672 118.1464 59.8744 31.8601 178.8470 604 D 4.2838 8.0044 117.2219 57.5904 40.8720 177.8619 605 E 4.0197 8.0313 118.5552 59.3754 29.3800 179.7310 606 V 3.6239 8.0486 118.4415 66.0199 31.5544 178.0206 607 E 4.1627 8.2342 118.3650 59.4723 29.3199 179.6226 608 R 3.9420 8.4134 118.5192 59.3080 30.1706 179.3520 609 K 4.0607 8.1270 118.2941 59.6370 31.9874 179.4467 610 M 4.1113 8.1696 119.1588 57.9732 31.8181 178.7041 611 K 3.8500 8.2978 119.0447 59.6543 32.0913 178.9802 612 S 4.0795 7.6042 111.1714 61.6514 62.4755 176.0453 613 L 4.1155 7.9311 121.4465 57.7542 41.1887 179.3376 614 L 4.2156 8.2298 117.7814 57.0654 41.6810 178.6016 615 N 4.4960 8.1262 115.7122 54.9031 38.6886 176.4491 616 K 4.4324 7.3379 117.7858 55.3680 32.8878 176.0400 617 L 3.7794 7.4841 121.1296 55.4721 42.1314 175.6849 618 T 4.5089 7.9027 114.9567 59.2555 72.0584 174.5384 619 L 4.0179 8.3717 122.8432 57.6584 42.4865 177.8083 620 E 4.1096 8.2857 118.6715 59.2955 30.0090 177.7502 621 M 4.5636 8.0686 117.3433 55.8679 32.6978 177.9472 622 F 3.9705 7.8596 121.4243 61.3760 38.9514 176.1981 623 D 4.6124 8.7104 118.8872 56.7935 40.8026 179.1153 624 A 4.0300 7.8820 120.5786 55.1219 18.5870 179.4823 625 I 3.8720 7.6310 118.3391 64.0014 37.0134 178.6760 626 S 3.9865 8.3787 115.5494 60.8749 62.8016 176.6227 627 S 4.2281 7.6236 117.1588 61.2205 62.8102 176.2987 628 E 4.0249 7.8209 120.7778 59.0958 29.3033 179.2830 629 I 3.8334 7.8689 120.1064 64.1350 37.2122 178.1943 630 L 4.0023 7.8112 120.6747 57.8546 41.6573 178.8093 631 A 4.0944 7.6259 119.5932 54.6994 18.3920 179.1783 632 I 3.9504 7.3809 117.0594 64.0824 37.1797 178.2133 633 A 4.0768 7.9685 121.1251 54.6380 18.1148 178.5340 634 N 4.6353 8.0577 113.2767 54.3700 38.8046 177.1632 635 I 3.9180 7.5691 122.6385 64.1294 37.3226 177.6543 636 S 4.5487 7.6847 113.5317 60.0628 62.3306 176.4953 637 V 3.4849 7.2043 115.6021 62.9327 31.1178 176.5269 638 W 5.1176 7.5960 117.4922 56.4337 29.4164 175.5985 639 E 4.8864 7.7449 115.9687 55.0833 33.3017 176.3704 640 T 4.1758 8.6105 117.4950 66.4230 68.9973 177.0336 641 N 5.2280 7.2130 114.8811 51.8126 39.3230 175.3872 642 G 4.1656 8.1989 105.3865 46.2315 0.0000 175.8006 643 E 4.0145 8.1599 118.7576 59.5379 30.0200 178.3903 644 T 3.8891 8.4757 116.7838 66.2113 68.5484 176.3438 645 L 4.0186 7.9151 122.1149 58.2678 42.1154 179.0040 646 K 4.0041 8.1950 117.6351 59.6578 31.8799 179.1457 647 A 3.9955 7.8072 120.9436 54.9508 18.3698 179.7127 648 V 3.5596 7.9134 116.8025 66.4174 31.7249 178.3088 649 I 3.8783 7.8940 119.4258 64.2663 36.9224 178.0305 650 E 3.8556 8.0665 120.0431 59.5788 29.4744 179.0041 651 Q 4.0246 8.4094 118.3142 58.8739 28.6236 178.8512 652 I 3.5421 7.7992 120.7878 64.3101 37.2917 178.3899 653 F 3.5178 8.3377 118.2328 60.4749 38.5600 177.6130 654 L 3.9757 7.8102 117.1563 57.6922 41.6698 179.5785 655 K 3.8581 8.0923 118.2806 59.4254 31.7933 179.3755 656 A 3.8245 7.2133 119.3508 54.6398 18.1808 178.6496 657 C 4.2343 7.7242 114.1820 61.1442 28.3673 174.7997 658 D 4.7786 7.6965 118.5535 53.9784 42.6914 176.5827 659 E 4.8011 7.5508 118.3145 53.8383 30.5411 174.1674 660 P 4.4956 0.0000 0.0000 64.7340 32.1404 178.5169 661 H 4.0477 8.1096 116.6477 57.7671 29.9496 175.5039 662 W 4.7981 8.2183 117.8361 56.3648 29.6295 177.1718 663 S 4.4598 8.2089 118.2262 62.1546 62.2017 176.9581 664 S 3.3078 7.1617 116.1036 61.0383 62.6010 176.2001 665 M 3.9249 7.6045 121.2635 58.7741 32.2760 177.5351 666 Y 4.4007 8.0422 116.8426 61.2376 37.9752 178.7459 667 A 4.2741 8.4694 121.7570 55.4089 18.5154 179.7511 668 Q 4.0956 8.0951 116.2027 58.8068 28.7329 178.5051 669 L 4.0895 8.2409 121.7380 58.4294 42.0826 178.9120 670 C 4.4128 8.2880 116.4671 62.7237 28.0013 176.1785 671 G 3.7145 8.2291 107.4647 47.6507 0.0000 175.7129 672 K 4.0274 8.3715 121.8694 59.2628 31.7793 179.0974 673 V 3.5840 7.8110 118.6142 66.0604 31.2076 178.1774 674 V 3.6089 7.7436 116.8675 65.9034 31.4605 177.5928 675 K 4.2054 7.7367 118.0232 58.1914 32.0821 177.1812 676 E 4.6233 8.0679 116.5178 55.6617 30.1184 175.8203 677 L 4.0273 7.3514 119.9959 54.4120 42.8678 176.2673 678 N 4.3448 9.0414 123.2657 53.0500 38.7406 174.2336 679 P 4.3183 0.0000 0.0000 65.1689 31.5578 177.0892 680 D 4.5091 8.0618 116.4247 54.7691 40.8547 176.3531 681 I 3.8820 7.6372 122.9629 60.9005 37.5981 175.0345 682 T 4.7177 8.2660 115.1494 59.5931 71.4087 172.8911 683 D 4.9822 8.4599 124.7839 53.2685 43.5405 176.6185 684 E 4.5635 8.7266 122.7414 56.5938 29.2194 173.7982 685 T 4.5746 8.0249 106.6178 62.1760 70.1576 173.7036 *689 K 4.0580 7.8457 120.7629 56.7645 33.1014 174.7362 690 T 4.6598 7.8083 111.3405 60.0024 72.8607 176.1241 691 G 3.6458 7.6407 107.6890 46.2953 0.0000 174.5476 692 P 4.2857 0.0000 0.0000 65.5235 30.7625 178.0151 693 K 3.8347 8.1754 116.6325 59.3126 31.8056 178.9879 694 L 3.9537 7.5356 120.3552 58.1437 42.0448 179.1003 695 V 3.3821 7.4330 117.6733 65.6590 31.4656 177.7299 696 L 4.0416 8.1686 119.1125 58.1457 41.4188 178.9949 697 H 4.2312 8.0400 116.9236 59.3177 29.8168 176.7142 698 Y 4.0829 8.5018 118.6354 61.2233 37.7793 178.5089 699 L 4.0722 8.4605 120.0726 58.0664 41.8458 179.9039 700 V 3.5826 7.8922 117.5338 65.9236 31.4069 177.7953 701 A 3.9681 8.1707 120.7471 55.3573 18.2682 179.6486 702 R 3.5909 8.2973 117.3088 59.3965 29.8921 178.5204 703 C 4.3823 7.9337 116.7939 63.1531 28.1776 175.2662 704 H 4.1502 8.2777 117.4393 59.2729 28.0960 177.2440 705 A 4.0323 8.3065 122.2585 55.5825 18.0191 179.4863 706 E 4.1003 8.1380 115.8630 59.5153 29.8761 179.3053 707 F 4.3974 8.9982 121.1367 61.3848 39.2973 177.0905 708 D 4.5113 8.6321 117.9657 57.0056 40.6112 178.3383 709 K 4.0365 7.6591 117.5078 57.2572 32.2799 178.3756 710 G 3.6273 7.9475 108.4275 44.8669 0.0000 171.5739 711 W 4.5587 7.1484 114.1527 56.2979 30.0761 173.2698 712 T 4.5856 8.4386 108.3640 59.9177 70.5919 173.7974 713 D 4.4616 8.6081 123.0427 57.0271 41.6726 176.9798 714 K 4.0526 8.0854 124.8646 57.1532 31.6901 176.8851 715 L 4.6925 8.3504 126.9529 52.1060 43.2072 170.7939 716 P 4.0926 0.0000 0.0000 65.1347 30.0082 175.8932 *729 M 4.3224 8.3821 113.4096 55.1103 33.7397 176.6304 730 S 4.5283 7.9957 110.9839 60.3475 66.1029 174.0093 731 E 4.1251 8.5368 119.5652 58.3106 29.2544 173.6355 732 E 4.2328 8.7602 122.1270 60.9774 30.6157 180.0706 733 Y 4.3172 8.2605 120.2918 62.2607 38.8195 178.1902 *734 Y 4.0260 8.1274 121.1434 61.2597 36.8094 180.7247 735 A 4.3068 7.7303 119.9965 55.2942 18.6639 179.3939 736 A 3.8837 8.0881 118.7300 54.7296 18.3340 179.6420 737 A 3.8475 7.6097 119.7229 55.0793 18.4935 180.0172 738 S 4.0076 7.5719 112.1981 61.4805 62.9127 176.5797 739 A 3.9924 8.1887 123.8328 55.0352 18.0825 179.6672 740 K 3.5418 7.6541 116.9407 59.3147 32.1926 179.1056 741 R 3.7149 7.6819 119.0393 59.5626 30.0567 178.7823 742 R 4.3277 7.9650 119.4065 58.0381 30.0343 179.3763 743 G 2.4368 7.4456 105.8554 47.4381 0.0000 175.9715 744 L 3.8283 7.5689 122.3704 56.8682 41.5264 179.7715 745 G 3.5879 8.1016 106.2938 47.4358 0.0000 175.6417 746 L 4.0041 7.5954 122.4573 58.2987 41.8344 179.4731 747 V 3.8942 7.6329 112.1681 64.2570 31.2256 178.7218 748 R 3.7510 7.8345 118.2029 59.3433 30.0102 178.2798 749 F 4.5400 8.2101 120.5026 61.3474 39.3027 177.0538 750 I 3.6157 8.3886 120.1391 64.1663 36.8804 178.4926 751 G 3.3980 7.4201 105.8878 47.9454 0.0000 175.8197 752 F 4.4130 7.5976 120.2736 60.0074 38.7693 177.9325 753 L 3.9358 7.7883 118.9463 57.8308 41.4896 178.8050 754 Y 4.0137 8.4485 119.9887 60.6604 38.4782 178.0738 755 R 4.6939 7.9520 120.2091 58.6435 30.2673 177.5596 756 L 4.3009 7.3650 115.0693 53.9490 41.7790 176.3155 757 N 4.0732 7.6071 115.1083 54.4420 36.3908 175.0386 758 L 4.4493 8.0565 117.4372 55.1152 42.4065 176.7823 759 L 4.9094 7.4323 117.4806 52.9099 45.2680 175.9672 760 T 4.5395 8.2625 111.0566 60.4301 70.6561 176.0740 761 G 4.1936 9.0607 109.5030 47.2183 0.0000 175.7927 762 K 4.1220 8.3064 120.7621 60.3865 32.5012 178.7037 763 M 3.9943 7.9281 117.9507 58.2681 32.0721 177.9256 764 M 3.7439 7.9539 118.1651 58.2374 32.3681 177.9668 765 F 4.1120 8.9589 118.4674 60.7678 39.2341 177.1436 766 E 3.9019 8.2075 118.5387 59.3736 29.2267 178.5587 767 C 4.0369 7.6675 118.3270 62.5724 31.6811 175.5284 768 F 4.1074 7.9740 119.4981 60.3254 38.4800 177.4261 769 R 3.9599 8.8231 118.8488 59.7660 29.6687 178.5251 770 R 3.9248 8.2092 118.1694 59.4398 29.8614 178.4895 771 L 4.0952 7.8728 117.9754 57.9812 41.8314 179.0763 772 M 4.2334 8.5910 119.1604 58.3209 31.7156 178.6494 773 K 3.9138 7.8208 118.4458 59.1001 32.3786 177.2532 774 D 4.6786 7.4560 115.3304 54.0317 41.3262 176.0331 775 L 4.5482 8.0075 119.1506 55.5675 43.0057 176.5699 776 T 4.5293 7.8884 106.1268 62.1407 69.5713 174.4162 777 D 4.8607 7.6411 120.3036 54.7651 41.1474 176.7962 778 S 3.6536 7.9356 112.2402 58.4606 61.9075 170.9333 779 P 4.5338 0.0000 0.0000 63.1349 32.5353 177.5090 780 S 4.4766 9.0553 117.6377 58.0686 65.2053 175.4891 781 E 4.0551 8.5957 121.4346 59.3275 29.1867 179.4264 782 E 3.9652 8.1285 118.5634 59.4697 29.5214 179.3116 783 T 3.8608 7.7901 115.3667 66.6972 68.6259 176.5999 784 L 3.9594 7.7251 120.4342 57.8704 41.6376 179.1977 785 E 3.9128 8.3613 119.1559 59.4474 29.5365 178.8788 786 S 4.0424 7.9625 113.0539 61.3951 62.4209 176.3189 787 V 3.5615 7.9750 121.0445 65.7504 31.2075 178.1328 788 V 3.5792 7.8155 117.9859 66.2318 31.2703 177.7907 789 E 3.9619 8.1462 118.2601 59.3525 29.2722 179.2316 790 L 3.7930 8.0448 120.3286 58.1647 42.1570 179.1171 791 L 4.2075 8.2017 118.9586 57.8160 41.3552 179.0190 792 N 4.6945 8.3976 115.2911 55.6223 38.5636 176.7050 793 T 4.3033 7.2767 116.2433 64.5144 69.5613 175.6397 794 V 4.3761 7.8181 117.7248 61.6897 33.3825 177.1781 795 G 3.5732 7.7141 106.0674 48.1439 0.0000 174.7686 796 E 2.7294 6.4613 121.2117 58.2183 29.6359 178.5977 797 Q 3.9183 7.7550 118.9579 59.2169 28.9598 177.7604 798 F 4.8424 8.5469 121.8074 59.8927 39.4537 176.0597 799 E 4.2584 7.7199 118.6901 57.8600 29.4124 176.2269 800 T 4.3609 6.8513 106.7962 60.2146 69.5509 172.4908 801 D 4.3600 8.0573 125.5277 53.7008 43.8283 175.1875 802 S 4.2492 8.8628 124.4723 59.5056 60.8897 174.2926 *811 E 4.4162 8.4762 120.4625 54.7522 31.9177 175.8805 812 G 3.7419 8.1175 109.1563 48.8110 0.0000 177.3708 813 S 4.2944 7.7775 121.3452 62.7994 62.4985 177.9391 814 Q 4.9434 7.9641 120.8938 57.4797 28.5393 178.0474 815 L 4.1689 7.8363 122.2652 57.9261 42.2575 178.6613 816 L 4.1586 7.9216 118.3841 57.5272 41.6278 179.0490 817 D 4.3984 7.9691 118.9147 57.6693 40.9398 179.0161 818 S 4.2268 7.7641 114.7197 61.1904 62.8728 176.6110 819 L 3.9239 7.8874 123.1198 58.3827 41.8995 179.1901 820 F 4.1049 9.0821 118.0125 60.0783 38.8274 178.0286 821 G 3.6164 8.1796 105.6382 47.9036 0.0000 175.9207 822 I 3.7924 7.7344 122.0414 63.9042 37.0155 178.6692 823 L 3.9576 7.7479 119.7056 57.8341 41.4642 178.9240 824 D 4.3934 8.3281 119.0889 57.4940 40.3757 178.6507 825 N 4.2665 8.0758 117.0267 56.7658 39.2105 176.7547 826 I 3.7971 7.8149 119.1908 63.2598 37.7795 177.5732 827 I 3.9996 7.6095 120.0150 63.5767 37.3183 177.0036 828 Q 4.5085 7.6417 115.6321 55.9550 28.9425 176.0204 829 T 4.4562 7.5504 107.4272 62.8240 72.4636 174.8287 830 A 4.1003 7.4032 122.4642 51.6151 18.8492 177.7424 831 K 4.2628 8.2980 123.2503 54.7058 30.8490 175.7055 832 I 4.5765 7.4503 116.2918 57.6531 40.7015 177.0516 833 S 4.2566 8.3374 116.6095 58.6313 64.6936 175.6644 834 S 3.8098 8.5451 119.2973 61.6747 62.4473 177.0101 835 R 4.0911 7.9237 120.8126 59.6469 29.9036 178.5338 836 I 3.7244 7.5468 119.2625 64.2654 37.0915 178.2979 837 K 3.8297 7.9773 120.4304 59.4526 31.7971 178.9103 838 F 4.4547 7.9097 118.1787 60.4354 38.9374 177.7349 839 K 4.0235 8.0091 117.9938 59.5372 31.9676 179.4093 840 L 4.0153 8.1176 119.1855 57.9286 41.5440 179.6883 841 I 3.8168 7.8649 119.7958 64.2908 36.9721 178.3155 842 D 4.3729 8.4665 120.2399 57.4454 40.7752 178.9259 843 I 4.0315 7.7520 112.8594 63.4743 37.6066 178.2194 844 K 4.2291 8.0437 121.5231 59.5705 32.0691 178.4466 845 E 3.9216 8.2522 119.7199 58.9512 29.4793 178.3329 846 L 3.7718 8.1911 120.9867 57.8962 41.9325 178.9961 847 R 2.5100 7.2759 118.2662 58.9037 29.8179 177.8806 848 H 3.8690 7.5483 116.3315 59.7758 28.9357 176.2961 849 D 4.4478 8.0965 120.9284 56.5204 40.6671 178.9654 850 K 4.0144 7.7019 120.2359 57.5822 33.0569 176.6499 851 N 4.0101 7.7708 115.6819 53.7111 37.1613 175.0831 852 W 3.9037 8.3730 117.4102 57.9433 28.4652 175.6333 853 N 4.6944 7.8831 120.6292 52.2981 37.5402 179.4970 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 576 A 8.26 4.21 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 0.00 577 N 8.78 4.39 0.00 2.83 2.85 0.00 0.00 6.90 6.78 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 0.00 578 R 8.35 4.94 0.00 1.80 1.94 0.00 3.21 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 579 W 8.76 4.75 0.00 3.20 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 0.00 580 V 7.01 4.26 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 0.73 0.00 0.00 0.83 0.00 0.00 581 P 0.00 4.28 0.00 1.98 1.07 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 582 K 8.28 4.00 0.00 1.72 1.37 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 0.94 7.81 *598 T 8.65 4.34 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 1.18 0.00 0.00 599 E 8.00 4.63 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 600 L 8.20 4.91 0.00 1.58 1.49 0.92 0.94 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 0.00 601 L 8.28 4.94 0.00 1.64 1.51 0.94 1.21 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 0.00 602 D 8.67 4.73 0.00 2.87 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 0.00 603 K 8.57 3.84 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.53 7.81 604 D 8.00 4.28 0.00 2.74 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 0.00 605 E 8.03 4.02 0.00 2.32 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 2.33 2.37 0.00 606 V 8.05 3.62 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 1.05 0.00 0.00 1.01 0.00 0.00 607 E 8.23 4.16 0.00 2.22 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 2.34 2.59 0.00 608 R 8.41 3.94 0.00 1.84 2.00 0.00 3.39 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.07 0.00 609 K 8.13 4.06 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 610 M 8.17 4.11 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 611 K 8.30 3.85 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 612 S 7.60 4.08 0.00 3.88 4.06 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 0.00 613 L 7.93 4.12 0.00 1.73 1.66 0.91 0.69 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 0.00 614 L 8.23 4.22 0.00 1.61 1.75 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 615 N 8.13 4.50 0.00 2.92 2.84 0.00 0.00 6.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 K 7.34 4.43 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.64 7.81 617 L 7.48 3.78 0.00 1.48 1.37 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 618 T 7.90 4.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 619 L 8.37 4.02 0.00 1.61 1.75 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 620 E 8.29 4.11 0.00 1.98 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 0.00 2.29 2.33 0.00 621 M 8.07 4.56 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 622 F 7.86 3.97 0.00 3.32 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 0.00 623 D 8.71 4.61 0.00 2.80 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 0.00 624 A 7.88 4.03 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 0.00 625 I 7.63 3.87 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.87 0.00 0.00 626 S 8.38 3.99 0.00 3.61 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 0.00 627 S 7.62 4.23 0.00 4.10 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 0.00 628 E 7.82 4.02 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 629 I 7.87 3.83 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.91 0.00 0.00 630 L 7.81 4.00 0.00 1.91 1.84 0.91 1.08 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 0.00 631 A 7.63 4.09 1.40 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 0.00 0.00 0.00 632 I 7.38 3.95 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.93 0.00 0.00 633 A 7.97 4.08 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 0.00 634 N 8.06 4.64 0.00 2.84 2.81 0.00 0.00 6.87 7.06 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 0.00 635 I 7.57 3.92 2.06 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 1.63 1.21 1.03 0.00 0.00 636 S 7.68 4.55 0.00 4.01 3.89 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 0.00 637 V 7.20 3.48 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 0.47 0.00 0.00 -0.74 0.00 0.00 638 W 7.60 5.12 0.00 3.30 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 0.00 639 E 7.74 4.89 0.00 2.12 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 2.31 2.35 0.00 640 T 8.61 4.18 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 1.23 0.00 0.00 641 N 7.21 5.23 0.00 3.08 2.83 0.00 0.00 7.14 7.53 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 0.00 642 G 8.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 E 8.16 4.01 0.00 2.19 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 0.00 2.57 2.37 0.00 644 T 8.48 3.89 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 1.30 0.00 0.00 645 L 7.92 4.02 0.00 1.82 1.95 0.93 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 646 K 8.20 4.00 0.00 2.05 1.76 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.64 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.81 1.75 7.81 647 A 7.81 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.29 1.37 7.81 656 A 7.21 3.82 0.22 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 0.00 657 C 7.72 4.23 0.00 2.93 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 0.00 658 D 7.70 4.78 0.00 2.62 2.70 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 0.00 659 E 7.55 4.80 0.00 2.39 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 2.46 2.42 0.00 660 P 0.00 4.50 0.00 2.17 2.13 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 661 H 8.11 4.05 0.00 2.72 2.52 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 W 8.22 4.80 0.00 3.48 2.49 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 0.00 663 S 8.21 4.46 0.00 4.34 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 0.00 664 S 7.16 3.31 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0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 795 G 7.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 796 E 6.46 2.73 0.00 1.16 1.50 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 2.19 2.13 0.00 797 Q 7.75 3.92 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 798 F 8.55 4.84 0.00 2.97 3.19 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 0.00 799 E 7.72 4.26 0.00 2.13 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 2.46 2.42 0.00 800 T 6.85 4.36 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 1.19 0.00 0.00 801 D 8.06 4.36 0.00 2.61 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 0.00 0.00 0.00 0.00 802 S 8.86 4.25 0.00 3.67 3.71 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 0.00 0.00 0.00 0.00 *811 E 8.48 4.42 0.00 2.01 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 2.13 1.89 0.00 812 G 8.12 3.74 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 0.00 0.00 0.00 0.00 813 S 7.78 4.29 0.00 3.75 3.89 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 0.00 814 Q 7.96 4.94 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 815 L 7.84 4.17 0.00 1.96 1.93 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 816 L 7.92 4.16 0.00 1.99 1.92 1.22 0.93 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 0.00 817 D 7.97 4.40 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 818 S 7.76 4.23 0.00 4.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 819 L 7.89 3.92 0.00 1.75 1.86 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 820 F 9.08 4.10 0.00 3.22 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 0.00 821 G 8.18 3.62 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 0.00 822 I 7.73 3.79 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.91 0.00 0.00 823 L 7.75 3.96 0.00 1.83 1.63 0.41 0.79 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 0.00 824 D 8.33 4.39 0.00 2.85 2.74 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 0.00 825 N 8.08 4.27 0.00 2.87 2.99 0.00 0.00 6.87 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 0.00 826 I 7.81 3.80 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.89 0.00 0.00 827 I 7.61 4.00 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.89 0.00 0.00 828 Q 7.64 4.51 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 829 T 7.55 4.46 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 1.27 0.00 0.00 830 A 7.40 4.10 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 0.00 831 K 8.30 4.26 0.00 1.71 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 832 I 7.45 4.58 1.83 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 1.42 0.77 0.89 0.00 0.00 833 S 8.34 4.26 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 S 8.55 3.81 0.00 3.88 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 0.00 835 R 7.92 4.09 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 836 I 7.55 3.72 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.90 0.00 0.00 837 K 7.98 3.83 0.00 1.65 1.56 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.37 7.81 838 F 7.91 4.45 0.00 3.36 2.98 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 0.00 839 K 8.01 4.02 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.71 7.81 840 L 8.12 4.02 0.00 1.82 1.70 0.89 0.55 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 0.00 841 I 7.86 3.82 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.98 0.00 0.00 842 D 8.47 4.37 0.00 2.90 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 0.00 843 I 7.75 4.03 2.08 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 1.44 0.85 1.06 0.00 0.00 844 K 8.04 4.23 0.00 2.17 2.02 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.69 1.78 7.81 845 E 8.25 3.92 0.00 2.09 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 2.26 2.55 0.00 846 L 8.19 3.77 0.00 1.84 1.67 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 847 R 7.28 2.51 0.00 0.74 1.07 0.00 2.93 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.11 0.00 848 H 7.55 3.87 0.00 3.04 3.27 0.00 5.80 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 0.00 849 D 8.10 4.45 0.00 2.86 2.56 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 0.00 850 K 7.70 4.01 0.00 1.82 1.84 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.34 7.81 851 N 7.77 4.01 0.00 2.92 2.78 0.00 0.00 7.16 7.83 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 0.00 852 W 8.37 3.90 0.00 3.47 3.43 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 0.00 853 N 7.88 4.69 0.00 2.68 2.54 0.00 0.00 6.79 8.87 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 * Residues marked with a * may have inaccurate shift predictions.