NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 629 I 4.1448 8.0249 121.4548 60.0996 38.7775 175.6538 630 P 4.1718 0.0000 0.0000 62.8089 32.5962 175.4094 631 I 3.6881 9.1294 124.6212 65.0048 37.5664 178.0907 632 C 4.2724 8.4672 116.7807 63.4611 27.6545 176.5304 633 T 4.1176 7.8305 116.0740 66.3441 68.2207 176.4882 634 L 4.1400 7.4278 119.4858 57.8039 41.8194 179.5257 635 K 4.2884 8.4601 117.0971 59.1741 32.1791 177.7886 636 N 4.5695 7.7454 113.2034 53.4773 41.2339 175.0444 637 F 5.0825 7.7382 115.5558 55.3180 38.8628 173.1960 638 P 4.4625 0.0000 0.0000 62.5031 32.4695 176.9284 639 N 5.0021 8.7566 113.0624 52.2552 39.5393 174.0355 640 A 4.6426 7.7084 121.5229 49.3574 22.4654 176.6624 641 I 3.9407 8.5368 121.0581 64.2106 37.7643 178.1248 642 E 4.0338 8.0180 117.9763 59.4652 29.4818 178.7481 643 H 4.2705 8.4705 117.5774 58.9610 28.7270 177.6312 644 T 3.8658 7.9177 116.9876 66.8783 68.3683 176.3833 645 L 4.0999 8.1267 120.6454 57.7811 41.6121 179.3589 646 Q 3.9960 8.1685 119.4550 58.9576 29.0458 178.0569 647 W 4.1870 8.5986 129.2998 60.6426 30.6656 177.5877 648 A 4.1056 8.6167 120.7743 55.3584 17.9171 179.6101 649 R 3.6898 8.2439 117.1110 59.4788 30.0571 178.4242 650 D 4.2936 8.1234 118.7984 57.2312 40.7398 178.1986 651 E 3.6360 8.2775 120.0538 59.3383 29.5947 178.3898 652 F 3.7786 8.5413 120.6063 61.6167 39.2911 177.0433 653 E 4.2180 8.3592 117.8239 59.4463 29.0971 179.5217 654 G 3.5449 8.1270 104.3363 46.6626 0.0000 174.9761 655 L 4.1572 7.4517 120.1225 55.7021 42.7387 177.8582 656 F 4.8312 7.3097 114.4801 56.9598 39.6528 175.5605 657 K 4.2891 7.5904 117.4170 57.7431 34.3829 177.5075 658 Q 3.9981 8.3989 117.5764 58.7865 28.6334 177.3843 659 P 4.1925 0.0000 0.0000 65.7250 31.3333 178.3409 660 A 3.7676 7.8067 118.5610 55.0651 18.3331 178.8117 661 E 3.7932 8.1890 117.7706 59.7082 29.7054 178.8089 662 N 4.2599 8.3571 116.4615 56.3981 38.4259 177.5207 663 V 3.5989 7.6782 118.5017 65.9664 31.8112 177.6436 664 N 4.3867 8.3354 116.4691 56.3434 38.3995 177.2471 665 Q 3.8486 7.8464 119.3832 59.2916 28.5995 178.5023 666 Y 3.7582 7.3112 119.1490 60.1999 38.7741 177.3510 667 L 4.1555 7.4688 116.9651 55.3480 42.0558 177.1079 668 T 4.2041 7.7922 115.3407 64.8160 69.7799 175.0627 669 D 4.8890 7.5757 118.9788 53.1262 43.2640 175.7866 670 S 4.6211 8.2198 112.9700 59.3904 64.9612 176.3457 671 K 4.1295 8.0171 120.6727 58.4413 32.4061 178.3637 672 F 4.0080 8.0870 119.6411 61.6825 39.1718 176.9129 673 V 3.6747 8.0767 116.1232 66.7120 31.5414 176.9536 674 E 4.0056 8.2337 118.6259 58.1952 29.6001 178.0438 675 R 3.8154 8.3899 118.7417 60.1749 30.2827 178.7252 676 T 3.6315 7.7200 115.2164 66.5153 68.1541 176.2895 677 L 4.0855 7.6375 120.6361 57.1762 42.0395 177.9871 678 R 4.4002 7.3845 116.7800 55.2005 30.6541 175.5017 679 L 4.3432 7.2176 120.6941 53.3411 43.7114 175.8227 680 A 3.7235 8.5084 127.1735 52.0104 17.6859 180.4810 681 G 3.8175 8.5258 110.7975 47.3426 0.0000 173.4298 682 T 4.1411 8.0853 114.2200 63.6916 68.3633 175.6922 683 Q 4.3379 7.7665 121.3430 57.8892 28.7247 177.2157 684 P 4.1756 0.0000 0.0000 65.8337 31.2734 178.3236 685 L 3.9502 7.8877 116.5584 57.9754 41.5336 178.8762 686 E 3.9428 7.7749 118.3433 60.2016 29.4542 179.5119 687 V 3.6190 8.2789 118.1390 65.9967 31.5843 177.7448 688 L 3.9794 8.4038 118.8750 58.0778 41.5283 179.4681 689 E 4.1409 8.6314 118.0731 58.4390 29.5513 178.8555 690 A 3.9971 8.0723 121.3087 55.0102 18.3858 179.6278 691 V 3.4318 7.7741 116.3179 66.2072 31.4293 177.7314 692 Q 3.8403 7.7533 118.6839 59.3635 28.8488 178.4104 693 R 4.0543 8.3938 119.9591 59.4328 29.8573 178.5034 694 S 4.4595 8.4147 115.8772 60.2371 63.0359 175.9079 695 L 4.2225 8.0834 120.8520 56.5025 41.5760 176.2566 696 V 4.1912 7.9472 115.9010 63.3923 34.2226 177.0047 697 L 4.0045 7.9716 121.0131 58.1103 41.7468 178.6749 698 Q 4.4708 8.1581 113.8186 55.4150 29.1760 175.9376 699 R 3.4695 7.5353 119.8171 55.7135 30.1715 174.4102 700 P 4.5585 0.0000 0.0000 62.5055 32.4029 175.8177 701 Q 4.4967 9.1236 118.3655 56.3444 31.0896 175.4884 702 T 4.7988 7.6022 110.4592 58.7950 71.0748 174.0263 703 W 4.6011 8.9050 133.3024 60.4783 30.6017 178.1900 704 G 3.4279 8.1460 105.3395 47.6136 0.0000 175.3041 705 D 4.3570 7.8730 120.7533 57.3946 40.7945 178.6180 706 C 4.3047 7.8273 116.9108 62.8389 28.3319 176.1107 707 V 3.2947 7.3603 119.9097 65.9381 30.8646 178.3335 708 T 3.6387 7.8604 115.6732 66.1020 68.2778 176.2778 709 W 3.8812 8.2352 130.2918 60.4174 30.5943 177.6846 710 A 3.4887 8.1759 120.4466 55.3130 17.8578 179.1219 711 C 3.8746 7.8212 116.9738 62.8670 31.4863 175.5633 712 H 4.1878 8.1495 118.0871 59.1023 28.1970 177.3111 713 H 3.8604 8.1207 120.5114 58.6478 29.4642 177.0256 714 W 4.0449 8.6648 130.7637 60.9056 30.5403 177.7204 715 H 4.2218 8.4825 116.0933 59.0156 28.0640 177.8453 716 T 3.5377 7.7854 117.6030 66.7861 68.0717 176.6184 717 Q 3.6674 7.4618 118.2836 57.8580 28.9814 177.1037 718 Y 4.2299 6.9463 115.2847 58.2905 38.2719 175.6107 719 C 4.5050 7.2106 118.0292 59.7492 34.3769 175.1428 720 N 3.5140 8.6037 116.5674 56.5839 38.3219 177.3422 721 N 4.1865 8.1749 117.7178 56.0175 38.4957 177.8512 722 I 3.5622 7.3354 120.9971 64.5115 37.1825 178.2766 723 R 3.9288 7.8490 117.5753 59.3180 30.1081 178.7219 724 Q 4.2188 8.3100 119.5850 59.0730 29.0707 177.8380 725 L 4.1691 7.9715 121.4214 58.3425 42.3046 178.8862 726 L 4.5694 8.3124 119.7273 56.7817 41.2356 178.9584 727 H 4.2228 7.9748 118.2806 59.3207 30.0159 176.6896 728 N 4.3880 8.0740 116.3853 54.6426 39.4001 175.2656 729 F 4.6579 8.3191 118.7762 54.3493 40.3785 172.3608 730 P 5.1284 0.0000 0.0000 61.0371 32.1377 175.7931 731 P 4.4203 0.0000 0.0000 65.5857 31.2710 177.1507 732 D 4.9417 8.0253 115.2487 52.9939 39.9290 175.9854 733 Q 4.1180 8.3511 121.9081 56.7489 29.5134 175.3248 734 L 5.1206 8.2477 123.9801 53.3279 44.6486 176.0168 735 T 4.4801 8.6671 118.2443 62.2629 69.9624 176.3282 736 S 4.2108 8.4688 116.3661 61.2843 63.1087 175.1841 737 S 4.3230 8.0444 113.4680 58.2209 63.0093 174.9635 738 G 3.8655 8.1153 109.3438 45.5937 0.0000 173.9588 739 A 4.3230 7.4514 122.4295 50.6646 19.4681 175.0490 740 P 4.8040 0.0000 0.0000 62.1893 32.1625 176.9896 741 F 4.0294 9.3167 126.3365 61.0391 39.7488 176.3269 742 W 4.5539 7.8414 120.9003 54.9150 27.3720 175.0467 743 S 4.6616 7.1944 112.9776 57.7924 66.8891 175.8858 744 G 3.9239 8.3518 114.8710 46.0785 0.0000 173.8743 745 P 4.4992 0.0000 0.0000 63.0752 30.9121 175.6251 746 K 4.7128 7.6292 118.4658 54.8014 34.0988 175.6649 747 R 4.6731 8.7253 121.7247 54.1993 32.4355 175.0908 748 C 2.4500 8.5808 124.0694 57.9282 31.8608 171.4444 749 P 4.4246 0.0000 0.0000 61.8269 32.4259 174.3780 750 H 4.9368 7.8110 113.0895 52.8739 31.2414 171.7803 751 P 4.4035 0.0000 0.0000 63.0049 31.9495 175.7906 752 L 4.5998 8.5496 122.3824 54.1141 43.5711 176.2776 753 T 4.7441 8.3781 116.8753 61.4178 70.6704 174.2418 754 F 3.2584 9.0473 128.8769 58.4631 39.8842 174.3200 755 D 4.2089 7.1278 126.3659 52.9237 42.4924 175.5603 756 V 3.2864 8.2524 127.7745 66.0054 31.5440 176.4604 757 N 4.4303 8.1100 114.3513 53.6475 38.6258 174.8229 758 N 4.5261 7.9294 119.1025 52.2737 39.5913 174.9213 759 T 3.8587 8.4280 126.0066 66.8774 68.6092 175.7319 760 L 4.1025 7.9552 121.6233 58.5520 42.2361 178.5938 761 H 4.1586 8.3291 115.4788 58.9721 28.5516 177.3602 762 L 4.0352 7.8680 121.8606 58.2205 41.9080 178.3939 763 D 4.4866 8.8378 119.2659 57.7422 40.8219 178.4552 764 Y 4.0543 8.2683 119.6142 60.7205 38.9090 178.0621 765 V 3.6810 8.0429 118.8250 66.4156 31.5621 177.4513 766 M 4.0684 8.3706 118.3864 58.6737 31.8652 178.8274 767 A 3.9251 8.1088 120.0514 55.1678 18.6517 179.5417 768 A 4.0593 8.5703 119.4575 55.3567 18.4945 179.7323 769 A 4.1994 8.8111 119.6545 55.3487 18.5216 179.6728 770 N 4.3792 8.0300 115.0799 56.5276 38.5939 177.6151 771 L 3.6501 7.6556 120.3285 57.5886 41.0679 179.3821 772 F 4.0027 8.4812 120.7122 61.0260 39.1473 176.9486 773 A 3.9373 8.6479 120.7741 55.3797 18.2750 179.3341 774 Q 3.7948 8.0833 116.5703 59.7568 28.7717 179.5311 775 T 4.1996 7.5809 117.5536 65.3158 67.8946 174.8674 776 Y 4.5546 7.2792 115.9374 56.8537 38.3087 176.5451 777 G 3.2012 8.2546 108.2005 45.9482 0.0000 173.6804 778 L 4.5865 7.6837 118.6068 52.8917 43.4727 176.6918 779 T 4.1224 8.1949 117.9629 63.2079 69.7918 175.5591 780 G 3.5163 7.6615 114.4793 43.9870 0.0000 172.3591 781 S 4.2347 6.8569 113.8972 57.6411 65.0039 174.9667 782 Q 4.5565 8.4259 122.6959 55.6796 29.3236 176.4823 783 D 4.6153 8.2341 119.8083 53.4102 40.6190 176.6411 784 R 4.0056 8.5120 126.5023 59.0238 30.2819 178.5113 785 A 3.9914 8.1406 119.8556 55.0118 18.4212 179.3716 786 A 3.9844 8.2208 118.9808 55.4351 18.4860 180.0503 787 V 3.6080 7.9867 116.6058 66.0655 31.3570 178.0329 788 A 4.0443 8.1035 119.8753 55.1050 18.4353 179.3201 789 S 4.1867 8.1437 111.5560 61.6183 62.6887 176.2553 790 L 3.9967 8.3217 122.0939 57.9712 41.3581 179.5909 791 L 3.9694 8.3728 119.1813 57.8205 41.2831 179.3386 792 Q 4.2324 7.7203 116.9762 58.7530 28.7112 178.4012 793 S 4.6128 7.6172 112.7561 57.2686 63.3927 174.0753 794 V 3.8655 7.6208 123.6631 62.0822 31.8270 175.0009 795 Q 4.5547 8.5070 126.1390 54.0634 30.5922 174.9264 796 V 4.0399 7.9959 122.1023 60.2905 32.8250 173.7943 797 P 4.2952 0.0000 0.0000 62.4636 31.7403 176.2376 798 E 4.2267 8.5776 121.8428 56.5533 30.1107 176.0244 799 F 4.8716 8.3200 121.3915 56.9112 42.6948 174.3223 800 T 4.3031 6.4575 121.3193 61.0344 72.2089 172.2398 801 P 4.2668 0.0000 0.0000 62.7363 31.8305 176.3088 802 K 4.3091 8.4819 122.2856 55.1281 33.8161 177.1031 803 S 4.3028 8.3088 115.5668 61.5300 63.5084 176.7627 804 G 3.8107 7.6821 108.6756 45.1186 0.0000 174.1643 805 V 4.1190 7.3512 117.9422 60.7548 32.7874 174.9086 806 K 4.1233 8.5572 127.6219 55.9475 32.3418 176.7507 807 I 4.4966 8.0332 124.4451 59.3620 38.7535 174.9310 808 H 4.4909 8.7449 122.4689 55.8672 29.2067 175.9641 809 V 4.5138 8.5309 121.0448 62.8520 33.1872 175.6234 810 S 4.8264 7.7519 112.0335 56.2909 66.2620 174.4102 811 D 4.7334 8.4662 121.7232 54.4423 38.2215 177.2859 812 Q 4.4132 7.5036 116.9822 53.6399 30.3553 173.8813 813 E 4.5039 8.4491 121.8608 55.1222 33.0257 174.7219 814 L 4.3289 8.3546 122.8922 54.7859 39.0665 176.3375 *821 V 4.1011 8.7712 118.1867 63.4507 33.2276 174.3573 822 D 4.6826 8.1871 117.4368 56.5473 41.5114 176.8908 823 D 4.9233 7.9774 115.4237 53.8126 42.4628 177.3469 824 S 4.4328 7.8505 114.9535 60.1104 64.0354 176.1825 825 R 3.8594 7.8137 121.8218 58.9410 29.9340 178.1153 826 L 3.9460 7.8125 119.7442 58.2512 41.7681 178.6634 827 E 4.0021 7.8259 118.0313 59.2720 29.4717 178.9411 828 E 3.9905 8.4678 119.0188 59.5546 29.5036 179.4188 829 L 3.9742 7.6866 118.3115 57.9908 41.5382 179.6631 830 K 3.6630 7.7071 116.0873 59.0929 32.0443 178.1716 831 A 4.4962 7.5366 117.9240 52.9151 19.5468 178.9140 832 T 4.2951 7.4128 113.6681 65.0087 69.0717 174.8027 833 L 4.0041 8.0015 122.2379 53.5050 41.7416 175.7320 834 P 4.3458 0.0000 0.0000 62.7104 32.0699 176.0360 835 S 4.4472 8.5575 115.1235 57.2410 63.4829 173.0600 836 P 4.2115 0.0000 0.0000 66.1981 30.9192 178.2182 837 D 4.5238 7.9814 114.7953 56.0900 40.8843 177.3678 838 K 4.4047 8.5407 119.8695 56.0638 33.4335 176.6464 839 L 4.7758 7.7141 117.6056 52.3563 42.1179 173.5721 840 P 4.3018 0.0000 0.0000 64.4458 32.1418 176.6649 841 G 4.1052 8.6836 110.1226 46.1746 0.0000 172.5215 842 F 4.5527 7.6670 120.4854 56.7217 40.3781 174.7158 843 K 4.2778 6.9408 124.1870 56.2168 34.8285 174.3328 844 M 4.5669 8.2501 118.9061 53.7056 34.7804 175.8153 845 Y 4.4423 8.2285 119.1457 54.9669 38.7823 173.1638 846 P 4.3807 0.0000 0.0000 62.9959 32.5432 175.3903 847 I 4.5981 8.3081 123.4924 59.6865 39.3337 175.0676 848 D 4.7660 8.8650 127.5916 52.9352 41.6947 176.2035 849 F 3.9404 9.0187 126.7399 58.4842 39.6069 174.4141 850 E 4.2406 7.7377 126.7309 53.7795 30.6093 176.2482 851 K 3.6384 7.8415 123.4246 59.0113 33.1122 178.5986 852 D 4.3418 7.2386 119.5040 56.7976 41.0964 176.3799 853 D 4.4509 7.6068 119.4008 53.6364 39.3246 175.8813 854 D 4.3969 8.3736 125.3843 56.0877 41.0587 177.7916 855 S 4.1881 8.2298 112.8632 58.9106 63.4850 174.0826 856 N 4.3857 7.7715 119.5666 52.9598 39.6124 174.9290 857 F 5.2605 8.3759 116.1108 56.9327 40.1292 177.0610 858 H 4.7987 8.6211 116.8981 59.9461 28.4738 177.1090 859 M 4.4200 8.1461 119.2709 58.1457 31.7879 178.4003 860 D 4.5108 8.2763 119.0222 57.3835 40.9891 178.3351 861 F 4.3088 9.4866 122.0779 61.4246 39.5145 176.8209 862 I 4.0280 8.3927 119.4706 64.8297 37.0140 178.5045 863 V 3.6492 8.3156 118.6498 65.9021 31.3483 177.9800 864 A 4.0136 8.1818 120.2323 55.1352 18.3488 179.2483 865 A 4.3386 8.7180 121.6807 54.8184 18.3701 179.7781 866 S 4.1681 8.3670 111.4210 61.9198 62.6229 176.2710 867 N 4.4396 8.4368 118.9614 55.8626 38.2769 177.6440 868 L 3.7413 7.7721 120.8994 57.6094 41.7524 179.2721 869 R 3.8499 7.9169 118.4533 59.2885 29.9076 178.3336 870 A 4.0134 8.3368 121.0429 55.2300 18.1773 179.2739 871 E 4.0913 7.9861 116.5549 58.9873 30.0171 178.6546 872 N 4.2879 7.8287 116.6032 56.2599 38.3497 176.2225 873 Y 4.2742 7.5960 114.7515 57.4703 38.2624 175.5543 874 D 4.3896 7.9201 117.0336 55.7722 38.4603 173.7720 875 I 4.5067 7.8291 118.0650 59.1047 39.7017 176.7738 876 S 4.2000 8.5706 121.1499 57.9953 63.1532 172.8035 877 P 4.5373 0.0000 0.0000 62.3740 31.8480 175.4138 878 A 4.7092 8.5764 123.0238 49.7761 21.4404 176.9256 879 D 4.6511 8.5081 122.7255 52.5568 41.7846 177.2745 880 R 3.8677 8.5815 119.2701 60.2556 29.7115 177.9566 881 H 4.2617 8.1323 114.9082 59.0089 28.6269 177.8745 882 K 4.0419 8.5669 120.3222 59.3739 31.8201 179.6604 883 S 4.4579 8.7386 115.8540 61.6787 62.6324 176.7992 884 K 4.1166 8.0893 120.6885 59.1976 31.9395 178.6121 885 L 4.1984 7.8664 119.0605 57.6106 41.7616 178.7261 886 I 4.0855 8.7696 117.6453 62.0559 37.9336 176.1759 887 A 4.7126 7.9851 122.9486 52.2458 19.6082 178.8901 888 G 3.7144 8.2922 113.1569 48.7452 0.0000 175.3652 889 K 4.2221 7.4794 125.6917 54.6141 31.8357 181.7765 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 629 I 8.02 4.14 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.92 0.00 0.00 630 P 0.00 4.17 0.00 2.24 2.03 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 631 I 9.13 3.69 2.05 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 0.59 0.95 0.00 0.00 632 C 8.47 4.27 0.00 3.10 3.36 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 0.00 633 T 7.83 4.12 4.35 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 1.07 0.00 0.00 634 L 7.43 4.14 0.00 1.95 1.84 0.98 1.31 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 0.00 635 K 8.46 4.29 0.00 1.69 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.68 7.81 636 N 7.75 4.57 0.00 1.44 1.97 0.00 0.00 6.68 7.45 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 0.00 637 F 7.74 5.08 0.00 2.97 2.97 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 0.00 638 P 0.00 4.46 0.00 1.87 1.70 0.00 2.66 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.79 0.00 639 N 8.76 5.00 0.00 2.81 3.08 0.00 0.00 5.77 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 A 7.71 4.64 1.04 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 0.00 0.00 641 I 8.54 3.94 1.87 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 1.71 1.22 0.91 0.00 0.00 642 E 8.02 4.03 0.00 2.18 2.19 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 2.22 2.27 0.00 643 H 8.47 4.27 0.00 3.14 3.30 0.00 5.63 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 0.00 644 T 7.92 3.87 4.35 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 1.30 0.00 0.00 645 L 8.13 4.10 0.00 1.76 1.80 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 646 Q 8.17 4.00 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 647 W 8.60 4.19 0.00 3.51 3.49 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 0.00 648 A 8.62 4.11 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 R 8.24 3.69 0.00 1.80 2.06 0.00 2.21 0.00 0.00 2.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 650 D 8.12 4.29 0.00 2.86 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 0.00 651 E 8.28 3.64 0.00 1.47 2.23 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 2.45 2.45 0.00 652 F 8.54 3.78 0.00 3.43 3.14 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 0.00 0.00 0.00 653 E 8.36 4.22 0.00 2.27 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 2.38 2.49 0.00 654 G 8.13 3.54 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 0.00 663 V 7.68 3.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 664 N 8.34 4.39 0.00 2.78 2.72 0.00 0.00 6.99 7.51 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 0.00 665 Q 7.85 3.85 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 666 Y 7.31 3.76 0.00 2.19 2.91 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 0.00 667 L 7.47 4.16 0.00 1.82 1.67 1.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 668 T 7.79 4.20 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 1.18 0.00 0.00 669 D 7.58 4.89 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 S 8.22 4.62 0.00 3.85 3.86 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 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2.00 0.00 0.00 0.00 0.00 0.00 0.00 834 P 0.00 4.35 0.00 2.04 2.01 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 835 S 8.56 4.45 0.00 3.88 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 0.00 836 P 0.00 4.21 0.00 2.08 1.98 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 837 D 7.98 4.52 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 838 K 8.54 4.40 0.00 1.68 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 839 L 7.71 4.78 0.00 1.84 1.50 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 840 P 0.00 4.30 0.00 2.07 2.04 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 841 G 8.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 F 7.67 4.55 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 K 6.94 4.28 0.00 1.46 1.51 0.00 1.12 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.03 7.81 844 M 8.25 4.57 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.83 0.00 845 Y 8.23 4.44 0.00 2.96 2.85 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 0.00 846 P 0.00 4.38 0.00 1.93 2.00 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 847 I 8.31 4.60 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 1.16 0.00 0.00 848 D 8.86 4.77 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 F 9.02 3.94 0.00 2.62 2.91 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 0.00 850 E 7.74 4.24 0.00 1.68 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 851 K 7.84 3.64 0.00 1.84 1.95 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.40 7.81 852 D 7.24 4.34 0.00 2.56 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 0.00 853 D 7.61 4.45 0.00 2.55 2.40 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 0.00 854 D 8.37 4.40 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 S 8.23 4.19 0.00 3.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 N 7.77 4.39 0.00 2.63 2.88 0.00 0.00 6.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 857 F 8.38 5.26 0.00 3.14 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 0.00 858 H 8.62 4.80 0.00 3.07 3.09 0.00 5.81 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 0.00 859 M 8.15 4.42 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 860 D 8.28 4.51 0.00 3.14 2.97 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 0.00 861 F 9.49 4.31 0.00 3.40 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 0.00 862 I 8.39 4.03 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.09 1.07 0.00 0.00 863 V 8.32 3.65 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 1.14 0.00 0.00 1.06 0.00 0.00 864 A 8.18 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 A 8.72 4.34 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 0.00 866 S 8.37 4.17 0.00 4.05 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 0.00 867 N 8.44 4.44 0.00 2.84 2.85 0.00 0.00 7.14 6.44 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 0.00 868 L 7.77 3.74 0.00 1.04 0.23 0.48 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 869 R 7.92 3.85 0.00 1.38 1.92 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 870 A 8.34 4.01 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 0.00 871 E 7.99 4.09 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 872 N 7.83 4.29 0.00 2.99 2.27 0.00 0.00 6.84 7.01 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 0.00 873 Y 7.60 4.27 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 874 D 7.92 4.39 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 I 7.83 4.51 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.93 0.00 0.00 876 S 8.57 4.20 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 P 0.00 4.54 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 878 A 8.58 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 D 8.51 4.65 0.00 2.90 2.85 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 0.00 880 R 8.58 3.87 0.00 1.87 1.83 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 881 H 8.13 4.26 0.00 3.36 3.33 0.00 5.68 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 0.00 882 K 8.57 4.04 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.94 7.81 883 S 8.74 4.46 0.00 4.07 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 0.00 884 K 8.09 4.12 0.00 1.81 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 885 L 7.87 4.20 0.00 1.84 1.74 0.97 0.73 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 0.00 886 I 8.77 4.09 1.92 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 1.48 0.71 0.93 0.00 0.00 887 A 7.99 4.71 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 0.00 0.00 0.00 0.00 0.00 888 G 8.29 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 0.00 0.00 0.00 889 K 7.48 4.22 0.00 1.90 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.