NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 629 I 4.1435 8.0249 121.4543 60.1080 38.6671 175.6356 630 P 4.1713 0.0000 0.0000 62.7761 32.6741 175.4826 631 I 3.6841 9.1604 124.5185 64.9844 37.5743 178.1525 632 C 4.2594 8.4570 116.8217 63.4391 27.6471 176.5126 633 T 4.1061 7.8219 116.0759 66.3569 68.2061 176.4645 634 L 4.1323 7.3839 119.7099 57.8376 41.8223 179.5139 635 K 4.2962 8.4327 117.1514 59.0571 32.1618 177.8300 636 N 4.6093 7.7026 113.0190 53.4112 41.4012 174.8781 637 F 5.0813 7.7444 115.5850 55.2664 38.8985 173.1228 638 P 4.4802 0.0000 0.0000 62.5649 32.4397 177.0293 639 N 4.9962 8.7574 112.7968 52.3957 39.6910 174.0193 640 A 4.6411 7.6445 121.4647 49.3699 22.4634 176.7333 641 I 3.8713 8.4837 120.7815 64.1223 37.7643 178.1973 642 E 4.0223 8.0150 118.0733 59.4957 29.4899 178.7330 643 H 4.2751 8.3796 117.6516 58.9372 28.7218 177.6946 644 T 3.8495 7.8891 116.9837 66.8465 68.3854 176.4406 645 L 4.1015 8.1491 120.7438 57.7306 41.5797 179.3548 646 Q 3.9922 8.2049 119.5486 58.9599 29.0645 178.0038 647 W 4.2096 8.5717 129.2940 60.6684 30.6343 177.5627 648 A 4.1129 8.6848 120.7058 55.3724 17.9416 179.5979 649 R 3.6875 8.2318 117.0794 59.4924 30.0712 178.4227 650 D 4.2955 8.1515 118.8057 57.2515 40.7822 178.1850 651 E 3.6356 8.2750 120.0549 59.3291 29.5374 178.4104 652 F 3.8298 8.5938 120.6800 61.5857 39.3533 177.0212 653 E 4.1869 8.3420 117.7586 59.4626 29.1129 179.5175 654 G 3.5896 8.0991 104.0650 46.6002 0.0000 174.8770 655 L 4.1793 7.3929 119.9884 55.5480 42.8329 177.7738 656 F 4.8238 7.3975 114.4884 56.9509 39.7403 175.4742 657 K 4.2830 7.5858 117.3059 57.7405 34.4315 177.4782 658 Q 3.9933 8.3315 117.4679 58.7967 28.6768 177.3967 659 P 4.1868 0.0000 0.0000 65.7373 31.3319 178.3594 660 A 3.7656 7.7910 118.5421 55.0495 18.3572 178.8438 661 E 3.7964 8.1934 117.7920 59.6785 29.7104 178.7972 662 N 4.3036 8.3477 116.4763 56.4200 38.4273 177.5297 663 V 3.5816 7.6131 118.3524 65.9426 31.8073 177.6403 664 N 4.3868 8.3321 116.4765 56.3456 38.4099 177.2473 665 Q 3.8639 7.8469 119.3615 59.3028 28.6155 178.4992 666 Y 3.7511 7.3601 119.0797 60.1304 38.7467 177.3136 667 L 4.1768 7.4465 117.0096 55.1525 42.0553 176.9221 668 T 4.2222 7.8115 115.1692 64.8315 69.8873 174.8444 669 D 4.8957 7.6099 118.5963 53.0893 43.0437 175.7875 670 S 4.6062 8.2245 113.1325 59.4677 64.8899 176.4162 671 K 4.0280 8.0632 120.8036 58.6606 32.3182 178.2943 672 F 4.0030 8.0771 119.7862 61.5981 39.1612 176.9528 673 V 3.6955 8.0767 116.2130 66.6988 31.5402 176.9735 674 E 4.0126 8.2321 118.6370 58.2065 29.6015 178.0410 675 R 3.8215 8.4633 118.8046 60.1793 30.3341 178.7599 676 T 3.6362 7.7797 115.3049 66.4825 68.1448 176.2768 677 L 4.0960 7.6978 120.6959 57.1124 42.0464 177.9786 678 R 4.4208 7.3834 116.7806 55.2061 30.6683 175.4812 679 L 4.3955 7.0177 120.4149 53.0609 43.9234 175.6149 680 A 3.7594 8.5594 126.8590 52.1779 18.0966 180.4849 681 G 3.8490 8.7072 110.9964 47.6406 0.0000 172.8034 682 T 4.1528 8.2459 115.7299 63.7782 69.2075 176.2803 683 Q 4.2892 7.9968 121.9744 57.8625 28.6837 177.1292 684 P 4.1798 0.0000 0.0000 65.8386 31.2727 178.3258 685 L 3.9621 7.8861 116.5571 57.9798 41.5380 178.8799 686 E 3.9425 7.7820 118.3981 60.2274 29.4273 179.4659 687 V 3.6632 8.2870 118.1444 65.9762 31.7259 177.7054 688 L 3.9558 8.3539 118.6946 58.1627 41.5361 179.5050 689 E 4.1318 8.6078 117.9296 58.4463 29.5068 178.9370 690 A 3.9838 8.1034 121.4238 55.0081 18.4027 179.6474 691 V 3.4238 7.7518 116.3154 66.1569 31.3695 177.6687 692 Q 3.8397 7.8016 118.7383 59.3924 28.8181 178.4519 693 R 4.0357 8.2862 119.8232 59.5572 29.8629 178.5801 694 S 4.4196 8.4382 115.8419 60.4273 62.9834 175.9582 695 L 4.2213 8.0569 120.8015 56.5367 41.6320 176.2640 696 V 4.1922 7.9808 115.8611 63.3740 34.2874 177.0076 697 L 4.0129 7.9856 121.0890 58.0974 41.7441 178.6786 698 Q 4.4794 8.1793 113.7631 55.3853 29.1540 175.9024 699 R 3.4507 7.5394 119.9838 55.6538 30.1676 174.4226 700 P 4.5454 0.0000 0.0000 62.5261 32.3933 175.8287 701 Q 4.4783 9.1990 118.6345 56.3929 31.0294 175.4938 702 T 4.8000 7.6080 110.4145 58.8139 71.0821 174.0323 703 W 4.6231 8.8873 133.2708 60.4676 30.6551 178.1944 704 G 3.4479 8.1508 105.2946 47.5036 0.0000 175.3342 705 D 4.3844 7.8860 120.8734 57.3822 40.7886 178.5791 706 C 4.3084 7.8630 116.9025 62.8804 28.3358 176.1199 707 V 3.2816 7.3108 119.8253 65.9871 30.8752 178.3098 708 T 3.6564 7.8002 115.6087 66.0588 68.2892 176.3468 709 W 3.8652 8.1748 130.1429 60.3911 30.5814 177.6828 710 A 3.4579 8.1616 120.5225 55.2981 17.8263 179.1320 711 C 3.8365 7.8058 116.9373 62.8800 31.5266 175.5550 712 H 4.2004 8.1282 118.0153 59.0897 28.1763 177.3113 713 H 3.8802 8.1841 120.4932 58.6212 29.4673 177.0429 714 W 4.0691 8.5981 130.7384 60.9452 30.5708 177.7148 715 H 4.2529 8.5433 116.1105 59.0227 28.0310 177.8923 716 T 3.5410 7.7844 117.5614 66.7804 68.0766 176.6600 717 Q 3.6606 7.4942 118.3611 57.9226 28.9482 177.1338 718 Y 4.2454 7.0178 115.3899 58.3098 38.1956 175.7028 719 C 4.4862 7.2277 118.2819 59.6692 34.3507 175.1643 720 N 3.5273 8.6783 116.5190 56.5889 38.3354 177.3356 721 N 4.1791 8.1529 117.6848 56.0293 38.5128 177.8502 722 I 3.5832 7.3487 121.0089 64.4947 37.1764 178.3296 723 R 3.9461 7.8631 117.5808 59.2173 30.1254 178.7375 724 Q 4.2244 8.3620 119.7467 59.1178 29.1359 177.8497 725 L 4.1963 7.9769 121.4166 58.3416 42.2625 178.8303 726 L 4.6367 8.3174 119.6174 56.6894 41.2643 178.9026 727 H 4.2332 8.0327 118.2740 59.3010 30.0269 176.6876 728 N 4.3817 8.0768 116.3755 54.6769 39.0761 175.2874 729 F 4.6489 8.2412 118.6726 54.3983 40.4275 172.3397 730 P 5.0462 0.0000 0.0000 61.0393 32.1345 175.8119 731 P 4.4295 0.0000 0.0000 65.5398 31.2797 177.1476 732 D 4.9478 8.0217 115.3043 52.9769 39.9050 176.0247 733 Q 4.1335 8.3527 121.7606 56.7380 29.5428 175.2452 734 L 5.1677 8.2337 123.7423 53.4126 44.7729 176.0660 735 T 4.4775 8.7420 118.4824 62.2449 69.8746 176.4176 736 S 4.1776 8.4750 116.5836 61.3614 63.0594 175.2545 737 S 4.3207 8.0362 113.2880 58.2406 62.9487 174.9817 738 G 3.8703 8.1820 109.3676 45.5998 0.0000 173.9994 739 A 4.3138 7.4522 122.4243 50.7111 19.4462 174.9332 740 P 4.8161 0.0000 0.0000 62.1292 32.1562 176.9481 741 F 4.0101 9.2586 126.5343 61.0140 39.7491 176.2742 742 W 4.5247 7.8320 120.9271 54.9156 27.3644 175.0006 743 S 4.6593 7.1586 113.0808 57.7432 66.8416 176.1006 744 G 3.9017 8.3355 114.5103 46.0852 0.0000 174.0393 745 P 4.5128 0.0000 0.0000 63.1831 30.9812 175.6701 746 K 4.6918 7.5763 118.6291 54.8081 33.9271 175.6995 747 R 4.6801 8.7111 121.7737 54.2170 32.4556 175.0784 748 C 2.4500 8.5761 123.9907 57.8807 31.8620 171.4426 749 P 4.4246 0.0000 0.0000 61.8503 32.3846 174.4111 750 H 4.9423 7.8561 113.4467 52.8392 31.2392 171.7592 751 P 4.4012 0.0000 0.0000 63.0060 31.9335 175.7835 752 L 4.5976 8.5678 122.4154 54.1108 43.5518 176.3004 753 T 4.7307 8.3898 117.0729 61.4190 70.5315 174.2472 754 F 3.2516 9.0304 128.8634 58.5177 39.8460 174.3445 755 D 4.1870 7.0929 126.3901 52.9671 42.4456 175.5632 756 V 3.2812 8.2322 127.7855 65.9515 31.5327 176.4377 757 N 4.4251 8.1320 114.4702 53.6452 38.7113 174.8609 758 N 4.5121 7.9190 119.0623 52.3368 39.5216 174.9062 759 T 3.8612 8.4488 126.0208 66.8738 68.6154 175.7803 760 L 4.1177 7.9692 121.5878 58.5516 42.2396 178.5359 761 H 4.1806 8.3869 115.5400 59.0021 28.5308 177.3537 762 L 4.0331 7.8785 121.8188 58.2288 41.9924 178.3774 763 D 4.4903 8.7633 119.3069 57.7563 40.8121 178.4649 764 Y 4.0928 8.3169 119.5911 60.7408 38.9580 178.0458 765 V 3.6761 8.0659 118.9122 66.4346 31.5454 177.4742 766 M 4.0620 8.3925 118.3849 58.6730 31.8814 178.8366 767 A 3.9088 8.0759 119.9237 55.1244 18.7248 179.5121 768 A 4.0542 8.5236 119.4923 55.3920 18.4812 179.7247 769 A 4.2260 8.7129 119.6257 55.3615 18.5193 179.6825 770 N 4.4049 8.0470 115.0386 56.5223 38.5869 177.6320 771 L 3.6755 7.6508 120.3080 57.5969 41.0752 179.3780 772 F 4.0193 8.5819 120.7202 61.0297 39.1571 177.0092 773 A 3.9456 8.5736 120.8083 55.3454 18.2556 179.3083 774 Q 3.7940 8.1093 116.6844 59.7856 28.7719 179.5746 775 T 4.0928 7.5777 117.5318 65.1603 67.8286 174.9316 776 Y 4.3944 7.2149 115.8948 57.2108 38.5153 176.6492 777 G 3.2897 8.4496 108.0132 45.9216 0.0000 173.8664 778 L 4.5213 7.6747 118.7065 53.1542 43.2330 176.6121 779 T 4.1689 8.1773 117.7903 63.0777 69.8917 175.6438 780 G 3.4476 7.6827 114.6037 43.9591 0.0000 172.3868 781 S 4.2396 6.9132 114.1439 57.6090 65.0160 174.9213 782 Q 4.5314 8.4345 123.1914 55.7525 29.2317 176.3997 783 D 4.6039 8.1735 119.5967 53.5423 40.7873 176.6546 784 R 4.0171 8.5238 126.7780 58.9989 30.2504 178.5948 785 A 4.0166 8.1159 119.9429 55.0265 18.4407 179.3829 786 A 3.9886 8.2446 119.1113 55.4124 18.4375 180.0701 787 V 3.6210 8.0021 116.6215 66.0429 31.3586 178.0881 788 A 4.0237 8.0093 119.8004 55.0729 18.3626 179.3156 789 S 4.1900 8.1725 111.6225 61.6329 62.4328 176.3340 790 L 4.0050 8.3504 122.0939 57.8841 41.2788 179.5797 791 L 3.9656 8.3299 119.2527 57.7700 41.2822 179.2809 792 Q 4.1202 7.7032 117.3035 58.8679 28.7334 178.4776 793 S 4.5742 7.5711 112.9738 57.4815 63.4023 174.2052 794 V 3.8202 7.5315 123.7156 62.1869 31.7681 174.9512 795 Q 4.5367 8.5137 126.2263 54.0794 30.4872 174.9580 796 V 4.0065 8.0191 122.3677 60.3680 32.7570 173.7857 797 P 4.2975 0.0000 0.0000 62.4597 31.7394 176.2422 798 E 4.2318 8.5803 121.8745 56.5466 30.1141 176.0205 799 F 4.8843 8.3262 121.3933 56.9206 42.6935 174.3075 800 T 4.3185 6.4859 121.3138 61.0377 72.2376 172.2345 801 P 4.2610 0.0000 0.0000 62.7045 31.8361 176.3778 802 K 4.2963 8.4724 122.3478 55.2192 33.6943 177.1799 803 S 4.2989 8.3156 115.5879 61.5107 63.5145 176.7113 804 G 3.8070 7.6745 108.6400 45.0509 0.0000 174.2438 805 V 4.0907 7.3457 117.9868 60.8197 32.6599 174.9667 806 K 4.1168 8.5559 127.6864 55.9857 32.3228 176.7922 807 I 4.4899 8.0321 124.4930 59.3520 38.6759 174.9252 808 H 4.4869 8.7237 122.4158 55.8583 29.2152 175.9682 809 V 4.5334 8.5311 121.0889 62.9021 33.1244 175.6614 810 S 4.8321 7.7543 112.0504 56.2792 66.2536 174.4131 811 D 4.7287 8.4717 121.7434 54.4579 38.2154 177.2647 812 Q 4.4130 7.5134 116.9509 53.6388 30.3628 173.8859 813 E 4.5072 8.4581 121.9219 55.1008 33.0240 174.6556 814 L 4.3194 8.3697 123.1003 54.8007 39.0528 176.1968 *821 V 4.1017 8.7768 118.1059 63.4392 33.2288 174.3149 822 D 4.6923 8.1826 117.4134 56.4807 41.6459 176.8679 823 D 4.9254 7.9752 115.3918 53.7840 42.4833 177.3150 824 S 4.4240 7.8525 114.9662 60.1188 63.9979 176.1859 825 R 3.8607 7.8152 121.8257 58.9290 29.9158 178.1302 826 L 3.9451 7.8068 119.7660 58.2333 41.7565 178.6483 827 E 3.9981 7.8304 118.2117 59.2969 29.4908 178.9401 828 E 3.9898 8.4637 118.9949 59.5482 29.4975 179.4366 829 L 3.9746 7.6827 118.3874 57.9919 41.5425 179.6382 830 K 3.6453 7.6866 116.0880 59.1454 32.0495 178.1788 831 A 4.4840 7.5390 117.8480 52.9514 19.4982 178.9200 832 T 4.2988 7.3919 113.5769 64.9669 69.0859 174.8308 833 L 4.0044 8.0014 122.0430 53.5135 41.7541 175.7212 834 P 4.3477 0.0000 0.0000 62.7276 32.0715 176.0136 835 S 4.4665 8.5216 115.0290 57.1454 63.5311 173.0344 836 P 4.1952 0.0000 0.0000 66.2177 30.9085 178.2734 837 D 4.5221 7.9728 114.7147 56.0785 40.8906 177.3696 838 K 4.4034 8.4339 119.5708 56.0685 33.3835 176.6720 839 L 4.7686 7.7141 117.6402 52.3924 42.1251 173.5417 840 P 4.3284 0.0000 0.0000 64.3725 32.1479 176.6902 841 G 4.1000 8.6636 110.1759 46.1864 0.0000 172.5214 842 F 4.5809 7.6571 120.2582 56.6681 40.4149 174.7171 843 K 4.2975 7.0033 124.2796 56.1575 34.8943 174.4032 844 M 4.5407 8.1734 118.8374 53.6932 34.9578 175.8227 845 Y 4.4439 8.2339 119.2141 54.9563 38.8102 173.1534 846 P 4.4247 0.0000 0.0000 62.9910 32.5410 175.3716 847 I 4.5933 8.2836 123.5149 59.6915 39.2883 175.0583 848 D 4.7818 8.8586 127.5484 52.8900 41.7118 176.1997 849 F 3.9662 9.0590 126.7327 58.5351 39.5858 174.4255 850 E 4.2618 7.7858 126.7142 53.7800 30.6023 176.2354 851 K 3.6088 7.8687 123.4201 59.0271 33.0988 178.5995 852 D 4.3453 7.2414 119.4134 56.7734 41.1128 176.3718 853 D 4.4575 7.6069 119.2956 53.5498 39.3290 175.8671 854 D 4.4140 8.3781 125.4025 56.1409 41.0663 177.8024 855 S 4.1951 8.2163 112.7318 58.8508 63.4728 174.0793 856 N 4.3841 7.7894 119.6080 52.9613 39.6518 174.9685 857 F 5.2374 8.3736 116.1017 56.9042 40.0536 177.0125 858 H 4.6562 8.5644 116.9940 59.8996 28.4776 177.1731 859 M 4.3973 8.1163 119.3546 58.1905 31.6586 178.3614 860 D 4.5161 8.2883 118.9797 57.3796 40.9744 178.4640 861 F 4.3073 9.3704 121.7030 61.4533 39.4932 176.8486 862 I 3.9945 8.3239 119.5144 64.8111 36.9685 178.4476 863 V 3.6391 8.3111 118.6521 65.9700 31.4037 177.9871 864 A 4.0207 8.1947 120.2123 55.1400 18.3374 179.3425 865 A 4.3839 8.6869 121.4975 54.8384 18.3925 179.8203 866 S 4.1471 8.4397 111.6424 61.8985 62.5987 176.2666 867 N 4.4607 8.4708 119.1075 55.8893 37.9371 177.6430 868 L 3.7196 7.4735 120.0303 57.6241 41.9578 178.9624 869 R 3.9643 7.8657 118.4288 59.2635 29.8885 178.3219 870 A 3.9911 8.3439 121.0617 55.2411 18.1860 179.2779 871 E 4.0661 8.0210 116.5040 59.0117 29.9295 178.6238 872 N 4.2864 7.8914 116.8503 56.1401 38.3234 176.1138 873 Y 4.1420 7.7622 114.6731 57.3143 38.4502 175.3525 874 D 4.3890 7.9257 117.0766 55.8054 38.4254 173.7912 875 I 4.5049 7.8281 118.0891 59.0933 39.7356 176.7788 876 S 4.1927 8.5837 121.2410 57.9997 63.1431 172.7876 877 P 4.5353 0.0000 0.0000 62.3758 31.8504 175.4077 878 A 4.7034 8.5301 122.9094 49.7525 21.4636 176.9090 879 D 4.6488 8.5138 122.7398 52.5473 41.7999 177.2868 880 R 3.8657 8.5757 119.3003 60.2673 29.7517 177.9568 881 H 4.2715 8.1193 114.9171 58.9894 28.7360 177.8833 882 K 4.0590 8.5855 120.3537 59.3576 31.8098 179.6476 883 S 4.3686 8.7224 115.8580 61.6862 62.6322 176.8073 884 K 4.1134 8.0606 120.6323 59.1918 31.9417 178.6097 885 L 4.2013 7.8354 119.0112 57.5816 41.7623 178.6762 886 I 4.0891 8.6636 117.7280 61.9209 37.6141 176.2202 887 A 4.7362 8.0096 123.2472 52.1028 19.3589 178.8546 888 G 3.5054 8.2490 113.3517 48.5738 0.0000 175.2347 889 K 4.2215 7.4492 126.2577 54.6238 31.8284 181.8117 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 0.91 0.00 0.00 630 P 0.00 4.17 0.00 2.23 2.03 0.00 3.60 0.00 0.00 3.77 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 9.16 3.68 2.05 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 1.54 0.57 0.94 0.00 0.00 632 C 8.46 4.26 0.00 3.10 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 0.00 633 T 7.82 4.11 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 1.10 0.00 0.00 634 L 7.38 4.13 0.00 1.90 1.83 0.98 1.46 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 0.00 635 K 8.43 4.30 0.00 1.68 1.90 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.67 7.81 636 N 7.70 4.61 0.00 1.44 1.95 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 2.98 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 0.00 638 P 0.00 4.48 0.00 1.87 1.70 0.00 2.70 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 0.78 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 7.64 4.64 1.06 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 0.00 0.00 641 I 8.48 3.87 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 8.01 4.02 0.00 2.19 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 2.28 0.00 643 H 8.38 4.28 0.00 3.15 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 7.89 3.85 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 8.15 4.10 0.00 1.76 1.79 1.02 0.81 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 0.00 646 Q 8.20 3.99 0.00 2.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 647 W 8.57 4.21 0.00 3.50 3.47 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 0.00 648 A 8.68 4.11 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.69 0.00 1.81 2.07 0.00 2.21 0.00 0.00 2.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 650 D 8.15 4.30 0.00 2.84 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 8.27 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 2.44 2.44 0.00 652 F 8.59 3.83 0.00 3.34 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 8.34 4.19 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 2.39 2.49 0.00 654 G 8.10 3.59 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 7.61 3.58 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 664 N 8.33 4.39 0.00 2.79 2.73 0.00 0.00 6.99 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 0.00 665 Q 7.85 3.86 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 666 Y 7.36 3.75 0.00 2.11 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 0.00 667 L 7.45 4.18 0.00 1.81 1.66 1.18 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 7.81 4.22 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 7.61 4.90 0.00 2.79 2.64 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 0.00 670 S 8.22 4.61 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 2.00 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 8.52 4.47 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 P 0.00 4.20 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 1.68 0.00 837 D 7.97 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 8.43 4.40 0.00 1.71 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 4.77 0.00 1.83 1.49 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 840 P 0.00 4.33 0.00 2.07 2.03 0.00 3.85 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 8.66 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 F 7.66 4.58 0.00 3.08 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 7.00 4.30 0.00 1.46 1.50 0.00 1.10 0.00 0.00 1.51 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.99 7.81 844 M 8.17 4.54 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.85 0.00 845 Y 8.23 4.44 0.00 2.96 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 0.00 846 P 0.00 4.42 0.00 1.93 2.00 0.00 3.54 0.00 0.00 3.58 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 8.28 4.59 1.98 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 0.74 1.15 0.00 0.00 848 D 8.86 4.78 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 9.06 3.97 0.00 2.67 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 0.00 850 E 7.79 4.26 0.00 1.69 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 2.19 2.17 0.00 851 K 7.87 3.61 0.00 1.84 1.94 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.41 7.81 852 D 7.24 4.35 0.00 2.53 2.71 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 0.00 853 D 7.61 4.46 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 8.38 4.41 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 8.22 4.20 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 7.79 4.38 0.00 2.62 2.87 0.00 0.00 6.77 6.99 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 0.00 857 F 8.37 5.24 0.00 3.13 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 8.56 4.66 0.00 3.05 3.03 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 8.12 4.40 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 860 D 8.29 4.52 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 9.37 4.31 0.00 3.44 3.70 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 0.00 862 I 8.32 3.99 2.25 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.16 1.07 0.00 0.00 863 V 8.31 3.64 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 1.08 0.00 0.00 864 A 8.19 4.02 1.62 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 0.00 865 A 8.69 4.38 1.21 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 0.00 0.00 0.00 866 S 8.44 4.15 0.00 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 N 8.47 4.46 0.00 2.84 2.85 0.00 0.00 7.13 7.36 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 0.00 868 L 7.47 3.72 0.00 0.97 0.24 0.46 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 869 R 7.87 3.96 0.00 1.38 1.88 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 1.36 0.00 870 A 8.34 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.07 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 7.89 4.29 0.00 2.97 2.26 0.00 0.00 6.82 7.48 0.00 0.00 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 7.76 4.14 0.00 2.87 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 7.93 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 4.50 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.91 0.00 0.00 876 S 8.58 4.19 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 8.53 4.70 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 1.77 0.00 881 H 8.12 4.27 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 8.59 4.06 0.00 1.83 1.88 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 1.49 1.93 7.81 883 S 8.72 4.37 0.00 4.06 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 8.06 4.11 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 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 885 L 7.84 4.20 0.00 1.83 1.73 0.96 0.77 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 0.00 886 I 8.66 4.09 1.90 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 1.47 0.68 0.93 0.00 0.00 887 A 8.01 4.74 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.51 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 0.00 889 K 7.45 4.22 0.00 1.83 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 1.33 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.