NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 613 A 4.2581 8.2649 123.5710 51.4758 20.0741 176.3888 614 K 3.9572 8.3330 122.4947 55.3970 33.3338 172.5008 615 E 4.6006 9.5576 127.9076 55.9008 30.4174 175.5541 616 L 4.5222 8.9106 127.8910 53.7230 43.5704 176.0434 617 D 4.5482 8.4876 121.2240 53.0423 42.0116 177.2956 618 A 4.0493 8.6538 130.0281 54.9776 18.6587 179.1447 619 T 3.9722 8.0807 105.5374 64.2209 68.9806 174.9857 620 N 4.6282 8.3573 118.8121 53.5584 39.0915 173.9457 621 I 5.0089 7.5189 120.4563 59.3672 39.1810 175.2207 622 S 4.7105 9.0166 121.8224 56.5353 65.6145 173.0176 623 I 3.9861 8.4322 125.4088 60.9805 37.6848 173.6449 624 D 4.6230 9.1787 127.6812 54.4468 40.8810 175.9046 625 K 4.7659 7.4751 114.5956 54.7085 37.3227 176.0704 626 V 4.2073 8.4697 121.9179 63.4424 31.4816 175.9158 627 V 4.3362 8.6658 120.7408 61.5466 33.7939 175.3124 628 G 4.1635 7.5592 105.3177 46.2022 0.0000 171.8097 629 A 5.1291 8.7279 120.0850 50.6211 22.6710 176.2735 630 G 4.3219 9.0826 109.7287 43.6559 0.0000 172.9563 631 E 3.8400 8.8434 118.6468 58.5712 29.8146 178.1172 632 F 4.6705 9.2532 115.2925 56.8140 40.7284 176.0908 633 G 3.7968 6.4593 106.5425 46.0405 0.0000 171.6520 634 E 4.7552 8.1912 121.0027 55.4517 32.2162 175.4564 635 V 4.8875 8.7330 121.5821 61.5073 34.2839 174.3095 636 C 5.5119 9.2929 125.2463 57.9030 32.1314 173.5430 637 S 4.7459 8.7009 115.9325 58.1090 65.0003 174.1025 638 G 4.2016 7.3102 104.7558 46.6611 0.0000 171.9792 639 R 5.2303 8.3415 118.4602 54.2402 34.5803 174.3291 640 L 5.0531 8.8499 124.7288 53.1239 44.9389 174.8731 641 K 4.7281 8.9277 128.7602 55.1680 32.8570 176.5258 642 L 4.3879 9.0625 128.3773 53.3733 42.5515 176.4362 643 P 4.2765 0.0000 0.0000 65.7252 31.2412 178.1658 644 S 4.2156 7.8549 110.3491 59.0425 63.0727 175.0390 645 K 4.1126 8.2826 120.7327 56.0906 31.1209 176.7051 646 K 4.0098 7.6522 120.6310 56.5344 32.6371 174.7776 647 E 5.3070 8.6313 124.9626 54.5926 31.4821 175.2522 648 I 4.7203 8.5497 117.1486 58.8955 41.3814 174.8436 649 S 4.7729 8.6044 119.5898 58.7834 63.6769 173.9677 650 V 4.9179 8.6729 115.8237 59.7882 36.5373 174.0108 651 A 5.1826 8.9962 124.3232 50.8788 21.3067 176.3490 652 I 4.8845 9.0102 122.1398 59.5432 40.5605 174.6098 653 K 5.2805 9.2554 127.6121 54.8398 34.4465 175.5085 654 T 5.1332 8.3852 114.2840 59.5982 71.7330 172.9991 655 L 3.8414 8.2830 127.7425 54.0221 42.4886 176.6683 656 K 4.0403 8.8369 126.4784 57.1027 33.0453 177.0728 657 V 3.7136 8.3701 121.8515 64.3078 32.0552 175.8818 658 G 3.7856 8.7928 113.6220 46.2160 0.0000 173.3202 659 Y 4.4574 7.8089 116.7956 56.9297 38.6156 176.5616 660 T 4.3478 9.0581 112.8839 60.9350 71.4648 175.5626 661 E 4.0615 8.6876 121.9572 59.3853 29.5702 178.8266 662 K 3.9685 8.1230 119.1417 59.6832 32.2662 178.5842 663 Q 4.3331 8.3574 118.2720 59.0595 28.6227 178.7935 664 R 3.6996 8.2507 119.6805 59.3839 30.0533 178.5472 665 R 3.8709 8.2526 118.6344 59.5875 30.2181 178.2773 666 D 4.3538 8.3998 118.8904 57.1032 40.4067 178.4802 667 F 3.3365 7.8745 121.1891 61.2247 39.3218 177.3353 668 L 3.9782 8.1707 118.7125 57.2863 41.5004 179.6510 669 G 3.5578 8.3043 106.3882 47.7363 0.0000 175.3872 670 E 3.9688 8.0441 121.0960 58.9020 29.5746 178.7516 671 A 3.8725 7.4175 119.7012 55.1237 18.1757 179.5049 672 S 3.9272 7.9277 110.8340 61.3950 62.6694 176.3423 673 I 3.4631 7.4822 122.0935 64.4418 36.9451 177.8004 674 M 3.6209 7.8025 119.0988 58.6488 31.8066 178.2276 675 G 3.6798 7.9745 103.8424 46.6968 0.0000 174.8171 676 Q 3.9186 7.3517 119.0807 56.1881 29.1814 175.6641 677 F 5.1292 6.8946 118.9076 55.7519 40.8019 175.3741 678 D 4.6726 8.7335 123.2347 52.8595 42.2529 173.4641 679 H 4.6639 8.1596 123.8144 53.6805 32.9220 172.7309 680 P 4.3118 0.0000 0.0000 64.8559 31.4547 176.9662 681 N 5.0093 8.3642 114.7123 52.6548 39.1500 173.1793 682 I 4.9944 7.5034 118.5159 59.0694 40.1199 175.7444 683 I 3.9011 8.5409 127.6252 62.1827 37.8322 175.5450 684 R 4.2547 9.2564 127.9313 55.5811 31.4087 174.8551 685 L 4.4711 8.4767 128.9788 54.6398 41.9581 176.0624 686 E 4.1351 9.3127 127.8259 56.9628 30.4450 177.5612 687 G 3.9587 6.9220 105.6077 45.3323 0.0000 170.9339 688 V 4.7887 8.0057 111.7620 59.4023 35.5146 175.1862 689 V 4.7636 8.7087 121.9462 61.5895 32.5796 176.0411 690 T 4.4270 9.3009 117.1926 61.7214 70.4306 175.0346 691 K 4.3222 8.3437 119.3947 56.7320 32.4055 175.8932 692 S 4.7299 7.5494 112.3628 56.8584 66.0550 173.0403 693 K 4.8045 8.1885 119.3965 53.5288 35.0455 174.7968 694 P 4.4392 0.0000 0.0000 62.3486 32.1618 176.3585 695 V 3.9953 8.1060 120.4525 63.7067 32.6987 174.5584 696 M 5.5329 9.2048 125.6665 53.7430 36.7624 174.0867 697 I 4.6579 8.9774 122.5253 59.4551 40.5385 174.5735 698 V 4.9219 8.8166 127.4986 61.3229 33.7390 174.5129 699 T 5.3187 8.7608 117.6012 59.0807 72.5433 173.0367 700 E 4.3359 8.5875 120.5663 56.8273 30.1580 176.0875 701 Y 4.3834 8.6162 123.6348 57.8736 40.0938 174.8382 702 M 4.3242 7.7427 125.6741 53.0857 33.2842 175.9447 703 E 3.5412 8.4739 123.8216 58.6585 29.9206 178.1001 704 N 4.6201 7.7265 113.6087 52.1590 39.5882 177.2099 705 G 3.7399 7.6869 107.4744 46.4005 0.0000 173.3450 706 S 4.7090 8.3199 117.0608 57.8878 65.0085 174.7524 707 L 4.0780 8.7515 128.1156 58.1812 41.7760 179.2642 708 D 4.4314 8.1074 118.9776 56.7021 39.2299 178.6579 709 S 4.2302 8.0661 114.2972 60.6284 63.3909 175.7624 710 F 4.4469 8.4875 124.4080 61.4004 39.2285 177.2141 711 L 4.2018 8.4059 118.6872 57.8355 41.1628 179.7030 712 R 4.1172 7.8996 117.2519 58.9786 30.0342 178.7207 713 K 4.1150 7.6702 116.5546 57.9434 32.6116 176.6826 714 H 4.9194 7.9571 116.8023 53.3479 29.7486 173.0617 715 D 3.6664 8.1071 118.3152 55.5645 41.2978 175.3922 716 A 3.2362 5.8000 126.9428 52.9517 15.9015 177.5511 717 Q 4.1800 7.4400 116.4398 56.8720 29.5291 175.5961 718 F 5.1557 7.8123 116.8994 55.7659 41.4677 176.2167 719 T 4.3307 8.8989 113.7893 61.2853 70.7763 175.9961 720 V 3.6220 8.3452 121.2759 66.4978 31.5040 178.3957 721 I 3.7373 7.7472 118.9409 64.2688 37.0814 178.2481 722 Q 3.9544 8.2476 118.9930 59.0017 28.6060 178.8643 723 L 3.8908 7.9143 119.9345 57.8068 41.5517 179.8005 724 V 3.7196 8.2440 118.6971 65.8012 31.4260 178.2438 725 G 3.6119 8.2924 105.6877 47.9922 0.0000 175.5010 726 M 3.9961 7.8559 120.7164 58.2701 32.0230 178.9246 727 L 4.0910 7.9815 119.0091 57.7130 41.6932 179.6227 728 R 4.0317 8.5020 119.2727 59.2090 30.0463 178.6821 729 G 3.6575 8.0358 105.5430 47.9661 0.0000 175.6118 730 I 3.7190 7.7471 122.1775 64.0470 37.0966 178.4092 731 A 3.7899 8.2925 121.5664 55.0906 18.2212 179.6762 732 S 4.0910 8.3941 111.9443 61.4016 62.4740 176.5804 733 G 3.4430 8.1180 108.4494 48.1338 0.0000 175.6320 734 M 3.6547 7.8739 121.1396 57.4636 31.6262 178.7209 735 K 3.8921 7.9363 120.2285 59.6507 32.3626 178.2762 736 Y 4.1368 7.7682 119.5460 60.5039 38.7699 177.4390 737 L 3.5896 7.7930 121.6056 58.1271 42.1283 179.2078 738 S 4.3867 8.2030 114.3132 61.5924 62.8439 176.0075 739 D 4.4438 8.1361 121.7679 57.1425 40.6298 177.8419 740 M 4.3676 7.6202 116.4542 55.0899 32.3842 176.9448 741 G 3.8630 8.1804 108.2814 45.7302 0.0000 172.3331 742 Y 4.9571 7.7547 115.9096 55.7343 40.0831 175.3972 743 V 4.6252 8.4300 123.5209 61.2876 33.6551 175.8608 744 H 4.1829 9.9246 127.5124 58.4972 29.8460 177.6405 745 R 4.2973 8.6831 114.6295 56.6695 29.0561 175.6550 746 D 4.7793 7.8077 117.1478 53.2527 41.5076 175.5727 747 L 3.9296 8.2118 120.6285 54.6758 42.3533 175.1944 748 A 4.5692 7.9301 127.3299 50.4883 22.1170 176.4936 749 A 3.9926 9.3575 124.0149 55.1916 18.5531 180.2938 750 R 4.4565 7.7454 109.7055 57.6835 29.9742 176.6752 751 N 4.8486 8.2396 116.3256 52.9455 40.1646 173.6264 752 I 4.8496 7.6095 120.9071 59.5596 39.7913 174.8355 753 L 5.0461 8.5372 126.3576 53.1870 44.6599 175.3036 754 I 4.8830 8.3298 121.5053 59.4043 41.5062 174.8866 755 N 5.1089 8.4775 127.4418 51.3477 39.6941 175.8479 756 S 4.2470 8.8921 112.3015 60.9058 63.1065 174.5635 757 N 4.6852 8.1700 116.7603 52.7375 38.4415 174.9570 758 L 3.4839 7.7618 116.1373 55.1895 39.8811 174.3935 759 V 3.8111 7.8625 120.2974 62.9512 32.4355 174.5941 760 C 5.2443 8.5605 125.2778 58.2435 30.1886 173.3158 761 K 4.7397 8.7838 121.6439 54.3634 36.4034 175.9336 762 V 4.0464 8.7821 125.5080 63.2530 32.6378 175.2558 763 S 4.5086 7.9116 121.2853 58.1258 66.3214 172.1107 764 D 4.1141 8.4631 118.0479 55.3294 38.3344 172.7607 765 F 4.6295 9.2495 121.3082 56.6656 39.4292 178.6167 766 G 3.6981 8.2338 113.2588 48.0614 0.0000 175.1472 767 L 4.5245 7.6076 116.4664 54.3591 42.5522 176.6797 768 S 4.8348 7.7433 116.2514 58.8761 64.2223 173.5485 769 R 4.7815 8.8310 120.6846 54.3505 34.7425 174.8741 770 V 3.4732 8.1436 122.1634 62.6554 32.4697 175.5223 771 L 4.3802 8.5044 128.5135 54.5949 41.7060 176.1910 772 E 4.5155 8.6662 120.5396 55.8689 32.5669 173.5030 773 D 4.5767 8.5020 124.1379 53.7097 39.5136 174.6055 *785 K 4.0846 8.1355 116.1193 55.9308 33.9805 174.9259 786 I 4.0207 8.2328 119.5530 59.6409 38.7423 174.1794 787 P 4.6367 0.0000 0.0000 62.1261 30.7726 176.6074 788 I 3.7400 8.6619 126.2624 64.7262 37.2021 179.1577 789 R 3.7055 8.1649 117.1132 58.1261 30.1946 177.2701 790 W 4.7511 8.7040 116.2081 56.6921 29.9426 175.5382 791 T 4.7254 7.6055 116.3669 61.7588 69.5990 175.5927 792 S 2.7900 8.0518 120.2193 57.1035 64.9907 173.6877 793 P 3.8811 0.0000 0.0000 65.5920 31.0785 178.8796 794 E 3.9203 7.7518 115.7206 59.1296 29.6130 178.9274 795 A 3.3780 7.3369 121.5805 54.5945 18.0116 179.6671 796 I 3.5272 7.3294 117.3752 64.3307 37.2160 178.2857 797 A 4.2644 7.8697 120.9292 54.7470 17.0680 179.0666 798 Y 4.7366 7.9912 114.7838 56.7311 38.4821 175.2766 799 R 3.7274 7.6607 116.4761 58.0953 28.0191 177.4921 800 K 3.8689 6.3766 118.9219 55.1563 30.5565 174.3571 801 F 4.6909 8.2440 122.7458 55.5629 40.7751 175.5224 802 T 4.8162 8.7628 114.7007 59.1877 72.2235 174.8753 803 S 4.3619 8.7463 116.3285 61.5779 62.6592 176.7021 804 A 4.0993 7.9394 123.8349 54.7631 18.0435 179.7332 805 S 4.2973 8.0996 112.8720 61.6439 63.0926 176.4655 806 D 4.6865 8.3686 122.1947 57.1787 40.6638 178.6249 807 V 3.3831 8.0077 119.0312 65.4339 31.5344 177.6017 808 W 4.6399 8.2370 129.4715 60.2511 30.5061 178.0092 809 S 4.7863 8.5862 116.1835 61.3713 62.2809 176.0221 810 Y 4.2017 8.8623 122.6816 60.8001 38.5469 178.4610 811 G 3.3572 8.2915 106.5187 47.7963 0.0000 175.6921 812 I 4.0200 7.9534 121.6304 64.2831 37.0815 178.6195 813 V 3.9043 8.1738 119.2462 65.8872 31.3178 177.6344 814 L 3.7404 7.9511 120.4552 57.9527 41.8652 178.7964 815 W 4.1284 8.3141 128.1068 60.5259 30.6457 177.6196 816 E 3.9956 8.8788 118.9471 59.4665 28.9691 179.6334 817 V 3.4241 8.0383 118.3758 66.3411 31.4768 178.0564 818 M 4.0196 7.7706 116.3270 57.3508 31.8661 177.8011 819 S 4.3230 7.4561 114.2805 57.0673 63.3228 173.4858 820 Y 3.1692 8.5723 118.5323 59.1720 35.6635 171.3599 821 G 3.9719 8.6326 104.6768 45.4929 0.0000 173.8803 822 E 4.0928 7.3400 118.3940 55.8640 30.2470 176.5838 823 R 4.2404 8.6655 125.1612 55.1102 30.7911 174.0291 824 P 3.1770 0.0000 0.0000 63.9901 31.7512 175.5359 825 Y 2.7141 6.4899 118.1931 57.4049 36.4139 170.8803 826 W 3.4562 6.4440 122.5907 58.5394 28.9733 175.3141 827 E 4.7869 9.0308 123.2883 57.0217 29.3040 175.6482 828 M 4.1931 8.0411 118.3050 55.6004 32.8175 177.4696 829 S 4.2217 8.6015 117.8018 58.9654 64.8194 175.4954 830 N 4.2498 8.8600 123.1608 56.6446 38.3722 177.6165 831 Q 3.9618 8.0057 118.3724 59.4478 28.5706 178.3323 832 D 4.3201 7.8557 120.2744 56.7550 41.0705 178.6091 833 V 3.2390 7.7403 118.8982 65.8507 31.4281 178.1673 834 I 3.5063 7.6336 119.4052 64.2475 36.9777 178.4449 835 K 3.8882 8.0507 120.1589 59.2928 32.0394 178.7085 836 A 4.0111 8.2739 121.5155 55.2153 18.3401 179.7762 837 V 3.9126 7.5543 117.8720 65.7698 31.3902 177.6905 838 D 4.3435 7.8355 116.6128 57.3137 41.1525 177.4935 839 E 4.2776 8.2208 116.8603 57.0658 29.8823 177.5938 840 G 4.0638 8.2551 108.0731 44.9234 0.0000 173.1369 841 Y 4.6760 8.2128 118.2752 58.0448 39.1573 175.1129 842 R 4.5220 9.2005 121.0260 53.8244 35.0178 174.7175 843 L 3.9985 7.5885 120.9857 54.4813 41.9037 175.7692 844 P 4.7430 0.0000 0.0000 61.1449 32.4587 174.1910 845 P 3.9050 0.0000 0.0000 61.9670 31.7011 174.7589 846 P 4.3079 0.0000 0.0000 62.1258 31.9462 175.2796 847 M 4.1409 8.4933 119.6805 57.5721 32.2969 175.6653 848 D 4.3991 8.7373 124.4361 55.2676 38.9508 173.1407 849 C 4.2790 7.7891 119.0442 58.1574 32.2935 171.0201 850 P 4.6584 0.0000 0.0000 62.9740 32.5438 176.9790 851 A 4.0734 9.1213 124.2411 55.4827 18.3444 180.0300 852 A 3.9281 8.0042 118.5701 55.3691 18.4811 179.7026 853 L 3.9933 7.8273 116.9569 57.8342 41.8325 178.8199 854 Y 4.1072 8.1470 119.6535 60.5939 38.6680 177.5839 855 Q 3.7464 8.3880 120.8816 59.0609 29.0257 178.0887 856 L 3.7607 7.8106 121.2176 58.2431 42.1005 178.7298 857 M 2.9853 7.5238 118.4366 58.1273 31.5486 178.6896 858 L 3.7922 6.8864 117.3393 57.8329 41.8630 179.1467 859 D 4.3881 7.9747 118.8985 57.5530 40.6445 178.6327 860 C 4.1083 8.0255 117.3044 61.6445 27.6623 175.0195 861 W 4.0489 6.8636 118.8130 55.2201 29.5761 176.2870 862 Q 4.2059 7.3504 118.8466 55.8197 28.8018 176.6102 863 K 4.0575 9.0164 124.0451 59.5116 32.4937 176.4313 864 D 4.5890 8.0821 120.8698 53.2323 41.0321 176.5703 865 R 4.0136 8.7054 124.7069 59.2174 29.5544 178.6145 866 N 4.4539 8.4003 115.2036 55.5447 38.5424 175.4312 867 N 4.6830 8.0403 114.0155 53.4660 39.2226 175.7538 868 R 4.3262 7.5125 117.8953 54.8663 30.8016 174.8431 869 P 4.3717 0.0000 0.0000 62.5173 32.2517 176.8900 870 K 4.1709 8.1457 118.7965 55.7237 34.2784 178.2034 871 F 4.0632 8.4766 119.8748 60.8929 38.7923 177.5421 872 E 3.9568 8.2965 118.3284 59.5277 29.3277 178.8460 873 Q 4.0079 7.8855 117.5620 58.7922 28.8635 178.4717 874 I 3.6040 7.7357 120.9485 64.2676 37.0360 178.5051 875 V 3.5859 7.9224 119.1365 66.2396 31.3508 178.2469 876 S 4.1132 8.0502 114.7585 61.5949 62.6631 176.7111 877 I 3.6990 7.9945 122.7127 64.5067 36.8355 178.5687 878 L 4.0614 8.0570 119.7300 57.7712 41.4293 179.1936 879 D 4.3684 8.4534 119.2824 57.3364 40.7371 179.0131 880 K 3.9975 8.1589 118.9797 59.4376 32.1385 179.4351 881 L 4.0327 7.8311 118.8614 57.7886 41.2930 179.5981 882 I 3.8256 7.7411 119.0822 64.3901 37.1082 178.2206 883 R 4.1724 8.0561 118.6385 57.7619 31.4301 175.9953 884 N 4.9643 8.1731 117.1382 49.6859 38.9573 172.3535 885 P 4.5766 0.0000 0.0000 64.6905 31.5693 178.5501 886 G 3.7293 8.2152 105.1628 47.9801 0.0000 175.4267 887 S 4.2124 8.2412 117.0521 61.4076 62.5922 176.2111 888 L 4.2822 7.7310 119.7205 56.1342 41.5326 178.5761 889 K 4.2339 7.8826 119.4657 57.6816 32.4198 176.3333 890 I 4.1115 7.1456 120.2607 61.0627 37.8313 175.3425 891 I 5.0253 8.4208 127.7754 59.7073 39.8646 174.9930 892 T 4.9014 8.4360 113.9597 60.4321 71.6716 172.9562 893 S 4.4493 8.3502 115.5635 58.3128 66.2466 174.4115 894 A 4.5870 7.9223 120.1693 50.9842 18.9884 177.8466 895 A 3.9436 8.0441 125.2169 54.6819 19.1545 178.7966 896 A 4.6295 7.8158 117.0264 51.8215 19.2369 177.1838 897 R 4.2529 7.4600 115.3273 56.2531 30.1466 175.4410 898 P 4.4071 0.0000 0.0000 65.0648 31.6871 175.9846 899 S 4.7404 7.6075 111.3060 56.1041 66.3703 173.5484 900 N 4.4003 8.7803 118.8930 56.6968 38.8273 175.3281 901 L 4.6623 7.8045 116.0183 54.4620 43.0702 175.9381 902 L 4.8246 8.9615 124.2358 53.1401 44.3674 175.1389 903 L 3.8561 8.5865 128.8779 54.8892 42.8854 175.3614 904 D 4.7339 8.7881 127.8217 52.9658 41.6945 176.7888 905 Q 3.9449 9.0346 125.1565 59.3706 28.7520 176.8450 906 S 5.3605 8.1274 117.1265 58.1460 62.8413 174.2614 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 613 A 8.26 4.26 1.20 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 0.00 0.00 614 K 8.33 3.96 0.00 1.79 1.73 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.48 7.81 615 E 9.56 4.60 0.00 1.95 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 2.28 2.39 0.00 616 L 8.91 4.52 0.00 1.51 1.57 0.88 1.02 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 0.00 617 D 8.49 4.55 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 A 8.65 4.05 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 0.00 619 T 8.08 3.97 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 1.26 0.00 0.00 620 N 8.36 4.63 0.00 2.92 3.02 0.00 0.00 6.68 7.61 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 0.00 621 I 7.52 5.01 1.98 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 1.28 0.57 0.91 0.00 0.00 622 S 9.02 4.71 0.00 3.82 3.92 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 0.00 623 I 8.43 3.99 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 1.23 0.58 0.91 0.00 0.00 624 D 9.18 4.62 0.00 2.59 2.57 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 0.00 625 K 7.48 4.77 0.00 1.87 1.83 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.38 7.81 626 V 8.47 4.21 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 0.90 0.00 0.00 1.02 0.00 0.00 627 V 8.67 4.34 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 0.89 0.00 0.00 1.10 0.00 0.00 628 G 7.56 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 A 8.73 5.13 1.20 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 0.00 0.00 630 G 9.08 4.32 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 0.00 631 E 8.84 3.84 0.00 1.70 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 632 F 9.25 4.67 0.00 3.16 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 0.00 633 G 6.46 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 0.00 634 E 8.19 4.76 0.00 1.97 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 2.38 2.32 0.00 635 V 8.73 4.89 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 1.07 0.00 0.00 1.01 0.00 0.00 636 C 9.29 5.51 0.00 2.87 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 0.00 637 S 8.70 4.75 0.00 3.37 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 0.00 638 G 7.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 R 8.34 5.23 0.00 1.67 1.74 0.00 3.03 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 640 L 8.85 5.05 0.00 1.71 1.48 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 641 K 8.93 4.73 0.00 1.76 1.89 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.53 7.81 642 L 9.06 4.39 0.00 1.76 1.57 0.92 0.89 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 0.00 643 P 0.00 4.28 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 644 S 7.85 4.22 0.00 3.97 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 0.00 645 K 8.28 4.11 0.00 1.90 2.14 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.49 7.81 646 K 7.65 4.01 0.00 1.76 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 647 E 8.63 5.31 0.00 1.86 1.82 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 2.21 2.44 0.00 648 I 8.55 4.72 1.88 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 1.33 1.08 0.91 0.00 0.00 649 S 8.60 4.77 0.00 3.83 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 0.00 650 V 8.67 4.92 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 0.83 0.00 0.00 0.93 0.00 0.00 651 A 9.00 5.18 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 0.00 652 I 9.01 4.88 1.90 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 1.25 0.77 0.95 0.00 0.00 653 K 9.26 5.28 0.00 1.82 2.03 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.44 7.81 654 T 8.39 5.13 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 1.25 0.00 0.00 655 L 8.28 3.84 0.00 0.52 1.14 0.40 -0.09 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 0.00 656 K 8.84 4.04 0.00 1.77 1.91 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.50 7.81 657 V 8.37 3.71 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 0.80 0.00 0.00 0.96 0.00 0.00 658 G 8.79 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 0.00 0.00 0.00 659 Y 7.81 4.46 0.00 3.09 3.13 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 0.00 660 T 9.06 4.35 4.29 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 1.24 0.00 0.00 661 E 8.69 4.06 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 662 K 8.12 3.97 0.00 1.92 1.87 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.62 7.81 663 Q 8.36 4.33 0.00 2.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 664 R 8.25 3.70 0.00 1.80 2.14 0.00 3.11 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 1.58 1.42 0.00 665 R 8.25 3.87 0.00 1.94 2.08 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 1.64 1.68 0.00 666 D 8.40 4.35 0.00 2.95 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 0.00 667 F 7.87 3.34 0.00 2.10 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 0.00 668 L 8.17 3.98 0.00 1.74 1.61 0.89 0.76 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 0.00 669 G 8.30 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 0.00 0.00 0.00 670 E 8.04 3.97 0.00 2.15 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 2.33 2.53 0.00 671 A 7.42 3.87 1.17 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 0.00 672 S 7.93 3.93 0.00 3.86 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 0.00 673 I 7.48 3.46 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.37 0.00 0.00 674 M 7.80 3.62 0.00 2.16 2.16 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 2.83 2.59 0.00 675 G 7.97 3.68 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 0.00 0.00 0.00 676 Q 7.35 3.92 0.00 1.15 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 677 F 6.89 5.13 0.00 3.10 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 0.00 678 D 8.73 4.67 0.00 2.60 2.55 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 0.00 679 H 8.16 4.66 0.00 2.92 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.31 0.00 1.97 2.02 0.00 2.89 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 681 N 8.36 5.01 0.00 2.91 2.84 0.00 0.00 6.93 7.22 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 0.00 682 I 7.50 4.99 1.92 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 1.01 0.00 0.00 683 I 8.54 3.90 1.98 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 1.25 0.73 0.95 0.00 0.00 684 R 9.26 4.25 0.00 1.90 1.87 0.00 3.08 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 685 L 8.48 4.47 0.00 1.65 1.54 0.95 0.96 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 0.00 686 E 9.31 4.14 0.00 2.02 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 2.35 2.42 0.00 687 G 6.92 3.96 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 0.00 0.00 0.00 688 V 8.01 4.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.95 0.00 0.00 689 V 8.71 4.76 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 1.11 0.00 0.00 0.99 0.00 0.00 690 T 9.30 4.43 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 1.20 0.00 0.00 691 K 8.34 4.32 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.57 7.81 692 S 7.55 4.73 0.00 3.93 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 0.00 693 K 8.19 4.80 0.00 1.77 1.80 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 694 P 0.00 4.44 0.00 2.16 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 695 V 8.11 4.00 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 1.20 0.00 0.00 0.78 0.00 0.00 696 M 9.20 5.53 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 697 I 8.98 4.66 1.66 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.43 0.77 0.00 0.00 698 V 8.82 4.92 2.08 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 1.09 0.00 0.00 0.94 0.00 0.00 699 T 8.76 5.32 4.32 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 1.22 0.00 0.00 700 E 8.59 4.34 0.00 2.04 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 2.32 2.27 0.00 701 Y 8.62 4.38 0.00 2.92 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 0.00 702 M 7.74 4.32 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 703 E 8.47 3.54 0.00 1.91 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 2.41 2.62 0.00 704 N 7.73 4.62 0.00 2.33 1.80 0.00 0.00 7.03 7.68 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 0.00 705 G 7.69 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 0.00 706 S 8.32 4.71 0.00 3.90 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 0.00 707 L 8.75 4.08 0.00 1.81 1.87 0.98 1.40 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 0.00 708 D 8.11 4.43 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 0.00 709 S 8.07 4.23 0.00 4.11 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 0.00 710 F 8.49 4.45 0.00 3.41 3.35 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 0.00 711 L 8.41 4.20 0.00 1.83 1.83 0.85 0.99 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 0.00 712 R 7.90 4.12 0.00 2.00 2.02 0.00 3.22 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 713 K 7.67 4.12 0.00 1.54 1.50 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.56 7.81 714 H 7.96 4.92 0.00 2.93 2.62 0.00 5.64 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 715 D 8.11 3.67 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 A 5.80 3.24 1.09 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 0.00 802 T 8.76 4.82 4.29 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 1.22 0.00 0.00 803 S 8.75 4.36 0.00 3.99 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 0.00 804 A 7.94 4.10 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 0.00 805 S 8.10 4.30 0.00 4.13 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 0.00 806 D 8.37 4.69 0.00 3.28 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 0.00 807 V 8.01 3.38 2.11 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 0.83 0.00 0.00 0.03 0.00 0.00 808 W 8.24 4.64 0.00 3.74 3.44 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 0.00 809 S 8.59 4.79 0.00 4.43 4.49 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 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1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.81 0.00 819 S 7.46 4.32 0.00 3.16 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 820 Y 8.57 3.17 0.00 3.14 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 0.00 821 G 8.63 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 822 E 7.34 4.09 0.00 2.09 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 823 R 8.67 4.24 0.00 2.03 1.91 0.00 3.38 0.00 0.00 3.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 824 P 0.00 3.18 0.00 1.29 1.15 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.02 0.00 825 Y 6.49 2.71 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 W 6.44 3.46 0.00 3.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 827 E 9.03 4.79 0.00 2.03 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 2.35 2.32 0.00 828 M 8.04 4.19 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.68 0.00 829 S 8.60 4.22 0.00 3.97 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 0.00 830 N 8.86 4.25 0.00 2.78 2.84 0.00 0.00 6.86 7.85 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 0.00 831 Q 8.01 3.96 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 832 D 7.86 4.32 0.00 2.82 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 0.00 833 V 7.74 3.24 1.93 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 0.10 0.00 0.00 0.69 0.00 0.00 834 I 7.63 3.51 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.41 0.83 0.00 0.00 835 K 8.05 3.89 0.00 1.95 1.75 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 836 A 8.27 4.01 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 0.00 837 V 7.55 3.91 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 1.34 0.00 0.00 0.89 0.00 0.00 838 D 7.84 4.34 0.00 2.66 2.80 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 0.00 839 E 8.22 4.28 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 840 G 8.26 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 0.00 0.00 0.00 841 Y 8.21 4.68 0.00 3.07 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 0.00 842 R 9.20 4.52 0.00 1.79 1.80 0.00 3.21 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 843 L 7.59 4.00 0.00 0.64 0.29 -0.90 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 844 P 0.00 4.74 0.00 2.34 2.36 0.00 3.93 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 845 P 0.00 3.91 0.00 1.91 1.12 0.00 3.69 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 846 P 0.00 4.31 0.00 2.07 1.72 0.00 3.66 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.36 0.00 847 M 8.49 4.14 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 848 D 8.74 4.40 0.00 2.86 2.73 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 0.00 849 C 7.79 4.28 0.00 3.14 2.77 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 0.00 850 P 0.00 4.66 0.00 2.21 2.11 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 851 A 9.12 4.07 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 0.00 852 A 8.00 3.93 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 0.00 853 L 7.83 3.99 0.00 1.86 1.72 0.92 0.79 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 0.00 854 Y 8.15 4.11 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 Q 8.39 3.75 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 856 L 7.81 3.76 0.00 1.84 1.72 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 857 M 7.52 2.99 0.00 0.51 1.45 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.18 0.00 858 L 6.89 3.79 0.00 1.49 1.59 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.97 4.39 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 C 8.03 4.11 0.00 2.45 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 861 W 6.86 4.05 0.00 3.14 2.28 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 0.00 862 Q 7.35 4.21 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 863 K 9.02 4.06 0.00 1.81 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 864 D 8.08 4.59 0.00 2.75 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 0.00 865 R 8.71 4.01 0.00 2.07 2.22 0.00 3.03 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 866 N 8.40 4.45 0.00 2.90 2.94 0.00 0.00 6.99 7.28 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 0.00 867 N 8.04 4.68 0.00 2.86 2.86 0.00 0.00 7.02 8.16 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 0.00 868 R 7.51 4.33 0.00 1.91 1.83 0.00 3.38 0.00 0.00 3.65 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.65 0.00 869 P 0.00 4.37 0.00 2.05 1.97 0.00 3.72 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 1.82 1.87 0.00 870 K 8.15 4.17 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.46 7.81 871 F 8.48 4.06 0.00 3.06 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 0.00 872 E 8.30 3.96 0.00 2.07 1.97 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 2.39 2.43 0.00 873 Q 7.89 4.01 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 874 I 7.74 3.60 1.85 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.63 0.00 0.00 875 V 7.92 3.59 2.22 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 1.12 0.00 0.00 0.99 0.00 0.00 876 S 8.05 4.11 0.00 4.06 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 0.00 877 I 7.99 3.70 1.99 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 1.49 1.09 0.89 0.00 0.00 878 L 8.06 4.06 0.00 1.83 1.73 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 879 D 8.45 4.37 0.00 2.82 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 0.00 880 K 8.16 4.00 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 881 L 7.83 4.03 0.00 1.84 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 882 I 7.74 3.83 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 1.41 0.59 0.91 0.00 0.00 883 R 8.06 4.17 0.00 1.89 2.16 0.00 3.20 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 884 N 8.17 4.96 0.00 2.79 2.62 0.00 0.00 6.83 7.20 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 0.00 885 P 0.00 4.58 0.00 2.31 2.31 0.00 3.93 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 886 G 8.22 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 0.00 0.00 0.00 887 S 8.24 4.21 0.00 3.99 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 0.00 888 L 7.73 4.28 0.00 1.77 1.73 0.93 0.70 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 0.00 889 K 7.88 4.23 0.00 1.80 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 890 I 7.15 4.11 1.88 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 1.24 0.43 0.92 0.00 0.00 891 I 8.42 5.03 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 1.56 0.85 0.97 0.00 0.00 892 T 8.44 4.90 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 1.28 0.00 0.00 893 S 8.35 4.45 0.00 3.93 3.83 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 0.00 894 A 7.92 4.59 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 0.00 895 A 8.04 3.94 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 0.00 896 A 7.82 4.63 1.28 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 0.00 0.00 897 R 7.46 4.25 0.00 1.94 2.04 0.00 3.16 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 898 P 0.00 4.41 0.00 2.26 2.27 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 899 S 7.61 4.74 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 900 N 8.78 4.40 0.00 2.55 2.84 0.00 0.00 7.02 7.78 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 0.00 901 L 7.80 4.66 0.00 1.71 1.93 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 902 L 8.96 4.82 0.00 1.89 1.71 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 903 L 8.59 3.86 0.00 1.10 1.40 0.30 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.79 4.73 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 Q 9.03 3.94 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 906 S 8.13 5.36 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.