NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 608 K 4.2759 8.1727 122.0475 56.1610 33.8804 174.1268 609 E 4.4384 8.8644 129.6098 55.5404 30.3452 173.9358 610 I 4.3840 8.7737 129.0273 59.2771 39.3076 174.7604 611 D 4.1657 8.3974 127.2133 54.4484 41.4803 177.7809 612 V 3.5774 8.5472 125.6352 64.4133 31.5658 177.9512 613 S 4.3401 8.1017 114.1154 60.2627 63.0892 174.4023 614 Y 4.6800 8.1354 119.0006 58.5312 38.2399 174.8441 615 V 4.7863 7.5488 119.9317 60.6269 33.5036 174.3179 616 K 4.5983 8.9890 128.3689 54.6401 34.7813 174.6335 617 I 4.3375 8.4610 128.4637 61.0503 37.5581 175.0457 618 E 4.5005 9.1371 126.5342 57.7654 31.4109 176.1429 619 E 4.7061 7.6198 117.2075 54.9756 33.2400 174.1688 620 V 4.4974 8.4428 126.2386 62.5640 31.9991 175.4371 621 I 4.5078 8.6195 120.5054 60.5358 39.2297 174.8011 622 G 4.1653 7.4281 108.5898 46.1202 0.0000 171.7538 623 A 5.1094 8.7547 120.7098 50.1718 21.6003 176.1617 624 G 4.1700 9.4939 112.1411 43.2014 0.0000 173.5128 625 E 3.7374 8.8640 118.9382 58.5976 29.2928 177.6099 626 F 4.8881 9.0279 113.0907 56.1179 40.8170 176.2027 627 G 4.0405 6.8044 106.5405 45.9567 0.0000 171.7405 628 E 4.6003 7.3867 119.9490 55.9762 31.5503 175.9323 629 V 4.9391 8.5867 121.7708 61.5214 34.2602 174.3240 630 C 5.3770 9.3268 124.5726 58.0033 32.7046 172.9130 631 R 4.5584 8.8972 122.1443 55.7668 31.8048 175.8358 632 G 4.1107 8.1833 110.4596 45.8961 0.0000 171.5075 633 R 5.1591 8.8896 118.0082 54.1904 34.4010 174.5008 634 L 5.1832 8.9364 125.1909 53.1200 44.9448 174.9566 635 K 4.7635 9.3838 127.2546 54.7624 34.7776 175.1101 636 A 3.8335 8.2571 129.7551 48.7944 21.7182 173.3455 637 P 4.2360 0.0000 0.0000 64.5805 31.5720 177.1789 638 G 3.9687 9.1351 111.8132 44.8557 0.0000 172.9891 639 K 4.6416 7.3669 117.9309 53.9806 35.0792 176.3275 640 K 4.1756 8.2724 120.6596 55.9932 32.7419 176.6905 641 E 4.4559 8.4643 122.6345 56.5618 30.3238 175.9784 642 S 4.8454 8.8957 119.4303 56.6385 67.0859 172.7205 643 C 4.7897 8.6357 118.5983 59.8049 28.9128 173.4712 644 V 4.8526 8.6864 114.8765 59.7011 36.1839 174.3453 645 A 5.1050 8.8560 124.3040 51.1145 21.3069 176.5210 646 I 4.9855 8.9151 121.0335 59.6401 41.2415 174.5253 647 K 5.1949 9.2998 127.7684 55.1833 33.5911 175.8003 648 T 5.1876 8.7141 114.6746 59.7728 72.1348 173.0330 649 L 4.3762 8.3881 125.1040 53.4999 44.5137 175.8957 650 K 4.6067 8.4017 127.2991 54.7646 34.6723 176.6956 651 G 3.7090 8.6332 109.5971 46.9065 0.0000 173.7732 652 G 3.9845 8.5447 107.6394 45.0087 0.0000 173.7509 653 Y 4.6529 7.0625 117.3537 56.2819 39.4231 175.9803 654 T 4.2669 8.7698 112.5927 61.4256 71.3073 175.8358 655 E 4.0708 8.6860 121.3869 59.4641 29.4618 179.6123 656 R 3.9294 8.0050 118.5495 59.5644 30.2099 178.4659 657 Q 4.0040 8.1844 117.9021 58.8249 28.6612 178.4907 658 R 3.6189 8.3778 122.3917 60.1351 30.0133 179.4957 659 R 3.9416 8.0107 120.3520 61.1276 29.1667 180.3768 660 E 4.0772 8.0564 119.0417 59.0797 29.5158 178.1614 661 F 4.0271 8.0553 121.0751 61.6151 39.3529 177.2557 662 L 3.9249 8.2046 118.1408 57.0718 41.3999 179.4015 663 S 4.1027 8.1757 114.8779 61.4002 62.5543 176.2375 664 E 4.1524 8.0551 123.3576 58.4882 29.3029 178.7150 665 A 3.8461 7.6707 120.3276 55.1550 18.3254 179.4454 666 S 3.9503 7.6437 112.5370 61.7927 63.1466 176.9630 667 I 3.4681 7.6185 122.0986 64.6337 36.9509 178.1906 668 M 3.6645 7.9510 119.7422 58.4510 31.5613 179.0755 669 G 3.5700 7.7628 104.2287 47.0538 0.0000 175.0241 670 Q 3.9883 7.4930 118.9975 56.0844 29.1479 175.7006 671 F 5.3292 6.8116 118.2528 55.7547 41.6918 175.1660 672 E 4.3493 8.7604 124.4979 56.0187 31.4236 174.0388 673 H 4.2617 8.0332 123.3764 54.3400 32.4673 172.8028 674 P 4.3208 0.0000 0.0000 64.8972 31.4379 176.5865 675 N 4.9529 8.2584 116.1548 52.8146 39.0082 173.2853 676 I 4.9159 7.4907 118.7858 59.0052 40.3380 175.4268 677 I 3.8879 8.5342 127.7661 61.6155 38.6123 174.9815 678 R 4.3598 9.1803 130.3709 55.2781 31.5021 174.7961 679 L 4.4473 8.4120 128.7210 55.0722 42.3302 176.0393 680 E 4.2297 9.3484 126.5807 57.0232 30.7526 176.6264 681 G 4.0063 6.9228 103.4116 46.6649 0.0000 171.5625 682 V 5.0363 8.2067 111.9275 59.5515 36.6186 175.3539 683 V 4.8172 8.9851 123.3052 61.7830 32.8186 175.9184 684 T 4.3771 9.9060 118.2140 62.0957 70.6369 174.9995 685 N 4.7501 8.3801 117.9440 52.9110 38.4388 173.9884 686 S 4.5285 7.5207 111.6217 57.7130 65.7330 172.9035 687 M 4.6527 8.2546 122.9520 52.8448 33.8756 173.6195 688 P 4.6396 0.0000 0.0000 62.1349 33.0614 175.9824 689 V 4.0186 7.9580 121.3151 63.5374 32.7207 174.8200 690 M 5.5735 9.2790 125.6016 53.8438 36.9512 173.9452 691 I 4.7841 8.7733 122.0947 59.4857 40.5121 174.4362 692 L 5.3953 8.8627 126.9311 53.1962 44.5991 175.7595 693 T 5.2485 8.7916 112.9638 59.1196 72.8613 172.8466 694 E 4.4129 8.7379 120.0437 57.0337 30.1730 176.1341 695 F 4.8860 8.7198 123.0021 57.1066 41.3330 175.0291 696 M 4.1618 7.8322 125.7595 53.2331 32.2162 176.1442 697 E 3.2501 8.2201 124.4639 58.9451 29.7212 178.2471 698 N 4.4868 7.8329 113.1801 52.2695 39.5141 177.2768 699 G 3.6967 7.6212 107.4437 45.5762 0.0000 172.7949 700 A 4.5147 8.3027 121.9065 51.8619 20.0989 178.4117 701 L 4.0438 9.0245 126.6317 58.0824 42.0809 179.3894 702 D 4.4296 8.1284 119.0051 56.6513 39.4767 178.6548 703 S 4.2091 8.1171 115.7689 60.8362 62.9504 175.8796 704 F 4.3045 8.3941 123.6468 61.2182 39.4919 176.8502 705 L 4.2954 8.4945 118.8276 57.8048 41.2181 179.6173 706 R 4.1034 7.9967 117.2718 59.2302 30.0859 178.4890 707 L 4.0970 7.9909 119.1600 57.0756 42.4195 177.1817 708 N 4.6178 7.5494 115.7922 51.9790 39.1811 173.9392 709 D 3.9036 7.9755 117.7814 55.7361 41.3978 176.2182 710 G 3.2758 5.3800 113.1911 45.9218 0.0000 173.6091 711 Q 4.2060 7.2405 116.9468 55.2658 29.6306 175.5627 712 F 5.3572 7.7915 116.5579 55.4926 41.8427 175.8758 713 T 4.3253 8.9551 115.1160 61.1683 70.7719 175.9741 714 V 3.5859 8.3756 120.6669 66.4581 31.3712 178.1343 715 I 3.7256 7.7479 118.8491 64.4056 36.9900 178.1921 716 Q 3.9716 8.1236 118.8948 59.0792 28.4921 178.9879 717 L 3.9473 8.1344 120.0078 57.7246 41.5111 179.8046 718 V 3.6673 8.2802 118.8514 65.7398 31.4693 178.1752 719 G 3.6798 8.2861 105.7112 48.1303 0.0000 175.4748 720 M 4.0461 8.0018 121.0675 58.2291 31.9740 178.8904 721 L 4.0988 8.1725 119.2639 57.7684 41.7006 179.6863 722 R 4.0272 8.4425 119.3050 59.2023 30.0525 178.7177 723 G 3.6445 8.1899 105.5550 47.9549 0.0000 175.6086 724 I 3.7437 7.9638 122.4066 64.1247 37.2088 178.5051 725 A 3.6715 8.3949 121.5842 54.8931 18.0750 179.6998 726 S 4.1738 8.2821 112.2278 61.2215 62.4940 176.3779 727 G 3.5323 8.0869 108.5055 48.2577 0.0000 175.5691 728 M 3.6989 7.9440 121.6919 57.4561 31.7300 178.5356 729 R 3.8984 8.0622 119.3659 59.7781 30.1903 177.6833 730 Y 3.9727 7.9487 118.8544 60.7988 38.6812 178.1652 731 L 3.5911 7.8677 119.4835 57.6966 41.7160 179.4721 732 A 4.0402 8.1779 120.9113 54.9697 18.1014 179.2777 733 E 3.9079 8.0283 117.2343 59.3931 29.7399 178.0466 734 M 4.2488 7.5284 115.8538 54.3777 32.2688 176.0859 735 S 3.7315 7.8674 114.1609 59.7477 61.2711 171.5120 736 Y 4.5839 8.2350 120.6894 55.7546 39.9985 174.5275 737 V 4.3202 7.6064 127.0604 61.4872 33.0233 174.8289 738 H 4.2257 9.8915 128.1637 59.1834 29.8726 177.6441 739 R 4.3766 8.7342 115.0618 56.5996 29.2445 175.7506 740 D 4.8780 7.8518 117.2806 53.2289 41.5392 175.3197 741 L 3.9584 8.2713 120.3783 54.7184 42.8177 175.2528 742 A 4.5664 8.0526 126.5690 50.8181 22.0119 176.4246 743 A 4.0481 9.5516 124.4234 55.2561 18.5854 180.6808 744 R 4.2450 7.8681 110.2845 58.2822 29.5920 176.9734 745 N 4.6814 8.2108 115.1992 52.9815 38.9406 173.6262 746 I 4.8147 7.7316 121.0195 59.6889 39.3048 174.7794 747 L 5.1299 8.8169 126.9072 53.0061 44.8551 175.5775 748 V 4.7027 8.0952 121.3775 61.1963 34.6922 175.2439 749 N 4.9732 8.5591 125.8832 51.6027 39.5535 176.0434 750 S 4.0922 8.7875 113.7775 61.4875 62.9321 175.0865 751 N 4.6161 8.1908 115.4739 52.6479 38.3085 175.1124 752 L 3.4729 7.7661 116.4506 55.2427 39.9320 174.4734 753 V 3.7300 7.8565 120.3695 63.1706 32.3514 174.6366 754 C 5.0609 8.5733 125.5573 58.5284 29.7013 173.2543 755 K 4.7748 8.9544 122.1366 54.4061 36.3876 175.8703 756 V 4.1543 8.8949 125.1063 63.0015 32.7459 175.0496 757 S 4.7575 8.4068 121.3273 57.4347 66.7146 170.8077 758 D 4.4413 8.9222 121.0664 54.0417 37.7853 171.8791 759 F 4.9386 8.3888 122.1119 54.7201 41.9310 175.2308 760 G 4.1649 7.8992 112.2540 45.7489 0.0000 172.9613 761 L 4.6129 8.5026 120.4777 54.1215 42.5815 176.9529 762 S 4.2790 7.7687 115.3036 57.8811 63.4373 174.4906 763 R 3.9513 8.2656 123.0993 56.1636 30.5908 176.8018 764 F 4.6220 9.0818 122.3614 57.7984 39.4515 177.3209 765 L 4.0808 9.2115 123.3568 57.6396 40.7823 180.7779 766 E 3.9579 8.2252 116.5058 58.9906 29.7865 178.0522 767 E 4.2709 8.3960 118.4978 58.9587 30.1872 176.8830 768 N 4.8194 7.3557 117.0515 52.1550 40.3563 174.3476 769 S 4.1581 9.1289 114.5563 60.5507 63.3173 175.5161 770 S 4.1154 7.9101 119.0974 61.1224 63.6452 175.3723 771 D 4.7826 7.5818 119.7352 53.8109 40.9009 177.3828 *779 G 3.6232 8.1955 106.1115 44.5453 0.0000 174.7152 780 G 3.8704 7.9788 108.8043 44.3733 0.0000 173.1071 781 K 4.7362 8.2039 117.1439 55.1119 33.2005 177.0119 782 I 2.5455 7.9966 122.6303 60.5568 37.4729 175.8758 783 P 4.6130 0.0000 0.0000 61.4881 29.9887 176.3994 784 I 3.6223 8.3198 128.1955 65.3798 37.3438 178.7625 785 R 3.7896 8.0723 116.5126 57.9706 29.7666 177.2643 786 W 4.6845 8.6646 116.8058 56.8976 29.8778 175.7369 787 T 4.6314 7.5113 115.5084 61.5099 69.9733 175.1102 788 A 2.5800 7.9966 126.7446 50.5864 20.4470 177.1102 789 P 3.7689 0.0000 0.0000 65.8033 31.2726 178.8756 790 E 3.5836 7.7401 116.4797 58.7050 29.6072 178.8736 791 A 3.7592 7.3390 122.8393 54.0708 18.2141 179.4280 792 I 3.4049 7.1625 117.1296 64.3822 37.2703 178.2353 793 A 3.7944 7.3362 119.9202 54.3566 16.8949 178.7792 794 F 4.9573 7.5503 113.0808 56.1562 40.0034 176.3301 795 R 3.8059 7.6535 116.1702 56.7964 28.3651 176.6136 796 K 4.2690 7.2531 117.9694 55.5380 31.3526 175.8202 797 F 4.6794 8.6900 123.4590 56.1540 40.4444 176.2508 798 T 4.8481 9.1477 115.5852 59.3883 73.3809 175.0156 799 S 4.3706 8.7029 115.6994 61.5692 62.5547 176.7327 800 A 4.0804 8.0989 123.5872 54.9202 18.2015 179.6084 801 S 4.2667 8.2369 113.1152 61.6476 63.1490 176.3944 802 D 4.6858 8.6163 122.4054 57.2660 40.5670 178.5143 803 A 3.9138 8.3302 121.3923 54.7579 18.3580 179.2455 804 W 4.5684 8.0885 128.1133 60.4706 30.7500 178.2385 805 S 4.8431 8.7445 116.2651 61.4569 62.3537 176.1449 806 Y 4.2813 9.0641 122.7452 60.6978 38.5386 178.3898 807 G 3.3480 8.3857 106.7169 47.7487 0.0000 175.7338 808 I 4.0100 8.0276 121.7352 64.1850 37.0693 178.5564 809 V 3.9026 8.2825 119.4059 66.3658 31.2242 177.6098 810 M 3.7957 8.0519 118.7244 58.3987 31.9377 178.6483 811 W 4.0239 8.2928 128.0273 60.4734 30.8743 177.7453 812 E 4.0532 8.8364 118.9728 59.4158 28.9496 179.6425 813 V 3.4195 7.9948 118.3306 66.3112 31.5161 177.9882 814 M 4.0080 7.9675 116.6281 56.9251 31.7733 177.6717 815 S 4.3479 7.2065 112.7755 56.7150 64.0258 173.7120 816 F 3.4784 8.6147 119.7144 59.0675 36.6029 175.8652 817 G 3.9143 8.6483 103.8910 46.0634 0.0000 173.9081 818 E 4.1775 7.5444 119.3512 55.3076 30.4384 176.3440 819 R 4.2025 8.5032 123.5134 55.0422 30.6749 174.1661 820 P 3.1750 0.0000 0.0000 64.0373 31.7594 175.6446 821 Y 3.3531 6.5964 117.8475 57.5247 36.4645 171.1341 822 W 3.4661 6.6004 123.5559 58.3119 29.2563 175.0532 823 D 4.8584 9.1568 125.9262 54.1312 38.9546 176.1757 824 M 4.1430 8.0390 120.1914 55.7922 32.6468 177.1020 825 S 4.4236 8.6079 117.4991 57.8119 65.5049 175.2156 826 N 4.1521 8.5983 120.0392 56.7868 38.2895 177.4325 827 Q 3.8971 7.9280 120.1756 59.1084 29.1056 177.6780 828 D 4.2637 8.1866 120.1455 57.2154 40.7815 178.9693 829 V 3.1402 7.6415 118.5819 65.8554 31.5678 178.0891 830 I 3.4874 7.4640 119.4170 64.4884 36.9438 178.2599 831 N 4.2677 8.1654 116.9859 56.0208 38.3557 177.3273 832 A 3.9508 8.0963 122.3878 55.3116 18.5381 179.6771 833 I 3.9220 7.8069 118.3198 64.7150 36.9847 178.3392 834 E 4.0137 7.9221 118.5302 58.5370 29.4118 177.5587 835 Q 4.5442 7.7794 116.7141 55.8082 30.1811 176.3102 836 D 4.7379 8.0920 118.2589 54.4685 39.4411 174.2432 837 Y 4.2754 7.9212 120.8204 57.6105 39.3601 175.2564 838 R 4.2333 7.0575 123.6736 53.6101 34.2605 175.0606 839 L 3.6211 7.3850 120.8663 54.5317 41.8907 175.7398 840 P 4.6992 0.0000 0.0000 61.0381 32.5112 174.0930 841 P 4.3547 0.0000 0.0000 62.0314 31.8583 174.7041 842 P 4.4609 0.0000 0.0000 61.2961 32.0212 173.8705 843 P 4.4245 0.0000 0.0000 64.6193 31.4363 176.6462 844 D 4.4587 8.8924 120.2810 54.7195 38.5746 173.3598 845 C 4.2209 7.9545 120.7148 58.1639 32.1470 172.1279 846 P 4.4557 0.0000 0.0000 63.4966 32.4575 177.3286 847 T 3.9245 9.0455 119.9651 66.8351 68.4254 176.9450 848 S 4.2261 8.0824 115.6195 61.4621 62.7719 176.6011 849 L 3.9092 7.7945 121.9994 57.8065 41.4541 178.5947 850 H 4.0497 8.1168 118.1116 59.2719 29.7521 177.0537 851 Q 3.7773 8.5342 121.7848 58.9768 28.8330 177.9020 852 L 3.9541 7.7530 121.3524 58.2573 42.0415 178.7017 853 M 3.1236 7.7857 118.6865 58.2355 31.5782 178.7139 854 L 3.8239 7.1503 117.3415 57.7340 41.8483 179.1651 855 D 4.3973 7.8830 118.7432 57.6432 40.6765 178.5985 856 C 4.0597 7.8484 117.0995 61.9129 27.6826 175.0454 857 W 3.8811 6.9071 118.6480 55.3317 29.4726 176.4519 858 Q 4.2360 7.2668 118.7760 55.7663 28.7651 176.8017 859 K 4.1475 8.8912 123.4552 59.4013 32.6375 176.4106 860 D 4.5874 8.1127 119.9956 53.3046 40.9690 176.4648 861 R 4.0250 8.7607 124.7775 59.3605 29.5126 178.5603 862 N 4.4072 8.5259 114.6686 55.1756 38.5975 175.6551 863 A 4.3434 7.8971 119.9151 52.9002 19.3785 178.0007 864 R 4.3367 7.4449 115.3467 54.8919 30.7529 174.9485 865 P 4.4157 0.0000 0.0000 62.7634 32.1902 177.1049 866 R 4.1186 8.7487 120.1863 55.4141 32.3285 178.0716 867 F 4.1494 8.4164 118.5977 60.2269 38.8369 176.1446 868 P 4.2784 0.0000 0.0000 65.7619 31.1426 178.6063 869 Q 3.9883 7.9580 116.4026 58.6459 28.7302 178.5428 870 V 3.5182 7.7047 119.3808 66.0220 31.5621 178.2287 871 V 3.5981 7.9545 117.9723 66.1473 31.3826 177.9924 872 S 4.1208 8.2281 114.6324 61.5824 62.6641 176.6528 873 A 3.9813 8.0815 123.2292 55.2517 18.1938 179.7573 874 L 3.9810 8.0315 117.5080 57.9802 41.6965 179.4110 875 D 4.3988 8.5918 119.3305 57.2713 40.7276 179.0589 876 K 3.9750 8.1477 118.8924 59.6789 31.8554 179.1018 877 M 4.0285 7.7524 117.6454 58.6712 31.9974 178.5918 878 I 3.8603 7.5625 118.2987 64.5437 37.3905 178.5417 879 R 4.1494 8.0116 117.2152 57.6396 31.4413 176.5663 880 N 5.1239 7.9075 115.7765 50.8296 39.0514 173.6691 881 P 4.3749 0.0000 0.0000 65.4911 31.9074 178.0609 882 A 3.9738 8.2161 120.8256 55.5251 18.2418 179.4158 883 S 4.0979 8.0896 112.2146 61.5475 62.6450 176.1911 884 L 4.3149 7.7873 120.2683 55.9186 41.5650 178.1931 885 K 4.0565 7.9241 118.6633 58.8959 32.4716 177.3979 886 I 3.9415 7.4342 119.8864 60.9072 37.0608 175.1936 887 V 4.6240 8.0017 124.1039 60.4308 34.7183 174.9749 888 A 4.1799 8.5162 125.7539 52.5460 18.2307 177.6026 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 608 K 8.17 4.28 0.00 1.84 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 609 E 8.86 4.44 0.00 2.06 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 2.25 2.42 0.00 610 I 8.77 4.38 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.97 0.00 0.00 611 D 8.40 4.17 0.00 1.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 V 8.55 3.58 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.92 0.00 0.00 613 S 8.10 4.34 0.00 4.06 4.01 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 0.00 614 Y 8.14 4.68 0.00 3.05 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 0.00 615 V 7.55 4.79 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 0.77 0.00 0.00 0.97 0.00 0.00 616 K 8.99 4.60 0.00 1.90 1.60 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.25 7.81 617 I 8.46 4.34 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 1.35 0.68 0.91 0.00 0.00 618 E 9.14 4.50 0.00 1.88 1.92 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 2.21 2.17 0.00 619 E 7.62 4.71 0.00 1.99 1.71 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 2.30 2.30 0.00 620 V 8.44 4.50 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 0.93 0.00 0.00 1.05 0.00 0.00 621 I 8.62 4.51 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.96 0.99 0.00 0.00 622 G 7.43 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 0.00 623 A 8.75 5.11 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 0.00 624 G 9.49 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 0.00 625 E 8.86 3.74 0.00 1.78 1.81 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 1.47 1.86 0.00 626 F 9.03 4.89 0.00 3.16 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 0.00 627 G 6.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 E 7.39 4.60 0.00 1.82 1.91 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 2.34 2.28 0.00 629 V 8.59 4.94 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 1.11 0.00 0.00 1.00 0.00 0.00 630 C 9.33 5.38 0.00 2.85 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 0.00 631 R 8.90 4.56 0.00 1.61 1.58 0.00 2.48 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 632 G 8.18 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 0.00 633 R 8.89 5.16 0.00 1.68 1.75 0.00 3.45 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 1.59 0.00 634 L 8.94 5.18 0.00 1.74 1.49 1.08 0.74 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 0.00 635 K 9.38 4.76 0.00 1.64 1.60 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.28 7.81 636 A 8.26 3.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 1.97 1.97 0.00 3.14 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 638 G 9.14 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 0.00 639 K 7.37 4.64 0.00 2.03 1.65 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.23 7.81 640 K 8.27 4.18 0.00 1.98 1.72 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 0.99 7.81 641 E 8.46 4.46 0.00 1.95 1.83 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 2.27 2.38 0.00 642 S 8.90 4.85 0.00 3.89 3.88 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 0.00 643 C 8.64 4.79 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 0.00 644 V 8.69 4.85 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 0.75 0.00 0.00 0.92 0.00 0.00 645 A 8.86 5.11 1.43 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 0.00 0.00 646 I 8.92 4.99 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 0.70 0.96 0.00 0.00 647 K 9.30 5.19 0.00 1.75 2.04 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.44 7.81 648 T 8.71 5.19 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 0.00 649 L 8.39 4.38 0.00 0.27 0.58 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 650 K 8.40 4.61 0.00 1.71 1.79 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 651 G 8.63 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 0.00 652 G 8.54 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 0.00 0.00 0.00 653 Y 7.06 4.65 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 T 8.77 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 655 E 8.69 4.07 0.00 2.03 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 0.00 2.44 2.33 0.00 656 R 8.00 3.93 0.00 2.00 1.97 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.29 0.00 657 Q 8.18 4.00 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 658 R 8.38 3.62 0.00 1.88 2.14 0.00 3.38 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 659 R 8.01 3.94 0.00 1.87 1.92 0.00 3.32 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 660 E 8.06 4.08 0.00 2.08 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 0.00 2.53 2.51 0.00 661 F 8.06 4.03 0.00 2.30 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 0.00 662 L 8.20 3.92 0.00 1.77 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 663 S 8.18 4.10 0.00 4.02 4.21 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 0.00 664 E 8.06 4.15 0.00 2.07 1.91 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 2.31 2.41 0.00 665 A 7.67 3.85 1.22 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 0.00 666 S 7.64 3.95 0.00 3.91 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 0.00 667 I 7.62 3.47 1.80 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.61 0.00 0.00 668 M 7.95 3.66 0.00 1.92 2.05 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 2.82 2.48 0.00 669 G 7.76 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 0.00 670 Q 7.49 3.99 0.00 1.07 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 671 F 6.81 5.33 0.00 2.93 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 0.00 672 E 8.76 4.35 0.00 1.89 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 2.16 2.20 0.00 673 H 8.03 4.26 0.00 1.72 2.44 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.32 0.00 2.12 2.06 0.00 3.08 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 675 N 8.26 4.95 0.00 2.91 2.89 0.00 0.00 6.91 7.25 0.00 0.00 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 I 7.49 4.92 1.75 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 0.89 0.64 0.91 0.00 0.00 677 I 8.53 3.89 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 1.19 0.00 0.00 678 R 9.18 4.36 0.00 1.90 1.81 0.00 3.11 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 679 L 8.41 4.45 0.00 1.61 1.49 0.93 0.93 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 0.00 680 E 9.35 4.23 0.00 2.00 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 2.32 2.42 0.00 681 G 6.92 4.01 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 0.00 0.00 0.00 682 V 8.21 5.04 2.07 0.00 0.00 0.00 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 0.97 0.00 0.00 683 V 8.99 4.82 2.09 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 1.07 0.00 0.00 1.00 0.00 0.00 684 T 9.91 4.38 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 1.21 0.00 0.00 685 N 8.38 4.75 0.00 2.71 2.85 0.00 0.00 6.64 7.57 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 0.00 686 S 7.52 4.53 0.00 3.75 3.67 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 0.00 687 M 8.25 4.65 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 688 P 0.00 4.64 0.00 2.13 2.02 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 689 V 7.96 4.02 1.77 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 1.03 0.00 0.00 0.84 0.00 0.00 690 M 9.28 5.57 0.00 1.99 1.90 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 2.74 2.54 0.00 691 I 8.77 4.78 1.71 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.80 0.00 0.00 692 L 8.86 5.40 0.00 1.74 1.56 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 693 T 8.79 5.25 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 1.22 0.00 0.00 694 E 8.74 4.41 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 695 F 8.72 4.89 0.00 2.84 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 696 M 7.83 4.16 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 697 E 8.22 3.25 0.00 1.77 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 2.41 2.50 0.00 698 N 7.83 4.49 0.00 2.21 1.66 0.00 0.00 7.05 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 0.00 699 G 7.62 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 0.00 0.00 0.00 700 A 8.30 4.51 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 0.00 701 L 9.02 4.04 0.00 1.82 1.92 1.04 1.05 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 0.00 702 D 8.13 4.43 0.00 3.02 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 0.00 703 S 8.12 4.21 0.00 4.16 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 0.00 704 F 8.39 4.30 0.00 3.24 3.40 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 0.00 705 L 8.49 4.30 0.00 2.01 1.86 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 706 R 8.00 4.10 0.00 2.00 2.03 0.00 3.23 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 707 L 7.99 4.10 0.00 1.72 1.83 0.91 0.93 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 P 0.00 3.77 0.00 1.96 1.97 0.00 2.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 790 E 7.74 3.58 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 791 A 7.34 3.76 0.78 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 0.00 0.00 792 I 7.16 3.40 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.72 0.00 0.00 793 A 7.34 3.79 0.27 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 0.00 794 F 7.55 4.96 0.00 3.12 2.89 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 0.00 795 R 7.65 3.81 0.00 2.07 2.25 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 796 K 7.25 4.27 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.57 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4.50 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 0.00 806 Y 9.06 4.28 0.00 3.49 3.41 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 0.00 807 G 8.39 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 0.00 0.00 0.00 808 I 8.03 4.01 2.28 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.20 0.50 0.00 0.00 809 V 8.28 3.90 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 1.08 0.00 0.00 1.15 0.00 0.00 810 M 8.05 3.80 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 811 W 8.29 4.02 0.00 3.59 3.38 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 0.00 0.00 0.00 812 E 8.84 4.05 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.82 0.00 813 V 7.99 3.42 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 0.88 0.00 0.00 0.95 0.00 0.00 814 M 7.97 4.01 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 815 S 7.21 4.35 0.00 3.49 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 0.00 816 F 8.61 3.48 0.00 3.19 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 0.00 817 G 8.65 3.91 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 0.00 0.00 0.00 818 E 7.54 4.18 0.00 1.88 1.65 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 2.66 2.41 0.00 819 R 8.50 4.20 0.00 1.99 1.86 0.00 3.34 0.00 0.00 3.49 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 820 P 0.00 3.18 0.00 1.34 1.06 0.00 3.72 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 1.12 1.94 0.00 821 Y 6.60 3.35 0.00 2.95 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 0.00 822 W 6.60 3.47 0.00 3.65 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 0.00 0.00 0.00 823 D 9.16 4.86 0.00 2.84 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 0.00 824 M 8.04 4.14 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 825 S 8.61 4.42 0.00 4.04 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 0.00 826 N 8.60 4.15 0.00 2.70 2.84 0.00 0.00 6.46 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 0.00 827 Q 7.93 3.90 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 828 D 8.19 4.26 0.00 2.88 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 0.00 829 V 7.64 3.14 1.83 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 -0.04 0.00 0.00 0.49 0.00 0.00 830 I 7.46 3.49 1.88 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 1.32 0.90 0.76 0.00 0.00 831 N 8.17 4.27 0.00 2.66 2.80 0.00 0.00 6.96 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 0.00 832 A 8.10 3.95 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 0.00 833 I 7.81 3.92 1.79 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 1.02 0.00 0.00 834 E 7.92 4.01 0.00 1.91 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 2.28 2.38 0.00 835 Q 7.78 4.54 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.56 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 836 D 8.09 4.74 0.00 2.93 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 0.00 837 Y 7.92 4.28 0.00 2.95 2.95 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 0.00 838 R 7.06 4.23 0.00 1.65 1.72 0.00 3.28 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 839 L 7.38 3.62 0.00 0.80 0.65 -1.30 -0.36 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 0.00 840 P 0.00 4.70 0.00 2.35 2.21 0.00 4.06 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 841 P 0.00 4.35 0.00 2.16 1.96 0.00 3.76 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 1.95 1.86 0.00 842 P 0.00 4.46 0.00 2.08 1.58 0.00 3.53 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 0.00 843 P 0.00 4.42 0.00 2.04 2.02 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 844 D 8.89 4.46 0.00 2.86 2.82 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 0.00 845 C 7.95 4.22 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 846 P 0.00 4.46 0.00 2.18 2.12 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 847 T 9.05 3.92 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 1.23 0.00 0.00 848 S 8.08 4.23 0.00 4.02 4.12 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 0.00 849 L 7.79 3.91 0.00 1.83 1.70 0.89 1.00 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 0.00 850 H 8.12 4.05 0.00 3.20 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 Q 8.53 3.78 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 852 L 7.75 3.95 0.00 1.85 1.73 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 853 M 7.79 3.12 0.00 0.51 1.67 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.18 0.00 854 L 7.15 3.82 0.00 1.57 1.65 0.84 1.22 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 0.00 855 D 7.88 4.40 0.00 2.75 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 0.00 856 C 7.85 4.06 0.00 2.51 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 857 W 6.91 3.88 0.00 3.06 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 0.00 0.00 0.00 858 Q 7.27 4.24 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 859 K 8.89 4.15 0.00 1.82 1.93 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.54 7.81 860 D 8.11 4.59 0.00 2.84 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 0.00 861 R 8.76 4.02 0.00 2.09 2.38 0.00 3.06 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 862 N 8.53 4.41 0.00 2.92 2.94 0.00 0.00 6.96 6.94 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 0.00 863 A 7.90 4.34 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 0.00 0.00 0.00 0.00 0.00 864 R 7.44 4.34 0.00 1.90 1.85 0.00 3.42 0.00 0.00 3.64 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.66 0.00 865 P 0.00 4.42 0.00 2.04 1.96 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 1.83 1.87 0.00 866 R 8.75 4.12 0.00 1.92 1.87 0.00 3.13 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 867 F 8.42 4.15 0.00 3.14 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 0.00 868 P 0.00 4.28 0.00 2.17 2.12 0.00 3.56 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 869 Q 7.96 3.99 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 870 V 7.70 3.52 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 0.80 0.00 0.00 0.76 0.00 0.00 871 V 7.95 3.60 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 1.03 0.00 0.00 0.96 0.00 0.00 872 S 8.23 4.12 0.00 4.06 3.90 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 0.00 873 A 8.08 3.98 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 0.00 874 L 8.03 3.98 0.00 1.88 1.75 1.04 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 0.00 875 D 8.59 4.40 0.00 2.87 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 0.00 876 K 8.15 3.97 0.00 2.10 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 877 M 7.75 4.03 0.00 2.00 2.29 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 2.83 2.59 0.00 878 I 7.56 3.86 2.02 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 1.52 0.55 0.91 0.00 0.00 879 R 8.01 4.15 0.00 2.19 1.99 0.00 3.22 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 880 N 7.91 5.12 0.00 2.80 2.70 0.00 0.00 6.58 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881 P 0.00 4.37 0.00 2.26 2.31 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 882 A 8.22 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 S 8.09 4.10 0.00 4.08 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 0.00 884 L 7.79 4.31 0.00 1.76 1.76 0.92 0.76 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 0.00 885 K 7.92 4.06 0.00 2.10 1.88 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.47 1.28 7.81 886 I 7.43 3.94 1.87 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 1.18 0.53 0.91 0.00 0.00 887 V 8.00 4.62 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 0.88 0.00 0.00 1.00 0.00 0.00 888 A 8.52 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.