NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 609 E 4.2909 8.4449 121.4670 55.4309 31.5484 175.2958 610 I 4.3320 7.5132 118.2075 57.9931 39.8046 173.9644 611 D 4.1454 8.4123 125.3106 53.8699 42.6347 176.9348 612 V 3.6037 8.2469 126.2593 65.6989 31.8515 177.9614 613 S 4.2312 7.8802 113.8523 61.0533 62.9356 174.8037 614 Y 4.5972 7.9012 117.9614 59.0429 38.0357 174.5324 615 V 4.7394 7.5676 120.8684 60.8755 33.3923 174.7964 616 K 4.4703 9.0191 129.6420 54.5958 34.3613 174.9291 617 I 4.2698 8.3968 129.4963 60.5536 37.2886 175.4339 618 E 4.6549 8.7503 131.1138 55.5835 31.2941 176.7793 619 E 4.0325 8.8131 127.9723 57.5581 30.8511 176.1500 620 V 4.2643 8.4001 126.7299 62.9860 31.9568 175.3845 621 I 4.6134 8.8809 119.7787 60.4124 39.2747 174.6003 622 G 4.2097 7.5661 108.6229 46.0030 0.0000 171.7060 623 A 5.1920 8.6935 120.7707 50.2087 21.7934 176.0933 624 G 4.2545 9.4866 112.4851 43.2328 0.0000 173.3988 625 E 3.9013 8.9760 118.8820 58.5422 29.4657 177.6100 626 F 4.7686 9.1294 113.7705 56.2706 40.9103 176.4744 627 G 3.9539 6.8554 106.2430 46.2154 0.0000 171.7369 628 E 4.6875 8.0708 119.9633 56.1720 31.6253 175.9515 629 V 4.7491 8.4692 121.2250 61.5261 34.3346 174.3014 630 C 5.3718 9.4421 125.0753 57.9137 32.0438 173.1020 631 R 4.5703 8.8516 121.8384 56.2019 31.6125 175.7173 632 G 4.3721 8.4337 110.5154 45.9414 0.0000 171.5221 633 R 5.1529 8.8698 118.4109 54.1284 33.7640 174.7820 634 L 5.0796 8.9344 125.9315 53.1917 44.5520 175.0626 635 K 4.7339 9.0740 127.1582 55.0203 34.5819 175.0352 636 A 3.8181 8.1923 130.3169 48.9321 21.2399 174.1004 637 P 4.2076 0.0000 0.0000 64.3097 31.6626 177.3608 638 G 3.9653 9.0553 110.4973 45.2810 0.0000 173.1231 639 K 4.5967 7.6162 120.1284 54.5124 35.6986 177.1115 640 K 4.1960 8.3481 122.7966 54.0525 32.4081 176.8698 641 E 4.4870 8.5088 121.0722 57.0045 30.3064 176.0612 642 S 4.8326 9.2268 119.4441 56.5840 67.4769 172.1329 643 C 4.8201 8.5386 121.2674 58.8694 32.7829 172.6533 644 V 5.1128 8.8269 118.6474 59.5382 35.8246 174.4459 645 A 5.1611 8.8965 124.8227 51.2632 20.9405 176.4651 646 I 5.0551 9.1131 121.6739 59.5439 41.0822 174.5563 647 K 5.1457 9.0861 127.2751 55.1946 33.8156 175.6148 648 T 4.9683 8.4002 115.7103 60.1194 70.8313 174.2532 649 L 4.2849 7.8003 129.1733 55.1199 44.5589 176.1630 *654 T 4.4273 8.5235 105.6591 60.9595 70.3369 171.0354 655 E 3.8166 7.8552 121.5996 57.2470 30.3313 176.0595 656 R 3.9911 7.7582 116.2087 59.8256 29.9927 178.8802 657 Q 4.2624 8.0070 117.2633 58.6273 28.6684 178.4689 658 R 3.9610 7.9816 121.9517 60.1820 30.3109 179.3648 659 R 4.0169 8.6422 123.2706 61.9002 29.1218 181.0741 660 E 4.2690 7.9638 117.4038 60.9003 30.1616 182.0515 661 F 3.7626 8.0470 121.4921 61.1914 39.4004 177.3112 662 L 4.0272 8.1644 118.2528 56.7747 41.4356 179.3285 663 S 4.1567 7.8103 116.2223 60.7021 62.6147 176.0266 664 E 3.8045 7.6798 121.5626 59.1223 29.3020 178.7598 665 A 3.8985 7.7480 120.3730 55.1359 18.0264 179.6232 666 S 4.0465 7.8044 112.6808 61.3960 63.0558 176.8569 667 I 3.3934 7.6841 123.3443 64.3237 37.0506 177.8035 668 M 3.6765 8.1076 119.3645 58.6916 31.7686 178.3083 669 G 3.6211 8.0477 104.2878 46.9010 0.0000 175.0154 670 Q 3.9044 7.2512 119.1175 56.4203 29.0700 175.8316 671 F 5.2761 6.8078 117.9595 55.6785 41.4336 175.2890 672 E 4.3725 8.9279 124.6994 55.7181 31.1993 173.8858 673 H 4.3739 7.9879 124.0240 54.1249 32.5052 172.7184 674 P 4.3672 0.0000 0.0000 64.7665 31.4110 176.5358 675 N 5.1129 8.2324 116.5727 52.8977 39.2269 173.1941 676 I 5.0176 7.4023 118.2016 59.0089 40.2959 175.5197 677 I 3.8578 8.5962 127.4251 61.6592 38.7024 175.0603 678 R 4.2764 9.2518 130.2777 55.5648 31.3678 174.7854 679 L 4.4830 8.4598 128.9592 55.0121 42.1492 176.0144 680 E 4.2382 9.4609 127.0554 56.9721 30.8302 176.6736 681 G 4.0179 6.9469 103.5858 46.6210 0.0000 171.6065 682 V 5.0008 7.5982 111.0731 59.5294 36.4930 175.3316 683 V 4.5782 8.6729 123.8813 61.7456 32.6059 175.8834 684 T 4.5465 8.5548 116.4934 61.1897 70.1847 174.4772 685 N 4.4985 8.1814 117.8894 54.0023 39.1085 173.9503 686 S 4.8243 7.6722 111.7561 56.3919 65.2708 172.1835 687 M 4.8588 8.0464 119.6114 52.4567 35.4843 173.8348 688 P 4.3648 0.0000 0.0000 62.4026 32.4999 176.3330 689 V 4.0709 8.0536 120.2132 63.6596 32.9272 174.5668 690 M 5.5739 9.2391 125.0991 53.8700 37.0464 174.0171 691 I 4.9694 8.6939 121.9048 59.5384 40.8304 174.3474 692 L 5.3950 9.2895 127.3966 53.1384 44.3714 175.7898 693 T 5.2193 8.6717 113.1795 59.0070 72.6073 172.9992 694 E 4.3534 8.5592 120.5753 57.0135 29.9833 176.5506 695 F 4.4618 8.7089 125.5752 58.3302 40.5064 174.7807 696 M 4.2190 7.8077 125.9113 53.2355 32.0477 176.1774 697 E 3.5272 8.3097 124.4360 58.8753 29.7803 178.2268 698 N 4.4881 7.7846 113.5598 52.3429 39.7796 177.3452 699 G 3.6526 7.7372 107.3719 45.8914 0.0000 172.8544 700 A 4.6536 8.2439 122.2791 51.6189 20.4960 178.3125 701 L 4.0627 8.6166 125.3229 58.1120 42.0495 179.5655 702 D 4.4224 8.0990 118.9824 56.6913 39.5842 178.6512 703 S 4.2049 8.1136 115.8518 60.6198 62.9686 175.7917 704 F 4.3314 8.3118 123.6625 61.3932 39.4992 176.8656 705 L 4.2357 8.4758 118.7421 57.8503 41.1886 179.6774 706 R 4.0973 7.9319 117.2631 59.2522 30.0940 178.6262 707 L 4.1180 7.9988 119.0373 56.9179 42.3343 176.9677 708 N 4.7792 7.5257 116.1415 52.0914 39.2319 173.7430 709 D 3.7514 7.9072 118.0676 55.6774 41.3768 176.3763 710 G 3.3359 5.3800 113.7999 45.6346 0.0000 173.4124 711 Q 4.1811 7.2063 117.0039 55.3701 29.5901 175.4538 712 F 5.3690 7.7487 116.3081 55.6435 42.0405 175.7603 713 T 4.4220 8.8235 114.1242 61.0478 71.0309 176.0857 714 V 3.6195 8.3392 120.7633 66.4690 31.4624 178.2381 715 I 3.7324 7.7366 118.9537 64.2908 36.9779 178.2811 716 Q 3.9779 8.0938 118.8735 59.0164 28.5155 178.8376 717 L 3.9590 8.0173 120.0182 57.7027 41.5621 179.7646 718 V 3.6924 8.1890 118.6743 65.6657 31.4007 178.3618 719 G 3.6038 8.1465 105.7360 47.9171 0.0000 175.5368 720 M 4.0189 7.9978 121.1846 58.2655 31.9654 178.8922 721 L 4.0926 8.1014 119.1100 57.7259 41.6753 179.6067 722 R 4.0193 8.5907 119.3176 59.3175 30.0299 178.7711 723 G 3.6228 8.0981 105.5157 47.9460 0.0000 175.6252 724 I 3.7402 7.9633 122.2998 64.1379 37.0778 178.4783 725 A 3.7574 8.4488 121.7201 54.9082 18.1291 179.6887 726 S 4.1069 8.4310 112.2132 61.3284 62.4996 176.4514 727 G 3.4929 7.9797 108.4775 48.2731 0.0000 175.6022 728 M 3.7681 7.7181 121.3713 57.5605 31.7256 178.7799 729 R 3.8938 7.9685 119.3500 59.5791 30.2849 178.0325 730 Y 3.9946 7.9601 119.2358 60.5239 38.7438 177.7096 731 L 3.6066 7.9016 119.6823 57.7542 41.7491 179.4267 732 A 4.0819 8.2203 120.9698 55.1298 18.0806 179.2557 733 E 3.9370 7.9977 117.0374 59.3907 29.7271 178.0365 734 M 4.2864 7.4187 115.8352 54.4096 32.1182 176.1049 735 S 3.7119 7.6722 113.9488 59.5564 61.2701 171.3923 736 Y 4.3780 8.3139 121.6195 55.9749 39.2448 174.6794 737 V 4.2955 7.6215 127.4179 61.6973 32.6581 174.9391 738 H 4.3379 10.0948 128.0614 58.9473 29.8954 177.7313 739 R 4.3135 8.7075 114.7223 56.7104 29.0428 175.8687 740 D 4.8218 7.8644 116.5151 53.4361 41.8196 174.9448 741 L 3.8981 8.3117 119.8987 54.5199 42.5376 175.4130 742 A 4.5298 7.9931 126.7622 50.7247 22.1467 176.4595 743 A 4.0229 9.3629 124.0002 55.1973 18.5819 180.6699 744 R 4.2564 7.8003 110.3509 58.1871 29.7632 176.8629 745 N 4.8181 8.2533 115.6938 52.8540 40.0497 174.0232 746 I 4.8666 7.7170 120.6727 59.5042 40.0283 174.7931 747 L 5.1810 8.8549 126.2613 52.9809 45.1699 175.5033 748 V 4.7183 8.2300 120.7173 61.2300 34.8468 175.1848 749 N 4.9517 8.5066 125.8457 51.3394 39.6580 175.8926 750 S 4.1410 8.5701 112.4444 60.8601 63.1262 174.6926 751 N 4.6625 8.2061 116.9867 52.7237 38.3260 174.9974 752 L 3.4916 7.7466 116.0646 55.2957 39.9300 174.3823 753 V 3.8056 7.9410 120.3688 62.9698 32.3959 174.6473 754 C 5.1461 8.5826 125.5626 58.4722 29.8241 173.2299 755 K 4.7174 8.9064 122.2860 54.2819 35.9452 175.8648 756 V 3.8767 8.8687 125.7503 63.1888 32.2746 174.1658 757 S 4.9299 8.2393 124.4947 57.6151 65.4526 172.8363 758 D 4.3563 8.8223 110.2912 54.7886 38.2907 173.7449 759 F 4.7437 8.2725 118.2365 54.6429 39.5723 173.4143 *782 I 3.9849 7.7302 122.3659 60.1987 38.5219 175.2395 783 P 4.7311 0.0000 0.0000 61.8533 29.7769 176.4881 784 I 3.6932 8.5347 128.4058 65.2862 37.2541 178.3450 785 R 3.8764 8.0502 112.7350 57.1740 29.1888 176.6855 786 W 4.7252 8.6837 118.3514 56.9352 30.2091 175.3557 787 T 4.7346 7.6366 115.9158 61.3901 69.7354 175.1414 788 A 2.5800 8.1456 127.6849 50.9817 20.2429 176.8092 789 P 3.8114 0.0000 0.0000 65.7840 31.2252 178.8571 790 E 3.7621 7.7782 116.4524 58.7679 29.7093 178.8115 791 A 3.6906 7.3319 122.8645 53.9650 18.1860 179.4918 792 I 3.4574 7.2119 117.2836 64.4191 37.2776 178.2901 793 A 3.7561 7.5529 120.2966 54.2213 17.9312 178.7733 794 F 4.9350 7.5504 112.9799 56.1442 39.8582 176.0410 795 R 3.9276 7.5319 115.6711 56.9311 28.3618 176.6409 796 K 4.2292 7.2429 120.9738 55.3331 31.1231 174.7984 797 F 4.6073 8.6030 125.1111 55.9159 40.5602 176.1702 798 T 4.8419 9.1098 115.6798 59.2067 73.4116 174.9735 799 S 4.3792 8.7781 116.2247 61.5948 62.5653 176.8175 800 A 4.1173 8.0866 123.5802 54.8760 18.2441 179.5800 801 S 4.2653 8.0904 112.5722 61.6592 63.0626 176.4881 802 D 4.6835 8.4959 122.4391 57.1465 40.5268 178.5211 803 A 3.9358 8.2700 121.6393 54.6083 18.3307 179.2512 804 W 4.6306 8.1357 128.3743 60.4673 30.7847 178.2194 805 S 4.8179 8.5954 116.2412 61.3899 62.2941 176.1152 806 Y 4.2864 8.9051 122.5698 60.7949 38.5833 178.3830 807 G 3.3812 8.3754 106.6004 47.8934 0.0000 175.6774 808 I 4.0695 8.0402 121.6737 64.2329 37.0637 178.6776 809 V 3.8901 8.1834 119.3110 66.2496 31.3421 177.7391 810 M 3.8042 8.0269 118.8761 58.2864 31.8103 178.6120 811 W 4.0241 8.1634 128.1459 60.4054 30.8916 177.7617 812 E 4.0447 8.7619 118.8394 59.4664 28.9620 179.6165 813 V 3.4003 7.9076 118.1734 66.3537 31.4716 178.0548 814 M 3.9078 7.7343 116.6240 57.1826 31.8024 177.7690 815 S 4.2536 7.3100 112.6534 56.9023 64.0591 173.7424 816 F 3.5356 8.5339 120.0323 59.0259 36.6690 175.7379 817 G 3.9105 8.7431 103.0434 46.1626 0.0000 173.8337 818 E 4.1860 7.6487 119.0405 55.2354 30.5108 176.3291 819 R 4.1875 9.0604 125.0738 55.1310 30.5998 174.3807 820 P 3.1153 0.0000 0.0000 63.8730 31.7375 175.6579 821 Y 3.4361 6.5292 118.1977 58.2799 36.4932 171.9711 822 W 3.5610 6.7955 125.0576 58.7125 29.9621 176.0431 823 D 4.8798 9.2408 126.6481 53.8920 39.4218 176.8835 824 M 4.1759 8.1058 119.7421 56.6222 32.6411 177.2378 825 S 4.4253 8.3240 117.1610 57.7380 65.5522 175.1628 826 N 4.1728 8.5478 119.4285 56.6941 38.3040 177.4381 827 Q 3.8902 7.9305 120.2078 59.2504 29.1308 177.7210 828 D 4.2939 7.9467 119.6686 57.1888 40.7898 179.0171 829 V 3.1908 7.5805 118.7765 65.8167 31.5468 178.0896 830 I 3.5378 7.5897 119.5191 64.5215 36.9203 178.2544 831 N 4.2980 8.1903 116.9783 56.0337 38.3449 177.4143 832 A 3.9816 8.1197 122.4254 55.2411 18.4732 179.7778 833 I 3.9492 7.7712 118.3042 64.6460 36.9867 178.3506 834 E 4.0339 7.9491 118.6992 58.6023 29.3820 177.6574 835 Q 4.5254 7.7391 116.4310 55.7029 29.6497 176.0950 836 D 4.8096 7.9730 118.1240 54.4178 39.1500 174.2103 837 Y 4.2568 8.2154 121.1557 57.5448 39.3550 175.1858 838 R 4.3192 7.0494 123.6759 53.6723 34.2748 175.1369 839 L 3.7283 7.2550 120.7176 54.1499 41.9842 175.6425 840 P 4.6951 0.0000 0.0000 60.9936 32.5255 174.0868 841 P 4.3454 0.0000 0.0000 61.9665 31.8086 174.7653 842 P 4.3789 0.0000 0.0000 61.5357 31.9439 173.9237 843 P 4.4374 0.0000 0.0000 64.4743 31.5503 176.6598 844 D 4.4466 8.8375 119.8899 54.7393 38.6793 173.4090 845 C 4.2350 7.9135 120.7303 58.0789 32.2047 172.0938 846 P 4.4731 0.0000 0.0000 63.4424 32.4635 177.4318 847 T 3.9344 8.9167 119.7457 66.8184 68.4756 177.1126 848 S 4.0927 8.0276 115.6853 61.3362 62.9619 176.5115 849 L 3.9644 7.7835 122.1826 57.8037 41.5085 178.6187 850 H 4.0739 8.1552 118.1027 59.1758 29.7275 177.1509 851 Q 3.8152 8.3414 121.7990 58.8049 28.8398 177.8262 852 L 3.8097 7.6609 121.0314 58.2076 42.2136 178.8074 853 M 3.1357 7.7233 118.5628 58.0969 31.5247 178.6625 854 L 3.8435 7.1041 117.5336 57.7572 41.8864 179.0625 855 D 4.4168 7.9399 118.7259 57.6794 40.6736 178.7242 856 C 4.1016 7.7806 116.8493 61.6316 27.6565 175.1226 857 W 3.9747 6.8072 118.4018 55.1796 29.5629 176.2261 858 Q 4.2622 7.3064 118.8398 55.7431 28.8193 176.7091 859 K 4.1556 8.9246 123.6922 59.4762 32.7241 176.5225 860 D 4.5051 8.1178 120.4230 53.7943 41.0175 176.5900 861 R 4.1139 8.6834 124.7545 59.1755 29.7575 178.7093 862 N 4.3840 8.2312 115.0660 55.5956 38.6010 175.9567 863 A 4.2311 7.7726 119.8701 53.6256 19.0004 178.1097 864 R 4.3254 7.4785 115.2197 54.9140 30.7407 174.9654 865 P 4.4070 0.0000 0.0000 62.7949 32.0905 177.1147 866 R 4.0855 8.8900 120.4320 55.5850 32.2611 178.1160 867 F 4.1235 8.4255 118.6880 60.2065 38.8639 176.2092 868 P 4.3179 0.0000 0.0000 65.7251 31.0557 178.6126 869 Q 4.1395 7.9379 117.7763 58.0671 28.6850 178.6694 870 V 3.4888 7.6162 119.4788 65.9425 31.5475 178.2689 871 V 3.6040 7.8469 118.1642 66.0412 31.2505 178.0983 872 S 4.1298 8.2395 113.8213 61.3220 62.8814 176.2200 873 A 3.9927 8.2713 124.6194 55.0146 18.0575 179.6715 874 L 3.9820 8.0329 117.4013 57.9604 41.6717 179.3745 875 D 4.3587 8.5171 119.3063 57.3514 40.7782 179.0474 876 K 3.9681 8.1352 118.8412 59.8208 31.5390 179.3085 877 M 4.0985 7.9552 118.5469 58.4755 31.6072 178.9660 878 I 3.8037 7.8456 119.3969 64.3941 37.3552 178.4122 879 R 4.1615 8.0905 118.1101 57.4759 31.5634 176.5202 880 N 5.0270 8.0182 116.7507 50.8116 38.7128 172.9543 881 P 4.5646 0.0000 0.0000 64.4666 31.9456 178.1767 882 A 4.0378 8.1107 121.0950 55.2358 17.9657 179.2949 883 S 4.1477 7.9648 112.0724 61.4740 62.9035 175.9222 884 L 4.3500 7.5192 119.7133 55.0652 41.4956 177.6344 885 K 4.1800 7.7887 119.5553 58.1923 32.7783 177.5064 886 I 3.9091 7.6672 120.7785 60.9914 37.4581 176.1335 887 V 4.1111 8.2788 124.2881 62.9782 31.6212 174.8944 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 609 E 8.44 4.29 0.00 1.91 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 2.27 2.41 0.00 610 I 7.51 4.33 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 0.96 0.00 0.00 611 D 8.41 4.15 0.00 2.03 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 8.25 3.60 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 0.94 0.00 0.00 0.88 0.00 0.00 613 S 7.88 4.23 0.00 4.09 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 0.00 614 Y 7.90 4.60 0.00 3.10 3.03 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 0.00 0.00 0.00 615 V 7.57 4.74 2.20 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 0.75 0.00 0.00 0.97 0.00 0.00 616 K 9.02 4.47 0.00 1.92 1.64 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.25 7.81 617 I 8.40 4.27 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 1.36 0.66 0.92 0.00 0.00 618 E 8.75 4.65 0.00 1.88 1.57 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 2.22 2.31 0.00 619 E 8.81 4.03 0.00 2.03 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 2.40 2.33 0.00 620 V 8.40 4.26 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 0.88 0.00 0.00 0.95 0.00 0.00 621 I 8.88 4.61 1.99 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 1.05 0.00 0.00 622 G 7.57 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 0.00 0.00 0.00 623 A 8.69 5.19 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 4.25 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 0.00 625 E 8.98 3.90 0.00 1.93 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 1.62 2.12 0.00 626 F 9.13 4.77 0.00 3.20 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 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0.00 0.00 0.00 818 E 7.65 4.19 0.00 1.97 1.69 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 2.63 2.30 0.00 819 R 9.06 4.19 0.00 1.94 1.85 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 820 P 0.00 3.12 0.00 1.42 1.09 0.00 3.62 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 1.10 1.94 0.00 821 Y 6.53 3.44 0.00 2.94 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 6.80 3.56 0.00 3.56 2.33 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 0.00 823 D 9.24 4.88 0.00 2.69 2.54 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 0.00 824 M 8.11 4.18 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 825 S 8.32 4.43 0.00 4.01 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 0.00 826 N 8.55 4.17 0.00 2.79 2.86 0.00 0.00 6.44 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 0.00 827 Q 7.93 3.89 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 828 D 7.95 4.29 0.00 2.83 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 0.00 829 V 7.58 3.19 1.87 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 0.06 0.00 0.00 0.53 0.00 0.00 830 I 7.59 3.54 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.78 0.00 0.00 831 N 8.19 4.30 0.00 2.67 2.81 0.00 0.00 6.94 6.96 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 0.00 832 A 8.12 3.98 1.26 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 0.00 0.00 833 I 7.77 3.95 1.81 0.00 0.00 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 1.53 0.82 1.02 0.00 0.00 834 E 7.95 4.03 0.00 2.27 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 0.00 2.32 2.22 0.00 835 Q 7.74 4.53 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.58 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 836 D 7.97 4.81 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 Y 8.22 4.26 0.00 2.92 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 0.00 838 R 7.05 4.32 0.00 1.65 1.71 0.00 3.30 0.00 0.00 3.11 7.36 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 7.25 3.73 0.00 0.84 0.85 -1.22 -0.39 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 2.33 2.19 0.00 4.05 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 2.48 2.33 0.00 841 P 0.00 4.35 0.00 2.16 1.93 0.00 3.77 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 842 P 0.00 4.38 0.00 1.97 1.59 0.00 3.53 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 1.55 0.95 0.00 843 P 0.00 4.44 0.00 2.05 2.01 0.00 3.76 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 2.06 2.16 0.00 844 D 8.84 4.45 0.00 2.87 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 7.91 4.23 0.00 2.94 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 0.00 846 P 0.00 4.47 0.00 2.18 2.08 0.00 3.63 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 2.11 2.33 0.00 847 T 8.92 3.93 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 1.22 0.00 0.00 848 S 8.03 4.09 0.00 4.02 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 0.00 849 L 7.78 3.96 0.00 1.84 1.70 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 850 H 8.16 4.07 0.00 3.21 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 Q 8.34 3.82 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 852 L 7.66 3.81 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 1.44 0.00 0.00 0.00 0.00 0.00 0.00 853 M 7.72 3.14 0.00 0.51 1.51 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 2.51 2.36 0.00 854 L 7.10 3.84 0.00 1.59 1.65 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 855 D 7.94 4.42 0.00 2.72 2.62 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 0.00 856 C 7.78 4.10 0.00 2.54 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 0.00 857 W 6.81 3.97 0.00 2.98 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 0.00 0.00 0.00 858 Q 7.31 4.26 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 859 K 8.92 4.16 0.00 2.10 1.93 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.00 7.81 860 D 8.12 4.51 0.00 2.84 2.61 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 0.00 861 R 8.68 4.11 0.00 2.09 2.23 0.00 3.05 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 862 N 8.23 4.38 0.00 2.91 2.93 0.00 0.00 6.99 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 0.00 863 A 7.77 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 864 R 7.48 4.33 0.00 1.90 1.85 0.00 3.43 0.00 0.00 3.68 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 865 P 0.00 4.41 0.00 2.03 1.97 0.00 3.75 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 1.83 1.87 0.00 866 R 8.89 4.09 0.00 1.82 1.87 0.00 3.11 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 867 F 8.43 4.12 0.00 3.13 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 4.32 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 7.94 4.14 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 870 V 7.62 3.49 2.13 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 0.74 0.00 0.00 0.75 0.00 0.00 871 V 7.85 3.60 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 1.11 0.00 0.00 0.96 0.00 0.00 872 S 8.24 4.13 0.00 4.09 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 0.00 873 A 8.27 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 874 L 8.03 3.98 0.00 1.88 1.75 1.07 0.89 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 0.00 875 D 8.52 4.36 0.00 2.81 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 8.14 3.97 0.00 2.06 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 877 M 7.96 4.10 0.00 2.10 2.25 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 2.78 2.58 0.00 878 I 7.85 3.80 2.00 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 0.56 0.91 0.00 0.00 879 R 8.09 4.16 0.00 2.05 1.99 0.00 3.22 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 880 N 8.02 5.03 0.00 2.72 2.75 0.00 0.00 6.84 7.00 0.00 0.00 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 4.56 0.00 2.30 2.30 0.00 3.95 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 1.89 0.00 882 A 8.11 4.04 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 0.00 883 S 7.96 4.15 0.00 4.04 4.02 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 0.00 884 L 7.52 4.35 0.00 1.81 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 885 K 7.79 4.18 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 886 I 7.67 3.91 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 1.30 0.71 0.91 0.00 0.00 887 V 8.28 4.11 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 0.84 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.