NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 519 T 4.4280 8.0333 111.0860 61.7836 71.1401 172.2056 520 T 4.7007 8.2423 118.8059 62.5074 70.1892 172.7742 521 G 4.3862 9.6722 114.4889 45.4751 0.0000 172.1951 522 L 5.6074 8.9267 122.6938 52.7963 45.4418 175.4839 523 I 5.0547 8.4864 124.0245 59.9108 40.1593 174.0695 524 Y 4.4808 8.3247 123.8799 57.0257 42.6487 172.6174 525 D 4.3387 6.9764 123.8301 51.5343 44.4656 176.1852 526 S 3.7998 8.3467 120.8364 60.4878 62.9853 176.4027 527 V 3.0605 7.0708 122.0940 66.3082 30.6882 177.1585 528 M 4.0802 7.4519 116.2131 56.6385 32.0891 178.0892 529 L 4.0685 7.7155 119.7212 57.1831 41.5251 178.7136 530 K 3.7737 7.1584 115.8543 57.5814 32.2862 176.4811 531 H 4.3360 7.4349 120.0690 56.0299 29.3124 174.1899 532 Q 4.3740 7.7833 122.0257 55.0229 30.8171 173.6381 533 C 4.2154 8.1337 120.6723 59.1918 32.5761 174.7739 534 S 4.2296 8.5951 119.8324 61.0984 62.8587 176.1713 535 C 4.1217 8.1409 115.2244 59.0909 29.5242 173.9753 536 G 3.7388 7.7920 107.8641 46.4574 0.0000 173.2118 537 D 4.6654 7.8705 120.4011 52.3531 40.8107 176.1124 538 N 4.6147 8.4393 123.2116 54.1784 39.2843 176.9732 539 S 4.1998 8.2060 113.4704 61.1510 62.6265 175.1668 540 R 4.0557 7.5919 113.9880 57.2269 29.7128 175.9201 541 H 4.7290 7.3624 116.1281 53.1645 28.9641 171.8673 542 P 4.2755 0.0000 0.0000 65.2904 31.6280 177.6254 543 E 4.0670 7.1640 120.5996 54.6963 27.9555 174.3814 544 H 4.8479 7.5008 118.1740 52.5747 31.7303 176.1828 545 A 4.1196 8.5714 121.4765 55.2428 18.0136 180.0889 546 G 3.7193 8.3800 103.7478 47.8521 0.0000 175.4946 547 R 3.9483 7.8145 120.6918 59.7282 30.1697 179.0002 548 I 3.9607 7.7153 111.9854 63.7748 37.8852 177.7376 549 Q 4.1525 8.0256 121.7045 59.2258 28.8523 178.5107 550 S 4.1854 8.2510 115.3339 61.3124 63.0618 176.4027 551 I 3.7389 7.6394 123.5113 64.0276 36.8187 177.9355 552 W 4.2657 8.2533 129.2875 60.7092 30.3683 178.1404 553 S 4.0094 8.3810 114.1853 61.2920 62.4269 176.2764 554 R 4.1639 8.1570 123.8643 58.6975 29.6942 178.4570 555 L 4.0225 7.8826 118.5730 57.1069 41.5957 179.2797 556 Q 3.6788 7.4559 119.9510 59.2446 28.9255 177.7197 557 E 3.9492 8.1205 119.6103 59.0072 29.2521 178.7258 558 R 4.6126 7.5046 114.6634 55.2093 30.5490 176.7745 559 G 3.8630 7.7895 106.5947 46.7640 0.0000 175.5639 560 L 4.2588 8.0424 122.5638 56.7250 41.9231 179.2404 561 R 3.8115 7.7043 117.7602 59.2455 29.7587 178.7840 562 S 4.1354 8.0109 113.5820 61.7957 62.8711 176.1975 563 Q 4.2314 7.7366 118.3232 56.6155 28.8506 175.4055 564 C 4.9085 7.0580 116.2569 57.5264 31.5865 173.6598 565 E 4.2549 9.1572 122.2964 56.1397 29.7117 175.0828 566 C 5.2178 8.6700 125.5644 59.2212 29.4401 173.2715 567 L 4.9455 9.4438 123.0674 53.4319 45.4287 177.5121 568 R 4.5346 8.4239 117.6521 56.1023 31.6365 177.3661 569 G 3.6311 9.8348 102.0384 46.0790 0.0000 171.6394 570 R 2.8906 6.5494 112.7282 54.3723 32.5969 174.2134 571 K 4.3951 7.7128 119.5036 55.9093 32.6088 177.2185 572 A 4.2114 8.5868 128.1621 51.6768 19.1411 177.6990 573 S 4.2833 8.9659 116.2830 57.6216 64.0166 175.5166 574 L 3.9454 8.3413 120.7530 57.9148 40.9533 179.6953 575 E 4.0059 7.9636 117.5624 59.1201 29.7584 178.5282 576 E 4.2279 7.9114 118.4935 59.4723 29.4590 179.2840 577 L 3.9156 7.7139 118.8947 57.9366 41.4176 179.4070 578 Q 4.5044 7.8425 117.7996 57.3497 28.7918 178.0401 579 S 4.3135 7.8015 114.3425 60.0431 62.9473 174.8462 580 V 4.0812 7.7483 121.2335 63.4702 33.4543 174.6398 581 H 5.0409 8.1876 116.0075 53.3615 31.4389 173.9798 582 S 4.4513 8.5916 117.0846 57.9571 63.9460 175.5091 583 E 3.9760 8.7553 119.9524 59.5354 29.0646 179.5325 584 R 3.8687 7.9468 118.2887 59.6365 30.2185 177.7689 585 H 4.2320 8.2763 118.0773 59.3798 29.8858 177.4799 586 V 3.8738 8.1074 119.9867 65.9999 31.2406 177.9175 587 L 3.9847 8.0507 118.7972 57.7444 41.2483 179.3838 588 L 3.6072 7.9420 119.2297 57.7987 42.1481 177.7889 589 Y 4.6306 7.6761 113.1308 58.2482 38.6081 177.3156 590 G 4.1014 8.8066 107.0801 45.1548 0.0000 173.7854 591 T 4.8344 6.8235 108.6266 59.3023 71.8977 172.9113 592 N 4.4307 8.5524 120.6219 54.1183 38.2445 173.4706 593 P 4.6178 0.0000 0.0000 63.1898 32.7320 176.1525 *616 L 4.1248 7.6265 118.2010 54.5714 42.7669 175.6216 617 P 4.1828 0.0000 0.0000 66.0907 31.2757 177.3204 618 C 4.2774 7.9602 109.1310 59.1161 29.6579 172.8979 619 G 4.1072 8.7144 109.8294 45.5832 0.0000 174.2070 620 G 4.2213 7.6885 105.1090 45.5969 0.0000 172.9444 621 V 4.5115 8.3482 119.1793 61.8117 33.6382 174.6545 622 G 4.6200 8.4071 111.5245 45.5072 0.0000 172.9661 623 V 4.0851 9.2436 114.1445 63.3145 32.2818 175.9690 624 D 4.5938 7.8769 117.2503 52.1937 41.7633 175.8196 625 T 3.8948 8.5603 109.1183 64.9676 68.4362 174.5903 626 D 4.6322 8.1420 119.9232 55.8988 41.5889 176.3039 627 T 4.5890 7.9659 117.1990 62.0573 69.4651 174.6252 628 I 4.3727 8.4982 127.8861 60.7110 38.3714 175.9830 629 W 4.7871 9.0517 135.0000 55.4676 32.4655 174.1960 630 N 4.3820 8.8968 127.6650 52.6569 38.4454 175.9029 631 E 4.0144 8.6818 125.8840 58.3313 29.8768 177.6804 632 L 4.3832 7.6590 117.4127 55.2972 43.5766 177.4930 633 H 4.7030 7.5760 113.5087 56.1713 30.6107 176.0423 634 S 3.6643 7.4229 117.3222 61.3047 62.4588 176.4478 635 S 4.2899 6.6339 114.9256 61.7549 62.3918 176.2649 636 N 4.3941 8.0478 118.2400 56.2457 38.2745 177.1577 637 A 3.9488 8.0880 122.0112 54.9687 18.5875 179.5807 638 A 4.0379 8.3025 119.6063 55.6600 18.5839 180.1405 639 R 3.9619 8.3348 116.4361 58.9666 30.0145 179.2867 640 W 4.0344 8.3676 128.2251 60.2616 30.8226 177.7740 641 A 4.0390 8.4618 120.8301 55.4357 17.8479 179.5414 642 A 4.2172 7.5681 120.2122 54.5643 18.4929 180.1585 643 G 3.7951 7.7420 105.1684 47.2386 0.0000 176.1653 644 S 3.9397 7.8138 117.4949 61.2849 62.8876 176.8589 645 V 3.6186 7.6628 120.8017 66.3834 30.8071 178.0765 646 T 3.9533 7.7852 115.3760 66.6483 67.9490 176.0554 647 D 4.1996 7.9867 119.7619 57.3944 41.3706 178.1154 648 L 4.0089 8.1151 120.6201 58.0597 42.0235 178.7972 649 A 4.1039 8.2958 120.9453 55.1322 18.1234 179.6185 650 F 3.9618 8.5526 116.0543 59.9823 38.9695 177.9846 651 K 4.1961 7.8119 118.2420 58.9349 32.1741 179.2639 652 V 3.9936 8.2066 119.6223 65.4660 31.2332 177.8084 653 A 3.9697 7.8790 119.2621 55.3852 18.4232 179.4569 654 S 4.1639 7.8283 110.9756 59.2244 62.6167 175.9091 655 R 4.1147 7.8232 118.9226 56.5480 28.3786 176.5467 656 E 4.0940 7.9098 120.5027 58.4234 29.8089 177.0463 657 L 4.9206 7.7926 116.7729 52.5616 45.2183 177.1402 658 K 4.1174 9.1620 123.7585 59.3418 32.5140 176.2585 659 N 5.0286 7.6136 115.1863 53.9223 40.7318 172.4707 660 G 4.4238 7.6665 104.9572 46.7361 0.0000 172.0726 661 F 5.8174 8.7453 122.2808 56.3415 42.6216 173.5591 662 A 4.5334 9.5391 129.3935 50.8296 19.8811 176.2957 663 V 4.1392 8.4166 124.8859 61.9109 29.7812 175.5306 664 V 4.5678 7.7634 116.8078 59.0849 34.9931 175.2058 665 R 4.7262 7.9563 116.8468 54.1317 31.9531 173.0913 666 P 4.8296 0.0000 0.0000 61.2954 32.1129 174.2028 667 P 4.6858 0.0000 0.0000 62.6804 32.4577 176.5724 668 G 4.3123 8.7183 103.6863 43.5489 0.0000 174.4029 669 H 4.3964 8.7982 115.3323 58.0150 28.7550 176.7943 670 H 4.4138 8.0094 115.6961 56.8579 29.4187 175.3496 671 A 4.2616 8.0498 124.2952 51.9072 18.9749 176.1129 672 D 5.1770 8.5444 121.4890 51.7403 44.7407 176.0065 673 H 4.2520 8.9845 119.4404 58.2327 29.5144 176.2443 674 S 4.8656 7.7530 111.1781 57.9120 63.6346 173.5392 675 T 4.4926 7.8888 116.6732 62.8467 71.8416 172.8630 676 A 4.6238 8.2527 129.5852 50.7032 20.6336 175.7114 677 M 4.2191 8.6533 118.3621 55.3670 34.1373 174.4894 678 G 3.2828 9.1791 105.2719 46.9155 0.0000 174.7042 679 F 4.1523 8.0925 115.0085 57.3939 37.4674 174.7902 680 C 5.1203 7.4874 118.2705 57.1030 30.6612 174.2939 681 F 4.0250 8.8070 121.7458 58.0559 40.4561 176.1493 682 F 4.9550 7.7447 117.6779 55.1328 42.2472 173.9394 683 N 4.9832 9.0454 122.9827 52.6999 37.9449 175.7735 684 S 4.2565 8.5292 124.5832 61.2993 63.1485 176.5334 685 V 3.6360 7.8403 120.2239 65.9104 31.4273 177.6401 686 A 4.4352 8.5346 120.5398 55.4276 18.2028 179.4869 687 I 3.6684 8.3611 118.3507 64.5633 37.1569 178.1554 688 A 4.1334 8.0117 122.7274 54.7337 18.1872 178.8094 689 C 3.9035 8.2649 116.8367 63.1075 31.5208 176.0279 690 R 4.0870 8.4115 119.2235 59.4435 29.6706 179.1529 691 Q 4.0886 8.4847 117.6771 59.1805 28.7964 178.4753 692 L 3.5769 8.4285 120.2578 58.2331 41.7070 179.9648 693 Q 3.9763 8.2049 117.4455 59.1266 28.5974 178.6285 694 Q 4.2124 8.5000 117.6601 57.9107 28.7188 177.5684 695 Q 4.5286 7.7956 117.6824 54.3750 29.3793 175.4247 696 S 3.6689 7.9501 116.8535 60.1130 61.0590 173.8577 697 K 4.0599 8.1292 120.6822 54.9308 31.9917 179.1983 698 A 4.3300 7.1446 116.1877 52.9072 21.6047 176.2119 699 S 4.4132 9.1338 118.8681 59.7710 64.0190 174.8058 700 K 4.8498 8.8212 120.3528 54.5057 35.0012 175.4102 701 I 4.9876 8.7783 125.9042 59.3956 40.2554 174.2964 702 L 4.8571 8.9184 129.5906 53.8857 43.8938 175.0211 703 I 4.9202 8.8105 127.1492 59.5231 40.1142 174.4455 704 V 4.4512 8.7535 127.7263 61.1071 33.5876 173.8603 705 D 5.1072 9.0138 128.6145 52.2591 42.1377 175.3865 706 W 5.2205 8.1426 120.5820 55.8244 29.1106 176.3036 707 D 4.6781 7.8361 120.6173 54.8823 41.3214 177.1986 708 V 4.0118 9.0666 124.5172 64.2692 31.7239 175.7569 709 H 5.2100 8.7666 118.0933 54.3234 29.9858 174.4245 710 H 4.3028 8.8878 123.2254 56.3079 30.5477 177.2603 711 G 3.8897 8.7663 116.8699 42.4542 0.0000 173.5179 712 N 4.2539 8.0145 122.8237 56.5475 37.5226 177.6401 713 G 3.9192 7.7499 108.5558 47.1804 0.0000 175.8837 714 T 3.7899 7.6153 117.7650 66.3059 68.3302 175.9161 715 Q 3.6875 7.1706 119.9967 59.6870 28.8837 178.8058 716 Q 4.0077 8.1041 118.6573 59.0770 28.4274 178.8824 717 T 3.6724 7.5940 116.1992 65.6056 68.5954 175.8168 718 F 4.8391 7.4451 116.8125 57.2610 39.3871 176.7810 719 Y 4.0204 7.6855 121.8986 60.5075 38.6154 177.6648 720 Q 4.6273 8.0952 115.0361 55.5232 29.5588 174.2727 721 D 4.7889 8.0542 120.1495 51.8284 41.9826 175.1822 722 P 3.3574 0.0000 0.0000 64.4473 32.0085 176.9911 723 S 4.4247 8.0910 113.1582 59.0903 64.2325 173.6549 724 V 4.7475 7.1880 120.8445 61.1097 33.4850 174.2376 725 L 4.5785 8.1189 130.6643 53.8914 43.6255 174.1945 726 Y 5.1550 8.6415 127.8228 55.9203 41.2192 174.1159 727 I 4.5935 8.2761 127.6572 59.5155 40.1783 174.3043 728 S 4.9793 8.1502 122.3513 56.3003 64.8624 172.5033 729 L 5.1373 8.5020 126.8200 53.3052 43.4776 175.6689 730 H 5.2000 8.4337 117.3751 54.1641 32.3684 172.8545 731 R 4.4283 8.6230 121.8551 57.2267 29.8856 174.8044 732 H 4.7635 9.6890 125.8619 57.3868 32.2148 174.3018 733 D 4.5327 9.0363 117.2607 55.8459 38.0704 173.2551 734 D 4.2949 9.2662 109.7193 55.3475 40.1069 173.6360 735 G 3.9322 8.2066 103.3756 44.9522 0.0000 174.2924 736 N 5.0849 7.6008 115.5516 52.0841 39.4880 174.4697 737 F 4.9001 7.8674 118.3117 56.0837 42.7364 172.9720 738 F 4.0430 7.7465 128.9547 58.4428 39.3338 172.8783 739 P 3.4946 0.0000 0.0000 61.9745 31.1530 176.3164 740 G 3.8152 8.3231 107.5602 45.5023 0.0000 173.7166 741 S 4.5545 7.4316 113.8905 57.2483 65.3997 173.1987 742 G 3.2685 8.5354 105.3064 46.5046 0.0000 173.8978 743 A 3.9526 7.9760 121.4606 51.0244 19.3314 179.6289 744 V 3.7782 8.3968 120.5268 65.1310 31.1700 177.6275 745 D 4.4089 8.0029 118.3170 56.1288 40.9111 175.8943 746 E 4.4660 8.0667 119.4529 55.8564 29.3355 176.5701 747 V 4.6634 8.0730 115.6031 59.4974 33.2399 175.8176 748 G 2.9867 8.0544 105.2017 44.2939 0.0000 172.4181 749 A 4.6636 7.8279 120.2536 50.6826 23.4258 177.8324 750 G 3.7803 8.4171 107.9538 46.6953 0.0000 177.6208 751 S 4.1498 8.9049 118.5453 60.9144 63.0148 174.9701 752 G 3.9590 8.0491 108.4146 45.0826 0.0000 172.9658 753 E 3.6840 8.0228 122.1029 57.5088 29.7177 176.9930 754 G 3.0355 8.2532 115.7691 44.7686 0.0000 173.6392 755 F 5.0131 7.9445 117.7243 57.1640 40.4242 174.4247 756 N 5.4008 8.0929 118.3438 51.8432 41.9223 173.1004 757 V 4.3249 9.0578 126.5724 61.3451 34.2331 174.2758 758 N 4.8315 8.7278 126.9339 51.7994 39.1227 175.7471 759 V 3.5539 8.1112 126.2576 61.8780 30.2285 172.6106 760 A 4.2414 7.4997 124.0789 49.9780 19.8404 176.8284 761 W 4.8194 9.1223 123.8337 56.5713 30.5310 175.8943 762 A 5.1377 9.2427 125.6457 50.2628 21.9795 175.7906 763 G 3.7920 8.7521 104.9626 45.5089 0.0000 175.9136 764 G 3.8345 7.5906 108.6196 45.7864 0.0000 174.3175 765 L 4.5109 8.3388 117.6821 54.8676 42.5473 175.4333 766 D 4.8328 7.6497 118.2241 51.5359 43.8270 173.2000 767 P 4.5770 0.0000 0.0000 61.3248 32.6241 173.6743 768 P 4.6201 0.0000 0.0000 62.2544 32.1291 176.2503 769 M 3.8852 8.3507 123.3992 53.7011 33.2619 173.6545 770 G 3.9379 8.8029 115.4762 44.8884 0.0000 174.9891 771 D 4.1227 8.9655 121.0015 56.9498 40.8602 176.3214 772 P 4.1040 0.0000 0.0000 65.6599 31.1823 178.5244 773 E 3.7908 7.8071 116.6129 59.6944 29.4595 178.9188 774 Y 3.9094 7.8308 116.4173 60.7069 37.8174 178.6237 775 L 3.8061 8.2375 120.2371 57.6262 41.6897 178.9053 776 A 3.9628 8.1682 120.8990 55.4318 18.2010 179.3548 777 A 3.9560 8.3474 119.0509 55.4761 18.4657 179.9159 778 F 3.8828 8.4699 116.0020 60.7368 38.8023 177.8730 779 R 3.9383 8.3714 116.5592 59.3963 30.0088 178.3851 780 I 4.1155 7.8809 117.3382 62.5662 38.1390 176.9079 781 V 3.9695 7.8206 117.2886 64.5575 32.5762 177.9330 782 V 3.1264 7.1369 116.9415 66.2019 31.4555 177.9522 783 M 3.8650 7.5706 118.2391 57.6940 31.8353 176.9966 784 P 4.1704 0.0000 0.0000 65.7056 31.5269 178.6950 785 I 3.1848 7.3943 118.2747 63.9430 36.7722 178.4126 786 A 3.8953 7.8155 121.5856 55.3229 18.0343 179.9203 787 R 3.9337 7.8555 115.3515 59.3356 30.2583 178.6562 788 E 4.1752 8.3081 119.2700 59.2936 29.4730 178.6886 789 F 4.5870 8.5994 119.9989 58.9124 40.6987 174.8817 790 S 3.5780 8.1765 108.2535 58.5213 60.3201 169.3743 791 P 4.3708 0.0000 0.0000 62.1637 32.3893 177.8434 792 D 4.5813 9.0750 120.4640 56.6484 41.6041 176.6422 793 L 4.6781 7.7527 118.3775 53.4890 46.2099 174.5745 794 V 4.7855 8.5837 124.3828 61.2247 33.8795 174.0932 795 L 5.0395 9.1426 128.4984 53.1331 44.1605 175.5690 796 V 4.3897 8.7219 123.7944 61.2407 33.4331 175.3133 797 S 4.4655 9.0055 125.6238 58.1826 62.0328 172.5593 798 A 3.6984 8.6241 128.7236 50.1749 17.1746 176.6442 799 G 3.8812 7.7557 107.7654 44.9888 0.0000 170.8634 800 F 4.9078 8.9459 119.7801 56.9967 39.9821 176.6823 801 D 4.1286 8.4608 119.1663 54.3438 39.8461 176.4969 802 A 4.3321 8.0789 122.3769 53.0187 19.3334 177.3049 803 A 5.4587 7.5918 118.3885 50.9160 19.1084 177.1236 804 E 4.0661 8.6077 120.8041 58.1350 30.0551 177.1522 805 G 3.9388 9.2660 113.5009 45.5299 0.0000 172.4936 806 H 4.7146 8.0353 116.7712 52.9403 30.2693 172.2214 807 P 4.8266 0.0000 0.0000 61.7604 32.1294 175.3891 808 A 4.6295 8.4004 122.9681 51.3614 19.6179 176.6865 809 P 5.2031 0.0000 0.0000 61.8030 30.6878 174.7874 810 L 5.0638 9.6389 114.4445 54.2961 42.3414 179.7638 811 G 4.3038 9.2518 113.7719 45.0231 0.0000 173.8699 812 G 3.9249 6.5275 111.3902 45.0676 0.0000 173.1908 813 Y 4.8697 7.5371 117.4309 57.2804 39.7598 174.5481 814 H 4.8237 8.6913 116.6735 55.4512 29.9719 174.7229 815 V 3.7560 8.0619 119.8238 62.5057 32.5327 175.1330 816 S 4.8638 9.3539 122.0734 57.1980 65.7448 175.1450 817 A 4.1483 8.6316 125.4856 55.8015 18.1425 180.3016 818 K 3.9966 8.2031 116.1972 59.7017 32.0891 178.9465 819 C 3.9292 8.5894 119.1627 62.6388 31.4833 175.5650 820 F 3.6718 7.6742 118.9547 60.4379 38.3933 177.9724 821 G 3.6894 8.0183 104.8454 47.6831 0.0000 175.3373 822 Y 4.3527 8.5471 122.3088 60.7071 38.7478 177.6619 823 M 3.4745 8.3042 120.0025 58.4248 32.0614 178.6765 824 T 4.1797 8.0808 115.9288 66.8376 68.4655 176.3330 825 Q 3.9848 7.9182 119.8549 59.3109 29.4575 177.6544 826 Q 4.0822 8.1686 119.4428 59.4444 28.8630 179.6327 827 L 4.1643 8.4051 119.3528 57.9066 41.7765 179.2542 828 M 4.3219 7.9806 117.6756 57.4093 31.7057 177.5785 829 N 4.6235 8.1507 115.4415 54.3917 39.1736 174.8988 830 L 4.5737 7.7748 118.8584 53.6776 43.7882 175.7853 831 A 3.9661 8.7544 119.8813 52.2541 16.0889 178.6230 832 G 3.8987 9.1340 104.0160 47.9563 0.0000 175.6848 833 G 4.2291 8.4522 106.6142 44.1664 0.0000 175.1649 834 A 4.5844 7.6144 123.3604 50.5562 17.8412 175.3297 835 V 4.8056 7.9950 119.6398 60.7266 35.3402 173.9568 836 V 4.6308 8.6686 127.6609 61.0490 33.7589 174.3674 837 L 4.7103 9.0230 129.1787 54.4781 43.2029 176.2574 838 A 5.0780 8.9689 124.6321 49.6709 21.8833 175.1702 839 L 4.3471 8.9117 125.3374 57.7442 42.6607 174.0408 840 E 4.2473 9.0059 123.3466 56.8628 31.3845 178.3118 841 G 4.2079 6.0334 122.1516 45.2949 0.0000 174.0412 842 G 4.5154 10.0615 107.1960 46.5355 0.0000 173.2214 843 H 4.9316 8.8013 115.0524 53.9599 30.8741 173.5971 844 D 4.3047 7.9177 120.7334 54.1054 41.8456 176.2513 845 L 4.0381 8.5802 127.7589 58.0141 41.7903 179.5036 846 T 3.7750 7.9274 108.9356 64.8262 68.8974 175.9105 847 A 3.9969 8.6142 125.4083 54.8202 18.5133 179.6153 848 I 3.7784 8.0966 110.6826 63.3877 37.8693 178.0247 849 C 4.1418 7.8748 118.9850 62.5114 28.3027 175.2672 850 D 4.3381 8.6567 120.6477 57.5950 40.4551 179.0597 851 A 3.8177 7.7595 120.9170 55.0032 18.2401 179.8866 852 S 3.8064 7.4324 113.4646 61.9283 62.8869 175.7229 853 E 3.8654 8.3479 121.5558 59.0223 29.1314 178.3911 854 A 3.9944 8.1250 119.5539 55.9029 18.6492 179.5419 855 C 4.1723 8.1358 114.8080 62.9001 27.9337 176.5967 856 V 3.6924 7.8466 118.8781 65.6577 31.4962 177.4837 857 A 4.1638 8.6377 120.7309 55.3356 18.2461 179.4543 858 A 4.3470 8.2607 120.6725 54.9441 18.2757 179.7276 859 L 4.0972 7.8892 116.2263 57.7547 41.6852 178.7984 860 L 4.5459 7.5608 116.6586 54.5215 41.5972 177.4282 861 G 3.9253 8.0701 106.8553 45.5400 0.0000 173.3356 862 N 4.6928 7.9234 117.8580 52.5358 39.9343 174.0780 863 R 4.7571 8.3708 122.8043 54.3344 33.0176 175.2723 864 V 4.2056 8.3582 120.3310 61.0613 33.4203 174.6350 865 D 4.6061 8.3596 126.8445 52.5407 41.0852 175.0669 866 P 4.3625 0.0000 0.0000 65.0632 31.6136 177.9462 867 L 4.1719 7.6716 117.3662 56.6876 41.7047 178.3956 868 S 4.1091 7.5542 112.8147 59.8205 63.4479 174.0301 869 E 4.2309 7.3884 121.3856 54.4326 30.3862 176.6522 870 E 4.1230 8.5605 123.4722 58.7245 29.9664 179.0254 871 G 3.7203 7.9446 106.3576 47.2042 0.0000 173.9646 872 W 4.7628 7.6138 116.8492 56.7003 29.6536 176.9826 873 K 4.2880 7.6681 117.6345 57.3675 32.1716 177.2474 874 Q 4.1356 7.8597 119.4590 55.7650 29.6254 175.3770 875 K 4.3478 8.2656 122.8414 54.4831 33.2462 175.2873 876 P 4.3564 0.0000 0.0000 63.0411 31.6796 176.2812 877 N 4.6184 8.7749 118.6184 52.3921 39.6154 176.1000 878 L 3.9902 8.2382 121.3574 57.9669 42.2441 178.0153 879 N 4.2790 8.3038 116.0010 56.6495 38.4862 176.9660 880 A 4.2720 8.6575 122.1296 54.9567 18.4386 179.5955 881 I 3.6691 7.8872 118.4365 64.9033 37.2818 178.8732 882 R 4.0946 8.0896 118.5995 59.3533 29.8099 179.4136 883 S 4.1992 8.0387 114.6399 61.5269 62.7684 176.6999 884 L 3.9550 8.1154 121.7901 57.4656 41.4328 178.9969 885 E 3.9206 8.7771 118.8134 59.4923 29.4501 179.1880 886 A 3.9452 7.9683 120.3832 55.2662 18.3632 179.5395 887 V 3.5152 7.6065 116.5322 66.4263 31.4243 178.2173 888 I 3.6908 7.9068 119.3242 64.3909 36.7388 178.2938 889 R 3.8548 7.6503 118.0965 59.5453 29.9624 178.4565 890 V 3.7503 7.6443 116.7015 65.9873 31.8886 176.9848 891 H 4.8854 8.5738 114.4038 56.3663 28.7753 177.2281 892 S 4.2229 8.1352 118.2006 60.7418 62.6611 176.1952 893 K 3.7662 7.8398 121.7606 58.4363 31.9510 176.6439 894 Y 4.2510 7.6465 114.9888 57.2701 39.9698 175.7473 895 W 5.0269 7.2531 118.8600 53.2101 32.2965 175.8813 896 G 3.8683 9.3930 113.3339 48.9276 0.0000 174.8537 897 C 4.3043 8.5557 113.3790 60.2175 29.4133 174.0860 898 M 4.4483 8.2605 119.3438 55.2458 32.4621 176.1295 899 Q 4.1817 7.8601 123.6205 56.0962 28.9254 175.5749 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 519 T 8.03 4.43 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 1.25 0.00 0.00 520 T 8.24 4.70 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 1.36 0.00 0.00 521 G 9.67 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 0.00 0.00 0.00 0.00 522 L 8.93 5.61 0.00 1.98 1.99 0.95 0.85 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 0.00 523 I 8.49 5.05 1.86 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 1.18 0.97 0.94 0.00 0.00 524 Y 8.32 4.48 0.00 1.86 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 0.00 525 D 6.98 4.34 0.00 3.02 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 0.00 526 S 8.35 3.80 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 V 7.07 3.06 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 0.31 0.00 0.00 -0.16 0.00 0.00 528 M 7.45 4.08 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.77 0.00 529 L 7.72 4.07 0.00 1.57 1.66 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 530 K 7.16 3.77 0.00 1.65 1.39 0.00 1.46 0.00 0.00 1.22 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.14 7.81 531 H 7.43 4.34 0.00 2.96 3.19 0.00 5.98 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 Q 7.78 4.37 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 533 C 8.13 4.22 0.00 2.65 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 0.00 534 S 8.60 4.23 0.00 4.03 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 0.00 535 C 8.14 4.12 0.00 3.12 3.15 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 0.00 536 G 7.79 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 0.00 537 D 7.87 4.67 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 N 8.44 4.61 0.00 2.64 2.57 0.00 0.00 7.12 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 0.00 539 S 8.21 4.20 0.00 3.81 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 R 7.59 4.06 0.00 1.85 2.01 0.00 3.01 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.09 0.00 541 H 7.36 4.73 0.00 3.04 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 P 0.00 4.28 0.00 2.00 1.92 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 543 E 7.16 4.07 0.00 1.16 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 2.30 2.13 0.00 544 H 7.50 4.85 0.00 3.46 3.53 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 A 8.57 4.12 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 0.00 546 G 8.38 3.72 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 0.00 0.00 0.00 547 R 7.81 3.95 0.00 1.95 2.06 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 548 I 7.72 3.96 2.06 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.98 0.00 0.00 549 Q 8.03 4.15 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 550 S 8.25 4.19 0.00 4.16 4.22 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 0.00 551 I 7.64 3.74 2.04 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 1.55 0.76 1.16 0.00 0.00 552 W 8.25 4.27 0.00 2.86 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 0.00 553 S 8.38 4.01 0.00 4.07 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 0.00 554 R 8.16 4.16 0.00 1.95 2.22 0.00 3.16 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 555 L 7.88 4.02 0.00 1.47 1.56 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 556 Q 7.46 3.68 0.00 1.76 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 557 E 8.12 3.95 0.00 2.20 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 2.30 2.48 0.00 558 R 7.50 4.61 0.00 1.68 1.91 0.00 3.45 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 559 G 7.79 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 0.00 0.00 0.00 560 L 8.04 4.26 0.00 1.75 1.72 0.93 1.24 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 0.00 561 R 7.70 3.81 0.00 1.57 1.63 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 562 S 8.01 4.14 0.00 3.81 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 0.00 563 Q 7.74 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 564 C 7.06 4.91 0.00 2.92 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 0.00 565 E 9.16 4.25 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 566 C 8.67 5.22 0.00 3.05 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 L 9.44 4.95 0.00 1.58 1.58 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 568 R 8.42 4.53 0.00 1.94 2.31 0.00 3.47 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 569 G 9.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 R 6.55 2.89 0.00 1.42 1.59 0.00 2.75 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 571 K 7.71 4.40 0.00 1.62 1.79 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.84 1.90 7.81 572 A 8.59 4.21 1.09 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 0.00 0.00 573 S 8.97 4.28 0.00 4.11 3.93 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 0.00 574 L 8.34 3.95 0.00 1.72 1.73 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 575 E 7.96 4.01 0.00 1.88 1.98 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 2.29 2.44 0.00 576 E 7.91 4.23 0.00 2.04 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 2.24 2.26 0.00 577 L 7.71 3.92 0.00 1.69 1.39 0.43 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 578 Q 7.84 4.50 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 579 S 7.80 4.31 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 V 7.75 4.08 2.01 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 0.64 0.00 0.00 0.91 0.00 0.00 581 H 8.19 5.04 0.00 3.43 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.59 4.45 0.00 3.91 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 0.00 583 E 8.76 3.98 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 584 R 7.95 3.87 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 585 H 8.28 4.23 0.00 3.40 3.56 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 V 8.11 3.87 2.14 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 1.00 0.00 0.00 1.03 0.00 0.00 587 L 8.05 3.98 0.00 1.94 1.68 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 588 L 7.94 3.61 0.00 1.31 1.43 0.23 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 628 I 8.50 4.37 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 1.10 0.44 0.88 0.00 0.00 629 W 9.05 4.79 0.00 3.43 3.06 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 0.00 630 N 8.90 4.38 0.00 2.74 2.44 0.00 0.00 6.97 7.40 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 0.00 631 E 8.68 4.01 0.00 1.95 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 2.46 2.45 0.00 632 L 7.66 4.38 0.00 1.31 1.21 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 633 H 7.58 4.70 0.00 3.06 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 S 7.42 3.66 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 S 6.63 4.29 0.00 3.97 3.94 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 0.00 677 M 8.65 4.22 0.00 2.11 2.12 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 2.46 2.34 0.00 678 G 9.18 3.28 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 0.00 679 F 8.09 4.15 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 C 7.49 5.12 0.00 3.08 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 681 F 8.81 4.03 0.00 2.48 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 0.00 0.00 0.00 682 F 7.74 4.95 0.00 3.12 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 0.00 683 N 9.05 4.98 0.00 3.03 2.81 0.00 0.00 7.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 S 8.53 4.26 0.00 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 I 8.28 4.59 1.57 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.39 0.62 0.00 0.00 728 S 8.15 4.98 0.00 3.57 3.84 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 0.00 729 L 8.50 5.14 0.00 1.84 1.67 1.11 0.85 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 0.00 730 H 8.43 5.20 0.00 3.58 3.56 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 731 R 8.62 4.43 0.00 1.24 1.37 0.00 2.35 0.00 0.00 2.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.28 0.00 732 H 9.69 4.76 0.00 3.22 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 D 9.04 4.53 0.00 2.93 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 0.00 734 D 9.27 4.29 0.00 2.83 2.74 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 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 826 Q 8.17 4.08 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.06 1.83 0.00 827 L 8.41 4.16 0.00 2.01 1.83 1.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 828 M 7.98 4.32 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 829 N 8.15 4.62 0.00 2.92 2.88 0.00 0.00 6.88 7.24 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 0.00 830 L 7.77 4.57 0.00 1.87 1.58 0.94 0.73 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 0.00 831 A 8.75 3.97 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 0.00 832 G 9.13 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 0.00 0.00 0.00 833 G 8.45 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.71 0.00 867 L 7.67 4.17 0.00 1.64 1.69 0.92 1.33 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 0.00 868 S 7.55 4.11 0.00 3.85 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 0.00 869 E 7.39 4.23 0.00 1.16 1.13 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 1.47 1.47 0.00 870 E 8.56 4.12 0.00 1.93 1.95 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 2.33 2.20 0.00 871 G 7.94 3.72 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 0.00 0.00 0.00 872 W 7.61 4.76 0.00 3.36 3.10 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 0.00 873 K 7.67 4.29 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.53 7.81 874 Q 7.86 4.14 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 875 K 8.27 4.35 0.00 1.77 1.70 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.41 7.81 876 P 0.00 4.36 0.00 2.14 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 877 N 8.77 4.62 0.00 2.94 2.91 0.00 0.00 6.75 6.47 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 0.00 878 L 8.24 3.99 0.00 1.77 1.69 0.93 0.56 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 0.00 879 N 8.30 4.28 0.00 2.98 3.13 0.00 0.00 7.05 8.03 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 0.00 880 A 8.66 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881 I 7.89 3.67 2.03 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 1.81 0.85 0.93 0.00 0.00 882 R 8.09 4.09 0.00 2.06 2.01 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 883 S 8.04 4.20 0.00 4.30 4.13 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 0.00 884 L 8.12 3.95 0.00 1.91 1.70 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 885 E 8.78 3.92 0.00 2.19 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 2.34 2.54 0.00 886 A 7.97 3.95 1.37 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 0.00 0.00 887 V 7.61 3.52 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 1.00 0.00 0.00 0.86 0.00 0.00 888 I 7.91 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.94 0.00 0.00 889 R 7.65 3.85 0.00 1.83 2.22 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 890 V 7.64 3.75 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 0.93 0.00 0.00 0.99 0.00 0.00 891 H 8.57 4.89 0.00 3.46 3.63 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 S 8.14 4.22 0.00 3.98 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 0.00 893 K 7.84 3.77 0.00 1.43 1.44 0.00 1.44 0.00 0.00 1.27 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.95 7.81 894 Y 7.65 4.25 0.00 2.63 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 0.00 0.00 0.00 0.00 895 W 7.25 5.03 0.00 3.39 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 G 9.39 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 0.00 0.00 0.00 897 C 8.56 4.30 0.00 3.12 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 0.00 898 M 8.26 4.45 0.00 2.13 2.45 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 899 Q 7.86 4.18 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.