NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 541 R 4.0784 8.1014 117.2707 56.8814 31.5512 174.3338 542 G 4.7674 8.0302 103.2945 43.1861 0.0000 170.2862 543 K 5.2338 9.8490 118.4556 54.4891 37.4987 174.0879 544 I 5.1965 8.8395 123.1642 59.1109 41.2201 174.0413 545 L 3.8665 9.4135 132.5304 54.4538 42.9064 175.3278 546 V 4.8656 8.5405 127.3306 61.0160 34.2998 174.2375 547 S 5.1753 9.9747 123.7123 56.8696 64.8260 173.8092 548 L 5.0650 9.6211 126.1992 53.3403 44.2578 175.5681 549 M 4.8068 7.7029 122.1217 55.8159 36.5233 173.0242 550 Y 4.9164 8.5000 127.7658 56.1360 41.1123 175.7119 551 S 4.5973 8.1589 122.5162 56.1631 61.6018 174.0096 552 T 4.1238 8.5777 114.9016 64.4174 68.8606 175.8228 553 Q 4.1225 8.3360 121.7164 59.0432 28.8814 177.6296 554 Q 4.1960 7.9770 113.9628 56.2916 29.3221 175.7380 555 G 3.8644 9.2107 106.1789 45.8985 0.0000 172.8849 556 G 4.0840 7.1451 104.4563 44.4567 0.0000 172.2891 557 L 5.2398 8.5665 121.7917 53.7198 45.0874 175.1191 558 I 5.3261 9.0767 122.7634 58.4262 40.6348 174.5515 559 V 4.6966 8.9599 127.2367 61.0934 33.6161 174.3046 560 G 4.8259 9.5795 116.1009 43.9704 0.0000 172.3991 561 I 4.1152 9.4448 129.7257 60.2913 36.5787 176.7141 562 I 4.2526 8.8550 129.1024 62.2607 36.6414 177.2659 563 R 5.4421 7.3946 116.2288 55.8604 33.6046 172.6877 564 C 5.4975 8.8756 112.8756 57.1976 33.5285 173.3729 565 V 4.7306 9.5766 112.5848 60.4701 36.4187 174.3865 566 H 4.1814 10.0631 118.4764 56.9718 26.5922 175.1673 567 L 5.3382 7.9788 116.7442 53.2566 42.7478 177.4428 568 A 4.1537 8.2920 123.5826 51.9484 19.1397 176.7648 569 A 5.2930 8.1940 121.6552 50.4039 20.4562 176.9138 570 M 4.3363 9.3190 123.3281 56.3266 33.0973 176.4482 571 D 4.8797 7.8154 118.0207 52.4481 42.8195 176.9517 572 A 4.2762 8.4099 122.7497 54.0021 18.4583 178.3655 573 N 4.4741 8.0644 112.3939 54.0617 39.0642 176.1581 574 G 4.0880 8.6395 106.5972 45.2689 0.0000 172.2408 575 Y 4.9334 7.6571 117.2202 56.8777 42.4304 173.6455 576 S 5.0724 8.4491 114.1416 57.9979 67.6921 173.7468 577 D 5.8500 9.3462 117.4793 52.0685 40.4176 174.8103 578 P 5.0131 0.0000 0.0000 63.0742 33.3324 177.0249 579 F 5.7207 9.7135 116.9856 55.4412 41.9752 173.1876 580 V 4.7411 8.0399 118.7496 61.0137 33.9612 174.2941 581 K 5.3800 9.5431 127.6980 53.9949 35.1099 175.0594 582 L 5.3442 8.1221 122.8878 51.8198 45.6569 175.5405 583 W 6.1785 8.4743 132.1820 56.3700 33.9588 172.6608 584 L 4.7294 9.1577 130.2413 53.7350 42.6926 175.6625 585 K 4.9028 7.9117 124.3002 53.6854 35.4272 175.3504 586 P 4.0888 0.0000 0.0000 64.2330 31.2630 177.6244 587 D 5.1621 8.3535 112.3438 53.7468 38.4579 173.7861 588 M 4.6005 8.3932 116.2921 55.4976 34.0816 175.6153 589 G 4.0987 8.0356 105.6558 44.8012 0.0000 172.5618 590 K 4.2144 8.4019 116.4535 56.3471 31.4963 177.7280 591 K 4.3747 7.6324 116.2299 56.0615 32.9967 177.6528 592 A 3.7104 7.5671 123.1548 53.9457 18.6496 178.1398 593 K 4.8884 6.7789 114.8994 56.5827 33.4426 175.8593 594 H 5.2262 8.9321 118.9669 55.0840 34.1917 172.4621 595 K 4.9746 8.4975 117.0248 56.6548 34.4669 175.9810 596 T 4.5367 9.8547 117.2609 60.6116 70.0239 174.3331 597 Q 4.0445 8.9216 120.6612 56.4765 29.3302 177.2315 598 I 4.1103 8.1261 121.7222 60.9278 37.8628 177.3415 599 K 4.4378 8.7695 130.0352 54.8097 30.1264 176.4230 600 K 4.4910 8.0427 120.8505 56.8609 33.2766 177.9040 601 K 3.9448 9.7410 120.9991 55.9594 29.7902 174.3472 602 T 4.4804 8.4508 111.2696 61.8664 71.2803 173.0758 603 L 4.5859 7.8260 125.5621 53.8945 44.3050 175.7598 604 N 5.9542 7.6883 115.1659 50.6580 38.5109 171.5567 605 P 4.6181 0.0000 0.0000 62.0040 35.0089 175.4170 606 E 4.4825 8.1508 119.6347 55.1749 31.4333 175.6027 607 F 4.3450 9.0093 126.3296 59.3909 39.3655 177.0611 608 N 4.1916 9.1509 115.5420 54.9187 37.7340 173.6566 609 E 4.7022 8.9498 116.9902 54.6130 32.4049 175.9585 610 E 4.9632 8.6880 123.8813 55.0477 30.8507 175.8265 611 F 4.6677 10.6013 124.1494 56.2134 42.1278 174.8438 612 F 5.6700 8.7023 121.3217 57.6018 41.8047 173.0797 613 Y 4.3095 10.1597 124.8658 56.3180 40.2908 174.9226 614 D 5.0924 8.2797 122.1047 52.6849 39.5129 174.9241 615 I 4.7362 7.4495 120.5421 58.3844 41.8465 174.3115 616 K 4.3434 8.6045 126.1218 56.3557 32.6794 177.2099 617 H 3.3116 9.3867 123.2824 59.7625 29.3199 177.3076 618 S 4.0425 8.0825 114.5915 60.9944 62.8715 175.3059 619 D 4.6615 8.9677 121.9945 56.0251 41.1208 178.1173 620 L 3.7989 7.4106 117.9080 57.8700 41.4037 179.2335 621 A 3.8998 7.5729 119.4893 55.5851 18.4152 179.7507 622 K 3.9493 7.7036 114.6605 58.6897 32.4001 177.6110 623 K 4.4693 9.2897 119.9350 55.9572 34.0610 176.6121 624 S 4.0791 7.7807 115.4693 57.0968 64.6426 172.6981 625 L 3.9404 8.6994 129.8155 54.6605 43.0569 175.0912 626 D 4.8248 8.7148 127.4858 52.8572 42.0453 174.5178 627 I 4.5695 8.3212 127.1813 60.2751 38.1547 174.9101 628 S 5.1012 9.2673 124.1772 56.5117 66.4064 173.5169 629 V 4.9095 9.5296 124.6446 61.1862 33.3500 174.4893 630 W 5.1182 8.4506 127.6165 54.8468 33.0307 174.1528 631 D 5.1887 10.0183 123.6039 54.2023 42.0310 174.9655 632 Y 5.0549 9.9898 127.5287 56.9031 40.7905 174.5116 633 D 4.8376 6.5297 121.5198 53.0148 45.5561 174.9482 634 I 3.9808 8.6446 117.9239 61.6367 38.4625 176.4691 635 G 3.9563 8.9815 111.2129 45.8434 0.0000 173.0105 636 K 4.4773 7.2762 116.7089 55.3964 35.4309 175.4028 637 S 4.7509 8.3377 115.6337 57.8042 65.2423 173.8724 638 N 5.0336 8.3272 118.5754 53.1614 39.2201 173.6263 639 D 5.0562 9.5746 116.6500 53.6859 46.0719 174.2043 640 Y 4.1089 8.7156 122.9122 57.1072 38.8088 174.5846 641 I 4.0555 8.9775 127.2949 61.0509 38.6131 176.4722 642 G 3.9611 7.0981 113.7908 45.5138 0.0000 171.6158 643 G 4.2534 7.8334 105.8748 47.0389 0.0000 171.4797 644 C 4.9504 8.8007 119.1562 58.8978 35.7730 173.7319 645 Q 4.8607 8.4839 120.6352 54.0303 30.5289 175.8132 646 L 4.4457 9.4889 123.8159 52.7724 44.2451 175.3580 647 G 3.3729 7.8026 109.9302 44.6028 0.0000 171.5062 648 I 3.4881 8.4107 124.2066 63.6717 38.0753 176.7627 649 S 4.1742 7.9093 112.3252 59.5690 62.4037 173.5336 650 A 4.4310 8.5073 124.0730 52.1433 19.1855 176.7858 651 K 4.5580 8.4323 117.6710 56.0245 35.3645 174.2688 652 G 3.9276 8.4114 115.2920 45.6817 0.0000 173.7008 653 E 4.8306 8.2315 118.0740 56.3618 36.5600 177.7251 654 R 4.0454 8.3485 117.4432 59.5674 29.8131 178.6524 655 L 4.3014 8.0441 119.7616 57.7221 41.7998 178.9890 656 K 4.0124 8.3364 119.2643 60.2967 32.3465 178.7567 657 H 4.9273 8.1277 119.4204 58.6569 30.2837 176.0510 658 W 4.2536 9.2993 131.1296 58.8834 30.0929 177.3448 659 Y 4.0491 7.9328 119.2657 60.5011 39.7159 178.6522 660 E 3.6411 8.1317 118.2401 60.0249 29.0204 178.5577 661 C 3.8797 8.5167 119.4135 62.4968 31.5156 175.4295 662 L 3.9299 8.1513 120.6184 57.2864 41.1475 179.2572 663 K 4.1734 7.8090 117.6423 58.8473 34.1924 177.7360 664 N 4.7462 8.7338 120.2995 51.0913 37.0782 174.8461 665 K 4.1307 7.2639 118.5155 59.5338 33.0075 178.8286 666 D 4.4494 8.3086 126.1419 55.9590 39.9272 177.5526 667 K 4.3382 7.2412 118.2805 55.2351 33.0410 176.3022 668 K 4.3857 8.5575 123.0477 56.3452 32.6993 176.7251 669 I 4.4750 9.2059 127.5378 59.6102 38.3155 174.3637 670 E 5.6165 8.4365 124.3880 53.9087 32.4205 175.2175 671 R 4.3660 7.7709 114.8543 55.5950 32.3117 172.9229 672 W 4.7716 8.9016 120.2994 56.3065 30.2837 175.5107 673 H 5.0488 9.1620 121.8603 54.0928 31.0939 173.7252 674 Q 4.5827 8.7083 121.8351 55.1361 29.3632 175.8928 675 L 4.3424 8.6861 125.3570 55.0529 42.3517 176.6203 676 Q 4.5857 9.3131 121.3244 54.0401 33.4793 173.6593 677 N 4.0645 8.4475 119.4477 52.5343 39.4522 173.2306 678 E 4.2366 8.5686 126.7958 56.3115 31.1242 175.9239 679 N 4.8950 7.9664 127.2293 51.3957 38.1486 174.1607 680 H 4.6257 8.6150 123.7598 56.7102 29.9754 174.8801 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 541 R 8.10 4.08 0.00 1.93 2.16 0.00 2.82 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 542 G 8.03 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 K 9.85 5.23 0.00 1.77 2.06 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.38 7.81 544 I 8.84 5.20 2.02 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 1.47 1.92 0.98 0.00 0.00 545 L 9.41 3.87 0.00 0.27 0.92 -0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 546 V 8.54 4.87 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 1.13 0.00 0.00 1.02 0.00 0.00 547 S 9.97 5.18 0.00 3.96 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 0.00 548 L 9.62 5.07 0.00 1.55 1.65 1.19 0.78 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 0.00 549 M 7.70 4.81 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.80 0.00 550 Y 8.50 4.92 0.00 2.91 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 0.00 551 S 8.16 4.60 0.00 3.83 3.64 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 0.00 552 T 8.58 4.12 4.36 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 1.35 0.00 0.00 553 Q 8.34 4.12 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 554 Q 7.98 4.20 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.30 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 555 G 9.21 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 0.00 556 G 7.15 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 0.00 0.00 0.00 557 L 8.57 5.24 0.00 2.29 1.85 1.11 1.30 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 0.00 558 I 9.08 5.33 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.84 1.06 0.00 0.00 559 V 8.96 4.70 2.36 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 1.02 0.00 0.00 1.28 0.00 0.00 560 G 9.58 4.83 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 0.00 0.00 0.00 561 I 9.44 4.12 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.69 0.00 0.00 562 I 8.85 4.25 1.78 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 1.25 0.73 0.90 0.00 0.00 563 R 7.39 5.44 0.00 2.21 2.05 0.00 3.13 0.00 0.00 4.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 564 C 8.88 5.50 0.00 3.27 3.37 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 0.00 565 V 9.58 4.73 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 0.83 0.00 0.00 0.56 0.00 0.00 566 H 10.06 4.18 0.00 3.15 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 L 7.98 5.34 0.00 1.64 1.61 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 568 A 8.29 4.15 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 0.00 569 A 8.19 5.29 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 0.00 570 M 9.32 4.34 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.81 0.00 571 D 7.82 4.88 0.00 2.80 2.63 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 0.00 572 A 8.41 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.47 0.00 2.76 2.87 0.00 0.00 7.22 7.65 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 0.00 574 G 8.64 4.09 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 0.00 575 Y 7.66 4.93 0.00 2.89 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 0.00 576 S 8.45 5.07 0.00 3.83 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 0.00 577 D 9.35 5.85 0.00 3.15 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 0.00 578 P 0.00 5.01 0.00 2.35 2.32 0.00 4.15 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 579 F 9.71 5.72 0.00 3.37 3.29 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 0.00 580 V 8.04 4.74 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 0.85 0.00 0.00 0.33 0.00 0.00 581 K 9.54 5.38 0.00 1.67 1.76 0.00 1.31 0.00 0.00 1.29 0.00 0.00 3.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.60 1.37 7.81 582 L 8.12 5.34 0.00 1.55 1.48 -0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 583 W 8.47 6.18 0.00 3.29 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 L 9.16 4.73 0.00 0.84 1.75 0.51 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 585 K 7.91 4.90 0.00 1.50 1.62 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.50 7.81 586 P 0.00 4.09 0.00 2.07 2.15 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 587 D 8.35 5.16 0.00 3.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 M 8.39 4.60 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 589 G 8.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 K 8.40 4.21 0.00 1.65 1.66 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.31 7.81 591 K 7.63 4.37 0.00 1.71 1.70 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.32 7.81 592 A 7.57 3.71 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 K 6.78 4.89 0.00 1.27 1.62 0.00 1.19 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 0.64 7.81 594 H 8.93 5.23 0.00 2.73 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 K 8.50 4.97 0.00 2.06 1.89 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.36 7.81 596 T 9.85 4.54 4.37 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 1.30 0.00 0.00 597 Q 8.92 4.04 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 598 I 8.13 4.11 1.49 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.09 0.60 0.00 0.00 599 K 8.77 4.44 0.00 1.95 1.71 0.00 1.19 0.00 0.00 1.51 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 0.73 7.81 600 K 8.04 4.49 0.00 1.68 1.97 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.37 7.81 601 K 9.74 3.94 0.00 1.76 1.82 0.00 1.85 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.53 7.81 602 T 8.45 4.48 4.37 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 1.30 0.00 0.00 603 L 7.83 4.59 0.00 1.31 1.65 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 604 N 7.69 5.95 0.00 2.50 2.70 0.00 0.00 7.15 7.87 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 0.00 605 P 0.00 4.62 0.00 1.79 2.12 0.00 3.60 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 1.65 1.85 0.00 606 E 8.15 4.48 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 607 F 9.01 4.34 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 N 9.15 4.19 0.00 2.75 2.91 0.00 0.00 7.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 E 8.95 4.70 0.00 2.07 1.88 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 2.31 2.46 0.00 610 E 8.69 4.96 0.00 1.80 1.89 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 2.27 2.34 0.00 611 F 10.60 4.67 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 F 8.70 5.67 0.00 2.87 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 0.00 613 Y 10.16 4.31 0.00 3.24 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 0.00 614 D 8.28 5.09 0.00 2.48 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.74 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 1.17 0.00 0.00 616 K 8.60 4.34 0.00 1.87 1.78 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.41 7.81 617 H 9.39 3.31 0.00 2.86 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 S 8.08 4.04 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 D 8.97 4.66 0.00 2.78 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 0.00 620 L 7.41 3.80 0.00 1.43 1.32 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 621 A 7.57 3.90 0.98 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 0.00 622 K 7.70 3.95 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 623 K 9.29 4.47 0.00 1.82 1.64 0.00 1.75 0.00 0.00 1.95 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.74 1.48 7.81 624 S 7.78 4.08 0.00 3.48 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 3.94 0.00 1.15 1.17 0.59 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 626 D 8.71 4.82 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 I 8.32 4.57 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.20 0.88 0.00 0.00 628 S 9.27 5.10 0.00 4.10 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 0.00 629 V 9.53 4.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 630 W 8.45 5.12 0.00 2.03 3.18 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 0.00 0.00 0.00 0.00 631 D 10.02 5.19 0.00 2.81 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 0.00 632 Y 9.99 5.05 0.00 2.87 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 0.00 633 D 6.53 4.84 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 I 8.64 3.98 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 1.15 0.00 0.00 635 G 8.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 K 7.28 4.48 0.00 1.69 1.70 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.51 7.81 637 S 8.34 4.75 0.00 3.74 3.81 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 0.00 638 N 8.33 5.03 0.00 3.29 2.96 0.00 0.00 6.02 7.72 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 0.00 639 D 9.57 5.06 0.00 2.88 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 0.00 640 Y 8.72 4.11 0.00 2.41 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 0.00 0.00 0.00 0.00 641 I 8.98 4.06 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.87 0.00 0.00 642 G 7.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 G 7.83 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 0.00 644 C 8.80 4.95 0.00 2.88 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 0.00 645 Q 8.48 4.86 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 646 L 9.49 4.45 0.00 1.20 1.32 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 647 G 7.80 3.37 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 0.00 648 I 8.41 3.49 2.15 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.83 0.00 0.00 649 S 7.91 4.17 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 A 8.51 4.43 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 K 8.43 4.56 0.00 1.84 1.76 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 652 G 8.41 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 0.00 0.00 0.00 653 E 8.23 4.83 0.00 2.03 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 2.32 2.35 0.00 654 R 8.35 4.05 0.00 1.88 2.05 0.00 3.12 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 655 L 8.04 4.30 0.00 1.93 1.77 1.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 656 K 8.34 4.01 0.00 2.03 2.13 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.51 7.81 657 H 8.13 4.93 0.00 3.21 3.52 0.00 5.58 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 W 9.30 4.25 0.00 3.39 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 659 Y 7.93 4.05 0.00 3.06 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 0.00 660 E 8.13 3.64 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 661 C 8.52 3.88 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 L 8.15 3.93 0.00 1.67 1.54 0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 663 K 7.81 4.17 0.00 1.90 1.94 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.50 7.81 664 N 8.73 4.75 0.00 2.85 2.80 0.00 0.00 7.03 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 K 7.26 4.13 0.00 1.86 2.11 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.53 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.62 7.81 666 D 8.31 4.45 0.00 2.78 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 0.00 667 K 7.24 4.34 0.00 1.94 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 668 K 8.56 4.39 0.00 1.66 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 669 I 9.21 4.48 1.83 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 1.29 1.21 1.01 0.00 0.00 670 E 8.44 5.62 0.00 1.87 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 2.18 2.03 0.00 671 R 7.77 4.37 0.00 1.80 1.79 0.00 2.89 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.06 0.00 672 W 8.90 4.77 0.00 3.18 3.21 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 0.00 673 H 9.16 5.05 0.00 3.28 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 Q 8.71 4.58 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 675 L 8.69 4.34 0.00 1.56 1.44 0.96 0.79 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 0.00 676 Q 9.31 4.59 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 677 N 8.45 4.06 0.00 2.42 2.54 0.00 0.00 6.85 7.60 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 0.00 678 E 8.57 4.24 0.00 2.16 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 2.17 2.31 0.00 679 N 7.97 4.89 0.00 2.95 2.93 0.00 0.00 6.02 8.08 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 0.00 680 H 8.61 4.63 0.00 3.22 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00