NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 504 D 4.6395 8.3229 119.5550 53.1293 42.9381 177.8079 505 K 3.7218 8.0212 123.4213 58.7881 32.1856 179.3420 506 S 4.5354 8.9605 114.5041 61.8198 62.7308 175.5467 507 N 4.3196 8.3223 120.7928 56.8648 38.3692 177.9443 508 K 3.9696 7.5776 124.5113 59.9461 31.7973 180.8214 509 L 4.3706 7.9718 120.5397 57.6350 41.5165 179.6336 510 Q 3.6581 8.6364 118.3012 58.9558 28.5286 178.6207 511 N 4.2875 7.9879 117.2154 56.5325 38.6636 177.3984 512 L 4.0007 8.4305 120.5075 57.8066 41.6430 179.9132 513 V 3.5698 8.7184 118.3033 65.8422 31.4649 177.6898 514 A 3.5723 8.7956 123.3823 55.8247 18.1198 180.0555 515 E 3.9510 8.3527 116.6029 61.4642 29.3311 180.7693 516 Q 4.1487 8.1041 120.9505 59.1009 28.9291 178.6642 517 L 3.8212 7.9059 120.0147 57.4571 41.5269 179.4826 518 V 4.3413 7.6843 120.1401 65.6057 31.2903 178.3095 519 G 3.9494 8.3130 104.4520 47.4387 0.0000 174.2927 520 C 4.7485 7.5787 115.9425 59.2107 28.3518 174.0765 521 G 3.8862 8.4157 108.7537 45.9714 0.0000 173.9269 522 F 4.7171 8.6627 118.3468 56.7598 40.7836 174.4607 523 N 5.2921 9.5002 119.3916 51.4639 41.4251 173.6762 524 E 3.5197 8.5844 123.9973 55.4423 30.4452 175.5001 525 I 4.4500 7.9987 119.4962 58.9146 40.8370 174.9213 526 L 4.6448 8.1174 121.8788 53.1146 44.4799 175.9313 527 N 5.0105 8.8142 120.8621 50.7030 41.6288 174.1122 528 N 4.4717 8.4823 119.2173 53.8754 39.5746 175.5741 529 S 4.4096 8.6114 120.8867 61.0387 63.4484 174.7744 530 L 4.3679 7.6941 120.2110 55.2975 42.2759 176.5939 531 T 4.5840 8.7849 116.5523 61.5591 71.4683 171.1874 532 R 4.8479 8.2791 118.8468 54.2736 32.2211 177.4380 533 A 4.0544 9.4278 127.6868 55.0601 18.9963 179.2287 534 A 4.3086 8.0529 118.5364 55.6416 18.4992 179.0972 535 Y 4.0954 7.4597 112.3034 61.0446 37.9808 177.0109 536 Y 4.4802 8.6496 115.9147 57.7246 38.5855 174.7262 537 D 4.5049 7.8890 120.8643 55.9548 40.9985 176.8576 538 G 3.9814 9.0297 111.3594 45.9125 0.0000 173.2505 539 L 4.4075 8.2282 119.5151 54.5722 42.3158 176.3782 540 E 4.4959 10.2531 122.9602 57.7092 30.9618 177.6914 541 S 4.1429 8.1639 111.7174 60.7146 63.2253 173.9754 542 Y 4.7846 7.5217 117.6822 54.5422 38.2918 172.3461 543 P 4.7080 0.0000 0.0000 62.2892 32.8013 177.6158 544 S 4.2284 9.2423 118.8966 61.8370 62.8570 176.9677 545 K 4.2221 8.1673 117.0258 58.9702 32.6735 176.9774 546 N 5.2860 8.1948 116.0639 52.2325 39.0438 174.7340 547 L 4.2798 7.6945 119.6094 54.5444 42.2965 177.2130 548 V 3.8676 8.0165 121.8850 62.0044 32.6665 174.7986 *550 L 4.0602 7.9601 122.2301 53.8763 42.5881 176.8771 551 L 3.8771 8.2565 122.8696 56.5720 43.2232 176.6800 552 N 4.1684 8.8183 121.2596 53.7927 35.7064 173.8072 553 P 4.2245 0.0000 0.0000 65.3381 31.7319 178.0901 554 L 4.1772 7.8099 118.4043 56.3720 41.8742 178.4118 555 S 3.9673 8.1003 112.5970 59.8488 63.2810 173.6773 556 A 4.5526 7.1438 121.9974 51.0458 22.2060 175.9087 557 D 4.4216 8.7958 119.9009 57.2312 40.9998 177.7204 558 L 4.4535 7.6702 118.5239 54.0103 42.2188 176.1883 559 N 5.1134 8.6632 118.5319 52.3790 40.1796 173.5783 560 C 4.5658 7.3876 118.6423 58.6290 34.5206 175.7770 *562 R 4.4959 8.5516 114.1379 56.1182 29.7520 175.9771 563 Q 4.5834 8.8492 118.8498 56.7679 29.5413 176.1055 564 T 4.3910 7.4901 110.0348 59.1078 70.2667 174.1548 565 L 4.2562 8.3352 126.2322 56.6015 41.7741 179.0278 566 L 3.6087 7.4043 121.3422 58.4234 41.7119 179.1130 567 F 3.7959 7.2361 116.7989 60.0814 38.8631 177.5376 568 G 3.7953 8.2578 105.1626 48.0340 0.0000 175.7420 569 G 2.0673 7.4089 107.9931 46.6403 0.0000 175.8824 570 L 3.7454 7.2776 121.1803 57.4707 41.5544 179.1194 571 E 4.0292 8.1146 118.9379 59.8483 29.4155 179.8321 572 S 3.9820 7.7223 114.8260 61.3753 62.5475 176.8497 573 I 3.8289 7.7431 121.7426 64.4870 37.0133 178.2430 574 A 4.1378 8.2452 120.3632 55.0258 18.1554 178.9605 575 H 4.1361 8.0265 116.6501 58.6825 30.5341 177.7466 576 N 4.9453 8.4249 115.1976 52.0146 38.9992 177.9691 *583 D 4.2602 8.5256 133.6247 53.7385 39.5902 174.7160 584 L 3.8170 8.4108 125.5693 54.1790 43.1829 176.6281 585 K 4.5323 7.9335 121.4787 54.6268 35.2575 175.0674 586 F 6.3000 9.7619 124.2496 54.8950 42.8479 174.5667 587 F 5.8148 8.5660 114.9233 55.6032 41.9369 173.0284 588 E 4.8053 9.2537 120.4325 55.0355 33.2405 173.6786 589 F 4.7188 8.7982 125.8362 56.4954 40.3389 175.2810 590 G 4.1297 7.9658 108.1423 45.4766 0.0000 172.3122 591 N 5.2687 9.0733 118.6905 53.2309 39.6083 174.4360 592 C 5.1085 9.0039 119.8402 58.1887 32.3468 172.4153 593 Y 5.2816 8.9655 117.4052 56.7829 41.8634 174.5539 594 H 5.2739 9.3525 119.1464 54.2113 33.3869 171.9051 595 F 5.1950 9.5736 125.2272 57.1317 40.6716 174.6766 596 D 4.1837 8.6808 127.6632 55.8773 41.9399 176.3819 *607 A 4.2011 7.3644 124.3108 51.7392 19.2455 174.4568 608 P 4.1800 0.0000 0.0000 63.7652 32.4273 176.3028 609 Y 5.5536 7.7561 117.3856 56.7946 38.9703 175.0888 610 S 5.1881 9.3051 119.3398 56.3366 66.7071 172.7835 611 E 5.1525 8.7455 117.6475 54.8524 32.2933 174.5915 612 D 4.9826 8.8599 120.0305 53.0366 46.0680 173.3490 613 Y 5.2831 8.6613 121.2553 56.4190 41.3817 174.0903 614 H 5.1620 8.9384 122.8670 53.8624 33.5212 171.9602 615 L 4.7144 8.8034 123.1704 53.1907 44.2818 175.3083 616 G 3.9756 8.7285 113.4741 44.1385 0.0000 171.8751 617 L 5.4177 7.7563 122.1595 52.3556 45.6197 175.5996 618 W 5.5014 10.0204 122.7313 54.9932 33.0528 174.4565 619 V 4.8841 9.3158 124.7420 61.2840 33.8655 174.6209 620 T 4.6293 8.8808 119.1862 60.8446 69.8000 175.1215 621 G 4.6028 8.4671 111.9926 44.8806 0.0000 172.2760 622 K 4.6100 8.9034 125.6164 56.5777 34.6839 180.7470 *624 V 4.0383 8.6450 118.5384 62.5259 31.7230 173.6411 625 S 4.7866 8.2965 120.3624 56.8737 66.1286 172.4274 626 N 4.8598 8.5649 115.3012 53.3933 37.6964 175.0981 627 S 4.7913 7.7562 113.5245 57.1570 65.4147 174.0345 628 W 4.0271 8.5924 132.3976 57.5651 30.5545 175.7171 *633 E 4.4183 8.6479 125.9165 56.3272 31.5612 177.7817 634 N 4.3362 8.3054 116.7750 57.2470 39.0215 176.5607 635 T 4.1154 7.8605 113.8828 64.8169 67.4439 176.3376 636 S 3.8917 7.8640 116.0259 60.9970 63.0170 176.3701 637 V 3.4802 7.5696 121.4461 65.9415 31.0188 177.3201 638 Y 4.0362 7.7280 117.1736 60.5348 37.4361 178.4342 639 E 3.8074 7.9950 119.6674 60.8663 29.9864 183.5856 640 L 4.2860 8.0307 122.0197 57.8868 42.1201 179.0282 641 K 3.1648 8.2445 119.6093 59.0022 32.0194 178.7045 642 A 3.8737 7.3506 121.3133 55.1042 18.1909 179.2148 643 Y 4.0889 7.1232 114.7811 61.0677 37.9255 178.9483 644 V 2.9820 7.2038 118.7151 65.6632 31.4505 177.2722 645 E 3.7251 7.9274 119.4654 59.7731 29.3600 178.8479 646 N 4.3423 8.0250 115.9456 56.0939 38.5890 177.5659 647 I 3.6857 7.7481 121.4584 64.4873 37.1480 178.4129 648 F 4.5363 8.3278 118.9510 60.5763 38.6427 177.9977 649 K 3.9935 8.5347 118.5668 59.4990 31.7112 179.4219 650 R 4.1004 7.8983 117.5432 58.7760 29.9854 177.4480 651 L 4.4194 7.6243 116.3894 53.4587 42.0395 176.4281 652 G 3.9398 8.2104 107.3391 46.4075 0.0000 174.2469 653 L 4.0298 7.8603 118.9704 53.7009 42.5832 177.3554 654 D 4.5450 8.3214 122.1102 53.2092 40.5233 176.5773 655 L 4.0117 8.3764 127.9694 57.9521 41.8942 179.6653 656 H 4.3535 8.0112 114.5156 58.0841 28.6889 176.4498 657 S 4.3566 7.8898 112.5689 59.1953 63.3774 174.1417 658 L 4.5538 7.4325 121.3018 54.0450 42.9515 176.3517 659 V 4.2727 8.6392 122.7797 61.2489 33.5185 174.4564 660 V 4.5845 8.4848 128.5386 61.8866 32.6313 175.0862 661 G 4.2931 8.8831 113.9474 44.4288 0.0000 171.4683 662 N 5.2039 8.5284 117.3609 52.5401 40.4596 174.7835 663 L 4.5576 8.2383 121.8628 54.1955 46.1979 174.0345 664 S 5.2137 8.6896 120.5880 56.9728 65.6264 173.0218 665 D 4.6715 9.3574 123.0867 52.4020 41.6882 175.0716 666 D 4.2454 8.8414 117.4293 56.1771 39.8149 177.1314 667 I 4.0324 7.7823 120.5675 62.6249 38.2711 174.9385 668 Y 6.0014 8.6586 118.0767 55.3178 40.1512 177.3413 669 S 4.3776 9.1175 119.0944 61.2618 64.4167 174.9110 670 T 4.7527 7.8846 116.3511 61.6539 72.4943 173.0956 671 A 4.5737 9.0359 126.8250 50.7947 23.4791 174.5346 672 L 4.9670 8.0384 119.3309 52.9278 44.9593 175.9769 673 T 4.8783 8.4231 112.8388 59.8995 71.7771 173.4784 674 V 4.7315 8.8862 124.2205 61.5076 34.0113 174.0329 675 N 5.6848 9.0222 125.4626 51.2546 42.6917 174.6898 676 T 4.3126 8.7276 111.9010 61.0206 69.7355 175.7982 677 K 4.0802 8.4320 120.5765 58.9314 32.1343 179.0153 678 G 3.5817 7.9465 106.7087 46.8623 0.0000 174.5266 679 G 3.9532 7.9366 108.0184 45.0183 0.0000 173.3091 680 K 4.0856 8.3068 122.0127 55.4613 32.7578 176.1381 681 R 5.2542 8.4219 126.1079 55.8842 30.8056 175.4650 682 L 4.7094 9.3061 125.2071 55.8751 44.5024 176.0723 683 A 5.1705 7.7107 117.3954 51.6740 22.8053 175.4449 684 T 5.1384 8.7620 115.7082 62.1669 73.3938 173.2624 685 F 5.1781 7.7250 119.6139 55.2723 41.4419 174.4449 686 G 4.1010 8.3672 108.1222 46.6271 0.0000 171.4417 687 V 4.9662 8.3078 123.0104 61.2673 33.4004 176.5600 688 V 4.4278 8.4322 129.1139 62.6455 32.0176 175.8784 689 T 4.0965 8.4432 118.4600 61.8078 68.7831 174.4040 690 K 4.0166 8.9141 122.9799 60.1008 32.8526 179.0033 691 K 3.7797 8.1548 117.2552 57.4337 32.2924 177.6192 *693 L 4.2839 8.0261 118.4520 54.4282 43.7908 179.0014 694 K 3.8412 8.5394 119.6365 59.3744 32.2564 178.5564 695 A 3.8606 8.1873 120.7964 54.7473 18.2634 178.0349 696 F 4.4012 8.0681 111.5733 56.4795 39.2464 174.9893 697 D 4.3111 7.6718 118.4810 55.2804 39.9039 173.5058 698 V 4.3164 8.0278 116.8293 61.2337 32.9018 174.7382 699 D 4.8037 8.6853 125.4364 54.2395 42.2573 175.7107 700 N 5.1671 7.6997 115.9094 50.9540 41.0331 174.6616 701 E 3.9830 8.7192 121.3466 57.1040 31.0653 176.3046 702 V 4.4893 7.9262 121.3419 61.1679 35.3909 173.5179 703 Y 5.3469 9.1416 125.1466 56.5161 40.6084 173.9104 704 Y 5.2973 9.5489 125.8759 55.6147 42.0349 173.9897 705 A 4.9461 8.1580 127.6800 49.9181 22.6537 174.4386 706 D 4.7334 9.2583 120.8900 52.4106 44.3653 174.2462 707 L 4.9638 9.0978 126.9263 53.1800 43.9033 176.5228 708 N 5.1010 9.0935 122.5297 51.7511 37.3574 175.4397 709 W 4.2049 9.0604 135.0000 60.8036 31.4489 179.2336 710 K 4.1526 8.4567 118.4061 57.6939 31.2581 179.9164 711 E 4.1078 7.7672 117.7558 58.4213 29.6302 177.1585 712 L 4.0401 7.3519 122.8963 54.7090 41.6978 176.3169 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 504 D 8.32 4.64 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 K 8.02 3.72 0.00 1.84 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.12 7.81 506 S 8.96 4.54 0.00 4.02 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 0.00 507 N 8.32 4.32 0.00 2.76 2.83 0.00 0.00 7.14 7.08 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 0.00 508 K 7.58 3.97 0.00 1.69 1.82 0.00 1.82 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 1.38 1.36 7.81 509 L 7.97 4.37 0.00 2.13 1.95 0.88 1.02 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 0.00 510 Q 8.64 3.66 0.00 1.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 1.22 2.49 0.00 511 N 7.99 4.29 0.00 3.07 2.89 0.00 0.00 7.11 6.90 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 0.00 512 L 8.43 4.00 0.00 1.82 1.77 0.95 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 0.00 513 V 8.72 3.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.25 0.00 0.00 514 A 8.80 3.57 1.62 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 0.00 0.00 515 E 8.35 3.95 0.00 1.98 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 2.24 2.19 0.00 516 Q 8.10 4.15 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 517 L 7.91 3.82 0.00 1.08 1.06 -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 518 V 7.68 4.34 2.30 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 1.44 0.00 0.00 1.31 0.00 0.00 519 G 8.31 3.95 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 0.00 0.00 0.00 520 C 7.58 4.75 0.00 3.35 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 0.00 521 G 8.42 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 0.00 0.00 0.00 522 F 8.66 4.72 0.00 3.15 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 N 9.50 5.29 0.00 2.86 2.77 0.00 0.00 6.74 7.70 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 0.00 524 E 8.58 3.52 0.00 1.36 1.60 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 2.03 1.80 0.00 525 I 8.00 4.45 1.42 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.08 0.00 0.00 526 L 8.12 4.64 0.00 1.51 1.53 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 527 N 8.81 5.01 0.00 2.86 2.64 0.00 0.00 7.02 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 0.00 528 N 8.48 4.47 0.00 2.68 2.88 0.00 0.00 7.07 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 0.00 529 S 8.61 4.41 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 L 7.69 4.37 0.00 1.51 1.57 0.88 0.67 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 0.00 531 T 8.78 4.58 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 532 R 8.28 4.85 0.00 0.67 1.33 0.00 2.66 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.00 533 A 9.43 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 A 8.05 4.31 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 0.00 535 Y 7.46 4.10 0.00 2.76 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 Y 8.65 4.48 0.00 3.17 3.31 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 0.00 0.00 0.00 537 D 7.89 4.50 0.00 2.82 2.69 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 0.00 0.00 0.00 538 G 9.03 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 0.00 539 L 8.23 4.41 0.00 2.07 1.89 1.32 0.93 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 0.00 540 E 10.25 4.50 0.00 1.75 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 2.25 2.28 0.00 541 S 8.16 4.14 0.00 3.76 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 0.00 542 Y 7.52 4.78 0.00 3.35 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 0.00 543 P 0.00 4.71 0.00 2.28 2.06 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.24 3.16 0.00 1.96 1.83 0.00 1.47 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.51 7.81 642 A 7.35 3.87 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 0.00 643 Y 7.12 4.09 0.00 3.00 2.74 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 0.00 644 V 7.20 2.98 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 -0.29 0.00 0.00 0.26 0.00 0.00 645 E 7.93 3.73 0.00 1.97 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 2.29 2.40 0.00 646 N 8.02 4.34 0.00 2.88 2.95 0.00 0.00 7.10 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 0.00 647 I 7.75 3.69 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 1.03 0.00 0.00 648 F 8.33 4.54 0.00 3.08 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 0.00 649 K 8.53 3.99 0.00 1.93 1.87 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 650 R 7.90 4.10 0.00 2.05 2.02 0.00 3.45 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 651 L 7.62 4.42 0.00 1.76 1.52 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 652 G 8.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 L 7.86 4.03 0.00 1.78 1.42 0.54 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 654 D 8.32 4.54 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 L 8.38 4.01 0.00 1.62 1.67 0.93 1.27 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 0.00 656 H 8.01 4.35 0.00 3.30 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 S 7.89 4.36 0.00 3.95 4.14 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 0.00 658 L 7.43 4.55 0.00 1.59 1.62 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 659 V 8.64 4.27 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 1.01 0.00 0.00 0.92 0.00 0.00 660 V 8.48 4.58 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 0.77 0.00 0.00 0.98 0.00 0.00 661 G 8.88 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 0.00 0.00 0.00 662 N 8.53 5.20 0.00 2.58 2.71 0.00 0.00 6.67 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 L 8.24 4.56 0.00 1.66 1.43 0.94 0.92 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 0.00 664 S 8.69 5.21 0.00 3.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 D 9.36 4.67 0.00 2.82 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 0.00 666 D 8.84 4.25 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 0.00 667 I 7.78 4.03 1.59 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 1.32 1.23 0.14 0.00 0.00 668 Y 8.66 6.00 0.00 2.85 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 0.00 669 S 9.12 4.38 0.00 3.92 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 0.00 670 T 7.88 4.75 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 1.19 0.00 0.00 671 A 9.04 4.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.97 0.00 0.30 1.03 0.57 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 673 T 8.42 4.88 4.19 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 1.12 0.00 0.00 674 V 8.89 4.73 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 1.08 0.00 0.00 1.27 0.00 0.00 675 N 9.02 5.68 0.00 2.72 2.64 0.00 0.00 6.35 7.84 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 0.00 676 T 8.73 4.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 677 K 8.43 4.08 0.00 1.75 1.90 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.60 7.81 678 G 7.95 3.58 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 0.00 0.00 0.00 679 G 7.94 3.95 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 0.00 0.00 0.00 680 K 8.31 4.09 0.00 1.77 1.66 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.37 7.81 681 R 8.42 5.25 0.00 1.81 1.85 0.00 3.30 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 682 L 9.31 4.71 0.00 1.62 1.58 0.72 -0.09 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 0.00 683 A 7.71 5.17 1.47 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 0.00 0.00 684 T 8.76 5.14 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 1.08 0.00 0.00 685 F 7.73 5.18 0.00 3.07 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 0.00 686 G 8.37 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 0.00 687 V 8.31 4.97 2.25 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 1.08 0.00 0.00 1.19 0.00 0.00 688 V 8.43 4.43 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 0.75 0.00 0.00 0.93 0.00 0.00 689 T 8.44 4.10 4.27 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 1.29 0.00 0.00 690 K 8.91 4.02 0.00 2.01 2.13 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.51 7.81 691 K 8.15 3.78 0.00 1.82 1.85 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.49 7.81 *693 L 8.03 4.28 0.00 1.98 1.94 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 694 K 8.54 3.84 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 695 A 8.19 3.86 1.18 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 0.00 0.00 696 F 8.07 4.40 0.00 2.98 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 0.00 697 D 7.67 4.31 0.00 2.77 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 0.00 698 V 8.03 4.32 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 0.88 0.00 0.00 0.98 0.00 0.00 699 D 8.69 4.80 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 700 N 7.70 5.17 0.00 2.54 2.80 0.00 0.00 6.96 7.66 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 0.00 701 E 8.72 3.98 0.00 1.74 1.63 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 2.31 2.52 0.00 702 V 7.93 4.49 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 1.16 0.00 0.00 0.93 0.00 0.00 703 Y 9.14 5.35 0.00 3.19 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 0.00 704 Y 9.55 5.30 0.00 2.94 2.87 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 0.00 705 A 8.16 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 706 D 9.26 4.73 0.00 2.43 2.50 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 0.00 707 L 9.10 4.96 0.00 1.83 1.74 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 708 N 9.09 5.10 0.00 2.91 2.80 0.00 0.00 6.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 709 W 9.06 4.20 0.00 3.53 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 710 K 8.46 4.15 0.00 1.81 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 711 E 7.77 4.11 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 712 L 7.35 4.04 0.00 1.40 1.24 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.