NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4482 8.1627 120.3239 55.1179 34.3095 177.1583 502 N 4.1288 8.2204 117.0023 56.0692 39.0489 173.9692 503 Q 4.0981 8.3264 116.1782 56.9533 30.0726 175.4635 504 A 4.3235 7.4218 120.5022 52.1597 19.0097 178.4867 505 I 3.8506 7.6910 118.9092 64.6253 37.7249 177.0574 506 D 4.7039 7.6780 125.5667 52.8176 41.1977 176.4313 507 F 3.9112 8.8437 126.2999 59.5025 39.0219 177.3071 508 A 3.9743 8.3529 121.1594 55.2572 18.2706 179.3514 509 Q 3.8761 8.2658 117.3148 59.2324 29.2585 178.0785 510 A 3.8738 8.0184 121.7695 55.2189 18.3254 179.8709 511 S 3.7302 7.7387 113.0560 61.5776 62.8521 176.8436 512 I 3.7862 7.6036 122.3633 64.6142 36.8870 178.0175 513 D 4.3652 8.2046 119.7885 57.4983 40.6623 179.0577 514 S 4.1990 7.8100 112.8101 61.7933 62.4121 175.6499 515 Y 4.3651 7.7379 119.4015 61.2177 37.5178 179.0325 516 K 4.0099 8.4502 119.3867 59.4710 32.0858 179.1929 517 K 3.8656 8.0416 118.7935 59.2590 31.9717 177.4237 518 H 5.0268 8.0332 114.1992 54.4799 29.5727 174.5448 519 G 4.3386 8.1526 108.0243 47.3266 0.0000 176.5270 520 I 3.5909 7.9499 123.1247 63.6445 36.9702 177.9996 521 L 3.9650 7.9376 119.6598 56.5109 41.5457 178.2835 522 E 4.2008 7.8448 116.5320 58.2491 30.5927 177.8488 523 D 4.2515 8.0324 118.8609 55.7743 40.9478 176.5728 524 V 4.0292 7.1756 115.0578 64.4748 33.4358 176.8120 525 I 3.6407 7.6569 119.5530 62.5061 37.0330 176.2184 526 H 3.9500 7.9815 114.9952 56.0314 26.1237 174.4762 527 D 4.4364 7.9185 119.9661 53.5013 42.3345 175.3386 528 T 4.3445 8.5784 116.6241 62.4969 69.1917 175.2429 529 S 4.6064 8.6785 116.5773 57.7898 63.9738 174.2178 530 F 4.2205 7.7497 123.8687 59.2191 39.3958 174.2110 531 Q 4.1965 7.9283 125.4946 53.0778 31.1584 173.6517 532 P 4.2837 0.0000 0.0000 62.6521 31.9611 176.6278 533 S 4.6581 8.8981 117.4719 59.7136 63.9150 173.7949 534 G 4.2566 7.6063 104.9084 45.5474 0.0000 172.1576 535 I 4.9289 8.1396 112.5731 59.0168 41.0849 174.4933 536 L 5.0848 8.9024 126.8883 53.8122 43.0835 175.1512 537 A 4.5937 8.9340 129.8376 51.0689 20.3592 176.0396 538 V 4.5648 8.2000 121.6337 61.0626 35.4538 173.7854 539 E 4.7410 8.1309 126.3243 55.4760 32.8345 175.2107 540 Y 4.0220 8.9556 124.3301 59.8312 38.7601 175.9350 541 S 4.5802 7.6512 111.3269 56.9676 65.3051 175.6328 542 S 4.3937 8.9997 115.8641 60.1475 62.3052 175.3590 543 S 4.5738 7.5379 112.0452 58.0476 64.0215 174.0025 544 A 4.8362 8.9571 123.8420 49.7908 17.8765 173.3756 545 P 4.7972 0.0000 0.0000 61.1514 33.9279 177.4983 546 V 4.1762 8.3098 115.6014 59.5889 32.2476 176.8358 547 A 4.6804 9.2121 131.0788 52.0345 18.9298 176.5559 548 M 2.9549 10.0081 122.3472 54.5975 29.9921 178.2801 549 G 3.7109 7.6924 105.5860 44.4064 0.0000 171.5303 550 N 4.7521 7.8924 117.3007 53.1509 39.1255 173.7092 551 T 5.3589 8.4035 115.7149 62.1550 70.4510 174.3783 552 L 4.9691 8.9995 125.4350 51.9389 45.3448 174.8553 553 P 4.3705 0.0000 0.0000 62.9686 32.3307 177.1113 554 T 3.8109 8.8460 120.4410 66.7026 68.4955 175.8471 555 E 4.0238 8.0621 116.9338 58.8086 29.6622 178.1678 556 K 3.9776 8.1067 118.7891 58.3818 32.3026 177.0349 557 A 3.0642 7.2849 121.5670 51.6121 19.2034 179.4896 558 R 3.8807 8.0133 122.0541 60.4668 30.3551 176.5477 559 S 4.8715 7.6726 111.6716 56.1138 65.2362 173.2473 560 K 2.8147 8.1210 122.8567 55.5175 32.2623 174.6211 561 P 4.2369 0.0000 0.0000 62.1960 32.8348 175.0934 562 Q 4.4203 8.2490 119.1783 54.7467 30.7216 175.1375 563 F 5.4210 8.5814 118.9294 56.1244 43.2470 174.1549 564 Q 4.6463 9.1352 120.9474 54.7479 33.0831 172.9162 565 F 5.4255 9.4640 128.2020 56.7477 42.4367 173.7296 566 T 4.4152 8.1132 122.8987 61.6191 70.7266 172.9391 567 F 4.2890 7.6748 129.8232 56.3533 41.6688 174.3280 568 N 4.6286 7.0487 123.1593 51.3658 41.3628 172.9834 569 K 3.9959 8.5617 128.8879 56.1758 30.3143 174.7941 570 Q 4.7784 7.8355 135.0000 56.9443 31.1272 175.2435 571 M 4.2439 7.9977 113.8035 56.4547 31.8477 175.6707 572 Q 4.6799 7.5646 119.0574 54.1561 31.2918 173.5615 *579 N 4.6614 8.0360 113.1988 53.5970 39.5776 173.9871 580 A 4.2376 7.7357 124.1411 51.0791 20.0101 176.1203 581 Y 4.5863 8.6984 122.7685 56.2559 39.6844 174.5231 582 V 3.9674 7.8966 127.3034 59.7362 32.7303 173.0761 583 P 4.5815 0.0000 0.0000 62.8335 29.9483 175.2844 584 Q 4.5795 8.9920 118.1493 54.8792 33.2269 175.4808 585 D 4.6646 8.5451 118.3652 57.3152 41.1693 178.2585 586 D 4.4550 8.2451 117.9707 56.9479 41.1258 176.4398 587 D 4.1628 6.9707 115.6447 53.5401 41.2084 176.2061 588 L 5.0312 8.1130 122.8284 52.9259 45.5089 175.5316 589 F 5.3934 9.7183 121.4335 55.9943 43.2596 174.2540 590 T 5.2092 9.2012 116.8855 61.8248 71.9762 172.7898 591 L 5.0144 9.0041 128.8810 53.3382 44.1362 175.1930 592 V 5.1139 9.0745 126.3687 61.4325 35.2811 173.9445 593 M 5.1943 9.1232 124.7932 54.3078 35.2156 173.8524 594 T 5.4011 9.0650 119.8739 60.5192 72.1584 171.8549 595 D 5.5116 9.1624 124.8987 51.0857 43.2848 174.0428 596 P 4.8441 0.0000 0.0000 62.3900 31.8548 175.8419 597 D 5.2688 9.2087 120.9576 53.2334 40.2977 175.9765 598 A 4.9913 7.6453 121.6502 49.7143 21.6852 175.7445 599 P 4.6773 0.0000 0.0000 64.2676 32.0417 175.6230 600 S 4.5025 7.4578 113.4285 57.1230 65.8508 174.8680 601 K 4.4712 8.4428 120.0106 57.9059 32.1929 176.7532 602 T 4.1624 7.6836 112.6799 65.3552 70.4860 173.8683 603 D 4.3999 8.2728 123.8271 53.9568 41.0469 175.7784 604 H 5.0857 8.2982 124.5091 55.3196 29.3432 176.9142 605 K 3.7326 7.6805 123.6046 58.7775 31.8528 177.3305 606 W 5.3636 7.3289 114.6890 54.9398 29.9756 174.8821 607 S 3.9540 8.0857 113.5333 59.9927 62.0845 171.1592 608 E 4.0156 8.9682 128.4337 56.5255 25.5988 170.6723 609 F 4.8810 9.1715 123.8740 56.4772 41.4551 173.8504 610 C 4.1754 7.9801 127.2622 59.7764 31.1916 172.2902 611 H 4.6686 9.0697 124.4095 57.2723 30.5475 175.0665 612 L 4.7629 7.5890 116.6489 54.5142 45.6925 174.5081 613 V 4.7326 8.3067 125.3497 62.5800 34.0048 171.8397 614 E 5.0974 9.3138 128.4766 54.7148 32.1258 175.3029 615 C 5.3106 8.9186 120.8781 57.4392 32.7698 173.1209 616 D 4.5351 9.1884 116.8390 55.6322 38.4783 173.7271 617 L 4.9191 7.9643 118.4410 53.3311 44.0544 177.2029 618 K 5.3019 8.3198 121.5880 54.9478 36.0941 175.2976 619 L 4.5680 8.7788 121.7664 54.7820 41.8724 177.2794 620 L 4.0396 8.5370 123.7535 56.1085 42.1126 177.0903 621 N 3.5732 8.4930 118.4189 53.4476 39.5643 173.3380 *631 T 4.3685 8.2020 113.3477 61.7078 69.2342 173.8607 632 E 4.6379 7.9569 120.5134 55.9513 31.0935 175.6219 633 F 5.1810 8.3435 123.4697 57.3377 42.5645 172.9249 634 F 4.3912 6.6940 117.0780 56.0014 41.3168 172.3053 635 A 4.9848 8.6038 122.5338 50.2692 21.1411 175.4602 636 S 4.5687 9.2315 116.6150 56.9511 66.8296 173.3352 637 E 4.4146 8.5466 124.4823 55.3633 31.9657 174.6984 638 F 5.0827 8.4646 118.6661 56.4072 40.0217 175.8951 639 N 4.7518 9.4374 121.1590 52.6229 38.9077 175.7563 640 T 4.1242 8.8685 121.9310 64.1503 68.5161 175.3856 641 K 3.4390 8.2090 114.4983 61.1476 31.9171 177.5875 642 G 3.7459 8.6322 108.3221 46.3557 0.0000 173.9488 643 S 4.8289 7.6847 114.2842 56.7180 64.3196 173.0558 644 N 4.9382 9.0424 117.6539 51.8675 41.9612 174.1257 645 T 4.6497 8.6227 121.4939 62.7962 68.4867 174.8610 646 L 4.1791 8.6543 128.2533 56.8967 42.7269 177.3828 647 I 4.4217 7.4659 119.0501 58.7576 40.0902 174.8905 648 E 4.2084 8.8833 125.1488 56.6236 29.7922 176.5011 649 Y 4.5092 8.6948 122.2566 58.2181 40.3746 174.7169 650 M 4.4475 7.5930 124.8744 53.5014 34.7014 175.0009 651 G 3.9605 8.1677 114.5717 43.5519 0.0000 170.6200 652 P 4.0456 0.0000 0.0000 62.8751 31.9001 177.5669 653 A 4.6390 8.0331 124.3737 49.9114 19.1568 175.0746 654 P 4.3897 0.0000 0.0000 62.3372 32.4522 174.8731 655 P 4.3026 0.0000 0.0000 62.0660 31.8149 175.8286 656 K 4.0682 8.6777 123.9673 58.5246 32.0729 176.6418 657 G 4.0534 9.1709 115.0460 45.5214 0.0000 175.0256 658 S 3.8810 8.0670 113.6239 59.4310 63.2719 174.6819 659 G 4.1402 7.4665 107.7686 43.4125 0.0000 170.9793 660 P 4.9197 0.0000 0.0000 63.0780 32.3377 175.4991 661 H 5.0704 9.2179 117.5219 54.0892 33.0590 172.8726 662 R 3.9518 8.4784 120.3539 55.4034 31.8864 175.1757 663 Y 4.2774 8.2427 122.4046 56.2601 39.8194 174.5492 664 V 4.7705 8.5251 125.8197 61.3344 33.6539 174.4833 665 F 5.5352 9.3949 127.3783 56.4035 41.0602 174.9554 666 L 5.1779 9.2206 122.5767 52.8949 45.9686 174.9908 667 L 4.9850 8.7849 125.9924 53.6480 44.0332 174.5982 668 Y 5.1519 9.3621 124.0452 56.0812 41.6793 174.4430 669 K 4.4377 9.0369 124.3565 55.1568 33.8483 175.9018 670 Q 4.6786 8.6573 127.0182 54.4867 30.2244 174.4027 671 P 4.3264 0.0000 0.0000 62.0045 32.1151 176.1497 672 K 3.9765 8.4807 123.1047 58.1166 32.3906 177.3183 673 G 3.9423 8.9065 113.7760 45.2792 0.0000 173.3067 674 V 4.0839 7.2720 119.4024 59.7423 32.3568 175.8477 675 D 4.6692 8.1636 124.8972 51.7787 40.8703 177.2748 676 S 2.9890 8.8418 113.8517 60.2919 62.9326 176.3103 677 S 4.2064 7.7105 114.6683 59.9673 62.6137 174.7992 678 K 4.3769 7.0928 119.1302 56.1411 32.5874 176.3589 679 F 5.0887 7.5833 118.7178 56.3441 39.7689 175.7626 680 S 4.2873 8.7522 118.7848 58.5088 63.1263 174.5567 681 K 4.2345 8.5549 123.3677 56.6126 32.5911 176.7376 682 I 4.1472 7.5513 123.2770 58.8141 37.2112 175.8983 683 K 3.8561 7.5622 124.3532 58.2709 32.3632 176.6050 684 D 4.2940 7.0497 115.0746 52.7795 41.6999 175.6728 685 R 3.1766 7.8431 117.4113 58.3682 30.2939 175.0132 686 P 4.2761 0.0000 0.0000 64.5456 31.6253 176.0347 687 N 4.8901 9.4126 117.5974 52.5084 36.7815 174.5657 688 W 3.2766 8.9625 115.4070 56.8076 27.1069 174.8489 689 G 3.8098 8.1522 103.6710 46.9029 0.0000 174.9923 690 Y 4.2650 8.1746 116.3350 57.2943 38.6329 176.5618 691 G 4.3759 8.5109 113.2190 45.9952 0.0000 174.5660 692 T 4.1158 7.5849 109.2736 60.2875 69.5052 172.3053 693 P 4.4287 0.0000 0.0000 63.1627 32.3424 175.6048 694 A 4.0559 8.8451 120.1163 52.8048 15.7894 177.8208 695 T 4.6496 7.4849 108.6786 60.9651 73.3279 171.5986 696 G 3.1962 7.5219 117.1068 44.0078 0.0000 175.7739 697 V 2.8671 7.5780 119.3560 63.9330 30.9063 177.5821 698 G 3.4493 7.6239 104.4985 47.6033 0.0000 175.2988 699 K 3.6364 7.5357 122.2267 58.7456 31.7656 178.3827 700 W 4.1924 8.0467 128.3045 60.5084 30.6037 177.8037 701 A 3.1437 8.2833 121.1037 54.6019 17.6688 179.9091 702 K 3.7939 7.6340 117.0284 59.3884 32.0705 179.0434 703 E 4.1806 7.7029 114.5841 57.7210 29.4875 176.8543 704 N 4.6485 6.7324 115.6290 52.1115 39.4816 173.8310 705 N 4.0755 7.5953 114.2075 54.1450 36.8125 174.2758 706 L 4.3082 7.4624 116.1431 54.0064 43.5093 177.0396 707 Q 4.5820 8.6555 124.0618 54.0527 30.7271 174.5129 708 L 3.7059 8.7402 129.6399 55.4335 42.2121 176.3597 709 V 4.5116 8.9067 125.3772 64.0194 34.5210 174.6346 710 A 5.1604 7.5774 119.4456 51.6038 22.7752 174.8804 711 S 5.5436 8.5535 111.1275 58.6662 65.2870 173.2087 712 N 5.7332 8.9051 123.5222 52.7134 43.3224 172.1826 713 F 5.7143 8.7598 115.0529 56.5890 41.2370 172.2370 714 F 5.1694 8.6986 113.5849 56.0958 41.9059 172.4586 715 Y 5.5854 9.8347 116.0446 55.6744 41.1104 175.1320 716 A 5.2597 8.7770 122.1230 50.9322 23.3368 174.5864 717 E 4.9445 8.7757 119.3723 55.1440 34.0332 173.9501 718 T 4.7592 8.5443 120.7629 61.8224 71.5042 174.5168 719 K 4.1706 8.6475 125.1105 56.4680 32.3712 176.5952 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 501 M 8.16 4.45 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 502 N 8.22 4.13 0.00 2.73 2.83 0.00 0.00 7.05 6.19 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 0.00 503 Q 8.33 4.10 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 504 A 7.42 4.32 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 0.00 505 I 7.69 3.85 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 1.51 0.86 0.92 0.00 0.00 506 D 7.68 4.70 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 3.91 0.00 3.13 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 0.00 508 A 8.35 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 Q 8.27 3.88 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 510 A 8.02 3.87 1.14 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 0.00 0.00 511 S 7.74 3.73 0.00 4.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 I 7.60 3.79 1.98 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 1.77 0.85 0.98 0.00 0.00 513 D 8.20 4.37 0.00 2.78 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 0.00 514 S 7.81 4.20 0.00 3.95 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 0.00 515 Y 7.74 4.37 0.00 3.28 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 0.00 516 K 8.45 4.01 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.72 7.81 517 K 8.04 3.87 0.00 1.81 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.46 7.81 518 H 8.03 5.03 0.00 3.15 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 G 8.15 4.34 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 0.00 520 I 7.95 3.59 1.83 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.16 0.55 0.00 0.00 521 L 7.94 3.96 0.00 1.70 1.73 1.06 1.04 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 0.00 522 E 7.84 4.20 0.00 2.08 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 0.00 2.40 2.29 0.00 523 D 8.03 4.25 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 V 7.18 4.03 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 0.70 0.00 0.00 0.77 0.00 0.00 525 I 7.66 3.64 1.62 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.41 0.55 0.00 0.00 526 H 7.98 3.95 0.00 3.19 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 D 7.92 4.44 0.00 2.68 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 0.00 528 T 8.58 4.34 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 529 S 8.68 4.61 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 F 7.75 4.22 0.00 2.90 3.17 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 0.00 531 Q 7.93 4.20 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 532 P 0.00 4.28 0.00 2.08 2.17 0.00 3.50 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 533 S 8.90 4.66 0.00 4.32 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.61 4.26 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 0.00 535 I 8.14 4.93 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 1.02 0.61 0.99 0.00 0.00 536 L 8.90 5.08 0.00 1.91 1.88 1.25 1.23 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 0.00 537 A 8.93 4.59 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 0.00 538 V 8.20 4.56 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 -0.30 0.00 0.00 0.90 0.00 0.00 539 E 8.13 4.74 0.00 1.92 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 2.21 2.26 0.00 540 Y 8.96 4.02 0.00 2.99 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 0.00 541 S 7.65 4.58 0.00 3.94 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 0.00 542 S 9.00 4.39 0.00 3.98 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 0.00 543 S 7.54 4.57 0.00 4.10 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 0.00 544 A 8.96 4.84 1.19 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 0.00 0.00 545 P 0.00 4.80 0.00 2.07 2.03 0.00 3.74 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 1.94 1.98 0.00 546 V 8.31 4.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.29 0.00 0.00 547 A 9.21 4.68 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 0.00 548 M 10.01 2.95 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 549 G 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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 0.00 558 R 8.01 3.88 0.00 1.98 1.98 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 559 S 7.67 4.87 0.00 3.93 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 0.00 560 K 8.12 2.81 0.00 1.49 1.57 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.14 7.81 561 P 0.00 4.24 0.00 0.87 0.49 0.00 3.37 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.54 0.00 562 Q 8.25 4.42 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 563 F 8.58 5.42 0.00 3.19 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 0.00 564 Q 9.14 4.65 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 565 F 9.46 5.43 0.00 2.95 2.65 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 0.00 613 V 8.31 4.73 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.43 0.00 0.00 614 E 9.31 5.10 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 615 C 8.92 5.31 0.00 2.93 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 0.00 616 D 9.19 4.54 0.00 2.84 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 0.00 617 L 7.96 4.92 0.00 1.78 1.58 0.57 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 618 K 8.32 5.30 0.00 2.03 1.99 0.00 1.36 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 619 L 8.78 4.57 0.00 1.64 1.60 1.19 0.72 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 0.00 620 L 8.54 4.04 0.00 1.51 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 621 N 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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 0.00 639 N 9.44 4.75 0.00 2.82 2.88 0.00 0.00 7.07 7.13 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 0.00 640 T 8.87 4.12 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 1.26 0.00 0.00 641 K 8.21 3.44 0.00 1.86 1.67 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.46 7.81 642 G 8.63 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 S 7.68 4.83 0.00 4.17 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 0.00 644 N 9.04 4.94 0.00 2.80 2.73 0.00 0.00 7.41 6.84 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 0.00 645 T 8.62 4.65 4.26 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 1.25 0.00 0.00 646 L 8.65 4.18 0.00 1.47 1.66 1.23 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 647 I 7.47 4.42 1.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.17 0.62 0.00 0.00 648 E 8.88 4.21 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 649 Y 8.69 4.51 0.00 3.24 2.99 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 0.00 0.00 0.00 650 M 7.59 4.45 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 651 G 8.17 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 0.00 652 P 0.00 4.05 0.00 1.74 0.79 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.17 0.00 653 A 8.03 4.64 1.15 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 0.00 0.00 654 P 0.00 4.39 0.00 1.99 1.85 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 655 P 0.00 4.30 0.00 2.28 2.11 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 656 K 8.68 4.07 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 657 G 9.17 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 0.00 0.00 0.00 658 S 8.07 3.88 0.00 4.18 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 0.00 659 G 7.47 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 0.00 0.00 0.00 660 P 0.00 4.92 0.00 2.32 2.14 0.00 3.76 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 1.98 0.00 661 H 9.22 5.07 0.00 2.75 2.87 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 R 8.48 3.95 0.00 1.64 1.58 0.00 2.89 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.53 0.00 663 Y 8.24 4.28 0.00 1.54 2.32 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 0.00 664 V 8.53 4.77 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 0.93 0.00 0.00 0.78 0.00 0.00 665 F 9.39 5.54 0.00 3.50 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 0.00 666 L 9.22 5.18 0.00 1.74 1.21 1.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 667 L 8.78 4.98 0.00 1.68 1.40 0.66 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 668 Y 9.36 5.15 0.00 2.91 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 0.00 669 K 9.04 4.44 0.00 1.58 1.61 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.19 0.99 7.81 670 Q 8.66 4.68 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 671 P 0.00 4.33 0.00 2.20 1.97 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 0.00 680 S 8.75 4.29 0.00 4.14 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 0.00 681 K 8.55 4.23 0.00 1.77 1.76 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.46 7.81 682 I 7.55 4.15 1.57 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 0.47 0.00 0.00 683 K 7.56 3.86 0.00 1.58 1.65 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 684 D 7.05 4.29 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 685 R 7.84 3.18 0.00 0.92 0.66 0.00 2.90 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.00 686 P 0.00 4.28 0.00 2.23 2.07 0.00 3.57 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.80 0.00 687 N 9.41 4.89 0.00 3.15 3.24 0.00 0.00 6.88 7.52 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 0.00 688 W 8.96 3.28 0.00 3.61 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 0.00 689 G 8.15 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 0.00 0.00 0.00 690 Y 8.17 4.26 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 691 G 8.51 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 692 T 7.58 4.12 4.26 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 1.25 0.00 0.00 693 P 0.00 4.43 0.00 2.08 2.24 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 694 A 8.85 4.06 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 0.00 695 T 7.48 4.65 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 1.20 0.00 0.00 696 G 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0.00 7.05 7.88 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 0.00 705 N 7.60 4.08 0.00 2.78 2.81 0.00 0.00 6.88 7.81 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 0.00 706 L 7.46 4.31 0.00 1.03 1.37 0.06 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 707 Q 8.66 4.58 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 708 L 8.74 3.71 0.00 1.52 1.35 -0.38 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 709 V 8.91 4.51 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 0.80 0.00 0.00 0.69 0.00 0.00 710 A 7.58 5.16 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 0.00 0.00 711 S 8.55 5.54 0.00 3.71 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 0.00 712 N 8.91 5.73 0.00 3.15 2.93 0.00 0.00 6.70 7.71 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 0.00 713 F 8.76 5.71 0.00 3.33 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 0.00 714 F 8.70 5.17 0.00 3.40 3.23 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 0.00 715 Y 9.83 5.59 0.00 3.03 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 0.00 716 A 8.78 5.26 1.45 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 0.00 717 E 8.78 4.94 0.00 2.10 1.79 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 2.31 2.56 0.00 718 T 8.54 4.76 4.33 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 1.22 0.00 0.00 719 K 8.65 4.17 0.00 1.74 1.71 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.