NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 416 I 4.2522 7.8827 121.4493 61.2130 38.6851 173.7680 417 V 4.4072 8.1495 125.5043 60.9824 32.8323 174.4273 418 G 3.7459 9.0578 114.6761 46.3540 0.0000 173.4275 419 G 4.3624 7.7581 108.4290 45.2630 0.0000 172.9408 420 Y 5.1019 7.7842 118.0547 55.4521 42.0435 175.0765 421 T 4.3382 8.6139 117.9474 63.9385 69.0449 175.0911 422 C 4.6394 8.7673 124.5660 56.5077 41.1748 173.7122 423 Q 4.0807 8.8070 123.6005 55.7027 29.3018 175.1422 424 E 3.8009 8.7923 124.9212 58.1282 29.6955 176.0496 425 N 4.2557 8.8376 121.9110 54.4545 36.0947 174.8455 426 S 4.5088 8.0081 111.0404 58.7587 64.1053 174.7062 427 V 3.9994 6.9488 120.3128 60.5155 31.0683 173.7081 428 P 4.9914 0.0000 0.0000 64.5875 32.1335 178.2089 429 Y 4.8084 7.1197 114.5186 57.7177 38.6248 174.8732 430 Q 4.6550 7.2190 123.0473 56.4338 29.5151 175.4843 431 V 4.8995 8.5944 118.6517 59.6428 36.1379 174.6248 432 S 4.8829 8.6089 115.7683 56.6084 65.5015 172.5298 433 L 4.6695 8.5630 127.4538 53.5705 43.2346 175.1588 434 N 5.6608 8.7674 121.9599 49.9946 42.4077 174.5393 *437 S 4.4552 8.3678 119.2167 58.3515 63.3322 174.1719 438 G 4.0989 9.9442 109.5174 45.5024 0.0000 172.5785 439 Y 4.5843 6.8222 115.3172 56.2743 40.1108 172.5947 440 H 4.7109 8.8844 121.2113 56.0393 30.4429 174.6532 441 F 5.0608 7.8002 119.4986 57.1714 39.9328 174.0132 442 C 4.7835 6.8490 114.7492 55.7469 45.0115 173.6112 443 G 4.1082 8.4832 109.2772 45.8252 0.0000 172.2831 444 G 4.4431 7.9124 105.1262 46.4432 0.0000 172.5133 445 S 5.3986 8.7488 115.2320 56.5174 67.2180 173.5118 446 L 4.9800 8.8514 126.8248 54.2704 42.4135 176.9258 447 I 4.2440 8.5647 120.4019 61.4443 38.9748 174.7979 448 N 4.6061 7.7344 117.0945 51.8994 39.3218 174.7051 449 D 4.5563 8.6023 117.8333 55.7517 39.3493 177.0168 450 Q 4.4627 9.0990 119.0403 55.1878 31.6945 173.9065 451 W 5.3802 8.5586 117.6685 55.5542 33.0864 174.4094 452 V 4.9543 9.0297 123.4532 61.1712 34.3430 174.1403 453 V 4.7638 9.0353 127.8514 61.9933 33.1692 174.8112 454 S 5.1426 8.5874 120.3421 57.8450 66.1073 172.1155 455 A 4.4035 8.4695 121.0863 50.7920 20.0846 178.6073 456 A 3.8350 8.0734 124.6065 55.1412 18.5130 179.3963 457 H 4.5004 7.6530 109.6270 57.9176 28.8661 176.6640 458 C 4.7653 7.6834 116.9118 57.2756 40.1763 173.1944 459 Y 4.2619 7.6917 121.8071 58.0394 38.8704 175.5290 460 K 4.3155 6.7727 123.1952 54.9159 36.1695 176.1426 461 S 4.0389 8.5601 117.0332 60.4762 63.1189 174.6677 462 R 4.4953 7.6606 119.6139 53.9670 31.8714 174.8791 463 I 4.6822 8.0405 122.9921 59.3583 41.5362 173.9998 464 Q 4.8018 8.7989 127.4176 54.2337 31.6619 174.1851 465 V 4.4776 8.7008 126.9996 61.7435 33.7686 174.7162 466 R 5.1398 8.4175 126.1341 53.5526 32.5628 174.9021 *468 L 4.2962 8.4399 123.5558 54.7818 43.8253 176.9443 469 G 4.1059 8.6488 106.2385 46.9212 0.0000 173.7914 470 E 4.6691 8.2798 117.4722 55.4228 31.6413 175.1320 471 H 4.8064 9.0227 117.8095 57.5163 32.5297 172.9762 472 N 4.9722 8.3793 123.7206 51.5541 38.2159 174.9080 473 I 3.3888 8.2796 126.8885 62.9009 37.9989 176.2366 474 N 4.8218 7.9687 115.1616 53.1098 39.3177 174.9224 475 V 4.3536 7.5366 117.7312 59.4748 34.1830 175.0121 476 L 4.2046 8.5513 123.8253 55.3684 40.4608 176.6118 477 E 4.1866 9.1750 122.9967 56.5037 29.8656 176.9503 478 G 4.2891 8.4547 109.7876 45.3547 0.0000 174.4792 479 D 4.7712 7.5424 118.2600 53.2449 39.6684 175.3339 480 E 4.9461 7.7209 116.7949 55.6369 33.3606 176.5885 481 Q 4.5260 9.0801 120.2803 54.2825 31.9049 174.6639 482 F 5.3715 8.8444 123.3456 56.0284 40.6110 175.3121 483 V 4.5062 8.5826 124.0530 60.9298 34.6509 174.9377 484 N 5.0583 8.7208 123.9067 52.8842 40.3474 173.6266 485 A 4.5050 8.2758 123.0026 51.7495 19.0276 177.3631 486 A 4.2437 9.0707 125.7475 53.8363 19.8414 177.8942 487 K 4.6292 7.7206 113.6975 54.5960 36.3044 175.4648 488 I 4.9642 8.6292 124.4522 59.8667 39.8480 175.2812 489 I 4.5675 9.2441 129.8922 59.3548 38.9333 175.8155 490 K 4.6094 8.7308 126.5503 55.7121 33.3138 176.9563 491 H 3.6548 8.4728 122.2915 55.5784 30.2814 174.7282 492 P 4.2896 0.0000 0.0000 65.3111 31.2786 176.4896 493 N 4.8483 7.9880 114.4143 53.0560 39.1070 174.0314 494 F 4.4847 8.1445 119.6077 57.5063 39.9760 173.8042 495 D 4.4205 8.2523 127.5997 52.0734 42.8884 176.6012 496 R 3.5582 7.9296 126.2700 59.2309 30.3215 179.4792 497 K 3.6988 7.5102 115.2131 58.8712 31.9057 178.0272 498 T 4.1098 7.3843 105.8584 60.5869 69.6414 175.4042 499 L 3.8608 7.7496 120.8132 55.6593 39.9014 173.8199 500 N 4.6333 7.4726 117.5987 54.2159 39.6059 174.5704 501 N 4.2545 8.6861 119.1407 53.7683 36.0642 175.4490 502 N 4.4793 8.1016 116.8933 52.4677 37.6207 172.8562 503 I 4.6655 7.0950 121.4444 59.2686 42.2202 172.5838 504 M 5.4974 9.2310 127.4272 54.0556 36.6729 173.4365 505 L 5.4932 9.0493 121.2381 53.0743 46.1771 175.6940 506 I 5.0280 9.1281 123.5407 59.4181 40.7956 174.1793 507 K 3.6535 8.7420 128.8056 54.3058 33.2607 175.7343 508 L 4.6105 8.6272 128.4015 54.4233 42.5014 178.2570 509 S 4.0226 8.6453 116.7467 60.7324 63.2788 174.3605 510 S 4.6002 7.3284 114.9237 56.5056 66.9228 172.2193 511 P 4.6963 0.0000 0.0000 62.8713 31.9420 176.1642 512 V 4.3167 8.4293 115.4220 59.7146 33.9629 176.3284 513 K 4.2572 8.0135 124.7153 55.4741 31.9463 176.6363 514 L 4.5204 8.4398 128.4686 54.8187 42.7966 177.0585 515 N 4.6305 8.3746 119.4787 52.5887 39.4407 174.3807 516 A 4.1607 8.7809 119.0525 54.5697 19.0561 178.6236 517 R 4.3906 8.6737 111.8080 56.1981 31.0650 175.6690 518 V 4.5571 7.8424 118.4767 60.4683 31.3868 173.3418 519 A 5.0541 8.3315 127.6842 49.9005 22.7090 174.2871 520 T 5.1003 8.5200 112.1433 60.5239 69.9801 173.7603 521 V 4.4936 8.1584 125.1383 59.6569 34.0424 175.1082 522 A 4.3848 7.8255 123.6451 51.3883 19.8848 177.0951 523 L 4.4478 8.3921 121.2814 53.5167 42.6851 175.5091 524 P 4.6097 0.0000 0.0000 62.5180 31.8120 176.7031 525 S 4.1446 8.8448 115.5591 60.3097 63.7266 173.9599 *527 S 4.3063 7.5413 113.2498 57.9309 63.7775 173.3183 528 C 4.6046 8.4787 117.7219 55.9681 40.5242 174.0456 529 A 4.2113 8.4104 128.1608 51.5213 18.6220 175.5271 530 P 4.3286 0.0000 0.0000 61.9106 32.4586 175.3918 *532 A 4.0016 8.1971 121.7701 53.6072 19.3011 177.2716 533 G 4.0013 8.7666 110.5445 45.1631 0.0000 174.0781 534 T 4.0662 7.5491 118.1374 63.4410 69.3815 174.0318 535 Q 4.4524 8.6696 126.0475 56.1595 29.7422 176.0061 536 C 5.2341 9.2899 120.2157 55.0897 43.5771 172.4443 537 L 5.2199 8.8032 121.7587 53.5984 44.1286 174.9785 538 I 5.1521 8.7929 127.2860 58.9812 39.6851 174.9840 539 S 4.8017 8.9720 119.1708 56.0891 66.5684 173.2050 540 G 4.0056 7.1872 111.3792 45.2753 0.0000 172.4753 541 W 4.8044 8.2269 117.5195 56.4348 29.2243 177.3331 542 G 3.9922 8.3268 109.1127 44.1866 0.0000 173.6186 543 N 4.4756 8.7787 118.6196 54.5083 38.7123 174.6214 544 T 5.0834 8.3749 112.7819 60.9004 69.9001 174.0844 545 L 4.7883 7.7964 121.9100 53.0353 43.9780 176.8264 546 S 4.2729 8.5667 117.8480 60.7911 63.2086 174.7979 547 S 4.3934 7.7268 113.7559 57.5124 64.9104 174.2632 548 G 3.9903 9.1181 112.1251 45.2572 0.0000 172.1204 549 V 4.5085 7.9517 117.9847 60.9524 33.8675 174.4274 550 N 4.8175 9.5621 126.4747 51.9132 41.5419 172.8564 551 E 4.7510 8.7665 126.8835 54.3411 30.0007 175.1501 552 P 4.5263 0.0000 0.0000 62.7663 32.5961 176.2384 553 D 4.6183 8.7736 119.6509 56.9912 41.9992 176.4739 554 L 5.4897 7.7430 116.2823 52.2656 43.5566 176.7075 555 L 3.0685 8.3249 124.3744 55.4199 43.0994 175.9359 556 Q 4.8650 8.0046 124.2215 54.7340 31.8293 173.6981 557 C 5.1703 8.1783 117.7054 55.5034 46.7599 172.7757 558 L 4.5768 7.8770 117.8191 54.5496 45.8032 172.7334 559 D 5.4999 9.0954 125.9566 52.9824 42.3139 175.6578 560 A 4.7556 8.8807 124.6142 49.7903 23.2662 173.5931 561 P 5.3900 0.0000 0.0000 60.9666 34.2339 174.6054 562 L 4.4769 8.0876 120.1813 54.2749 42.7239 176.6358 563 L 4.6107 8.5209 124.3458 53.0571 43.3082 175.3034 564 P 4.3546 0.0000 0.0000 62.3407 32.2225 177.4749 565 Q 4.0029 8.9053 122.3632 59.4202 28.7194 179.0307 566 A 4.0224 7.9388 121.2958 55.3279 18.4007 179.2199 567 D 4.3637 8.0469 116.8967 57.2705 40.7989 179.3984 568 C 4.3469 8.1404 118.9923 59.8471 43.4895 175.5367 569 E 3.9821 8.1927 118.6878 59.3570 29.0920 178.9034 570 A 4.1471 7.8665 120.1051 55.1997 18.4581 179.5608 571 S 4.1733 7.7433 113.0146 60.2972 64.4574 174.4391 572 Y 4.8580 7.6821 118.6806 54.6339 38.1091 171.8175 573 P 4.5062 0.0000 0.0000 64.0773 32.1497 177.4619 574 G 3.9884 8.9731 110.3293 45.8479 0.0000 173.8113 575 K 4.3876 8.0663 117.5242 56.2009 33.2371 176.2648 576 I 4.4019 7.7714 120.3330 60.3594 38.2576 175.3608 577 T 4.6186 8.2511 121.3370 61.6117 70.7466 174.8559 578 D 4.5663 8.5252 120.8270 55.2475 39.9826 176.5856 579 N 4.9255 8.1063 117.3513 53.3562 38.8286 173.6856 580 M 5.6318 7.7063 117.5180 53.8003 36.1303 175.3778 581 V 4.5670 8.8474 119.9464 60.7345 35.4329 172.7599 582 C 5.2288 8.8379 120.9583 56.1657 42.0845 172.6313 583 V 4.5153 9.2416 122.5532 60.5745 33.5084 174.4715 584 G 3.6063 6.9462 115.4089 44.4894 0.0000 172.6196 584A F 4.8658 8.4582 120.7940 55.5179 42.6148 175.9991 585 L 4.2174 8.5852 124.0235 57.2008 41.8153 178.8343 586 E 4.2666 8.2766 117.0462 57.1038 29.9775 177.3347 587 G 3.7597 7.4550 105.6320 44.5809 0.0000 170.9150 588 G 4.2627 9.0351 106.6503 44.6624 0.0000 174.2705 588A K 5.4102 7.1416 116.7642 53.3951 35.3301 175.3741 589 D 4.5856 8.2404 122.4250 53.9063 44.6854 175.1286 590 S 4.8620 8.7784 117.2369 58.3139 65.1609 172.6719 591 C 4.6882 9.3993 118.7860 55.5569 44.7205 172.2135 592 Q 4.2269 8.6103 119.1751 58.0774 28.2975 178.2436 593 G 4.2464 9.1922 110.7649 45.6029 0.0000 173.7430 594 D 4.6647 8.6184 119.1794 55.0622 41.8225 176.8133 595 S 4.5272 8.0576 115.8488 60.5866 63.2430 175.2642 596 G 4.1259 8.8553 113.5865 46.2618 0.0000 173.6723 597 G 4.2165 7.9434 107.2281 45.4132 0.0000 171.3702 598 P 5.1040 0.0000 0.0000 62.3042 33.6428 175.7105 599 V 4.5388 8.3434 119.9380 61.4114 34.1342 173.8015 600 V 4.6485 8.4938 128.8713 61.3803 33.4898 173.7245 601 C 5.0253 8.7657 125.4347 55.2566 43.2860 174.2624 602 N 3.9016 9.5157 122.2927 54.5429 33.9973 175.1846 603 G 3.9298 8.1313 103.3546 45.8158 0.0000 172.7234 604 E 5.1297 7.5888 118.4568 53.1370 32.3198 174.9056 *609 L 4.2069 8.2979 123.7754 55.5604 42.3881 175.7038 610 Q 4.4332 9.1201 126.5263 56.7571 30.6796 175.9066 611 G 4.9043 7.7915 104.4808 45.6866 0.0000 171.5654 612 I 5.2071 8.2459 120.2468 58.8781 40.8563 175.2969 613 V 3.6147 8.7193 127.9619 63.6014 31.8642 174.7600 614 S 4.6753 8.2460 120.6193 58.9918 64.7707 173.7397 615 W 4.8875 6.7532 115.7674 54.6120 31.8583 172.4543 616 G 4.0602 8.4371 107.3601 46.6975 0.0000 171.5989 617 Y 4.8810 8.4490 121.2860 56.3467 39.6125 173.6435 *619 G 3.9888 8.1362 116.9872 45.4714 0.0000 172.1852 620 C 4.7779 8.2042 117.8787 56.7406 42.9067 173.8872 621 A 4.1409 9.2276 125.7735 53.0025 16.4753 177.0357 621A L 4.5804 7.1198 117.4684 54.7095 42.2969 175.5612 622 P 4.4781 0.0000 0.0000 63.8327 31.8858 176.4140 623 D 5.0000 9.0935 119.8026 55.3787 39.4404 174.7723 624 N 4.8757 7.5553 113.1972 51.2519 39.1818 172.0905 625 P 4.5776 0.0000 0.0000 62.1397 33.1230 177.0552 626 G 3.6584 8.4978 106.0079 46.2225 0.0000 172.5043 627 V 4.5974 7.8274 122.8167 60.8601 33.8049 174.1712 628 Y 5.0527 9.0892 124.2205 56.1279 42.5904 174.8797 629 T 4.4452 8.7045 119.5583 63.3414 69.7853 174.2417 630 K 4.1150 9.0097 128.2467 55.9690 31.9381 177.2326 631 V 3.8673 8.5241 127.7646 65.8823 31.3480 174.9326 632 C 4.4027 8.2818 112.3642 57.5640 41.5216 174.3138 633 N 4.5543 7.7407 117.4372 53.4307 38.5329 174.6341 634 Y 4.8189 8.0910 117.5584 57.1543 39.7573 177.3429 635 V 3.6840 8.1807 121.8513 66.3958 31.3949 177.7454 636 D 4.4584 8.0859 117.8643 57.2671 40.8143 178.4120 637 W 4.1144 8.3323 128.3171 60.3156 30.7166 177.9983 638 I 3.0564 8.0879 119.9166 64.3217 36.6365 178.2037 639 Q 3.8067 8.0402 118.9230 59.1724 28.4504 179.0524 640 D 4.2115 8.0405 119.7487 57.6217 40.8686 178.9778 641 T 3.5468 7.1866 116.1820 66.3629 68.0119 176.9247 642 I 2.5595 6.9017 120.7314 63.6519 37.0500 177.9787 643 A 4.0413 7.4286 120.2894 55.2476 18.3926 179.4191 644 A 4.1020 7.9682 117.1935 53.9184 18.5281 177.2912 645 N 4.6463 7.7917 118.9153 53.4613 39.1062 174.3812 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 416 I 7.88 4.25 1.78 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 1.22 0.63 0.90 0.00 0.00 417 V 8.15 4.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.98 0.00 0.00 418 G 9.06 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 0.00 419 G 7.76 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 0.00 0.00 0.00 0.00 420 Y 7.78 5.10 0.00 3.04 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 0.00 421 T 8.61 4.34 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 1.31 0.00 0.00 422 C 8.77 4.64 0.00 2.81 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 0.00 423 Q 8.81 4.08 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 424 E 8.79 3.80 0.00 1.76 1.81 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 2.23 2.16 0.00 425 N 8.84 4.26 0.00 2.90 2.88 0.00 0.00 7.11 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 0.00 426 S 8.01 4.51 0.00 3.99 3.99 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 0.00 427 V 6.95 4.00 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 0.26 0.00 0.00 0.77 0.00 0.00 428 P 0.00 4.99 0.00 2.28 2.08 0.00 3.80 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 2.13 2.20 0.00 429 Y 7.12 4.81 0.00 3.19 3.25 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 0.00 430 Q 7.22 4.66 0.00 1.82 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 1.98 2.50 0.00 431 V 8.59 4.90 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 0.85 0.00 0.00 0.98 0.00 0.00 432 S 8.61 4.88 0.00 3.29 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 0.00 433 L 8.56 4.67 0.00 0.57 0.89 0.77 0.09 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 0.00 434 N 8.77 5.66 0.00 2.42 2.46 0.00 0.00 6.67 7.44 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 *437 S 8.37 4.46 0.00 3.69 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 0.00 438 G 9.94 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 0.00 439 Y 6.82 4.58 0.00 3.11 3.01 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 0.00 0.00 0.00 0.00 440 H 8.88 4.71 0.00 2.91 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 441 F 7.80 5.06 0.00 3.11 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 0.00 442 C 6.85 4.78 0.00 2.15 2.81 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 0.00 443 G 8.48 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 G 7.91 4.44 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 0.00 0.00 0.00 445 S 8.75 5.40 0.00 3.78 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 0.00 446 L 8.85 4.98 0.00 1.89 1.80 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 447 I 8.56 4.24 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.91 0.93 0.00 0.00 448 N 7.73 4.61 0.00 2.99 2.98 0.00 0.00 6.01 8.07 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 0.00 449 D 8.60 4.56 0.00 2.94 3.01 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 0.00 0.00 0.00 0.00 450 Q 9.10 4.46 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 451 W 8.56 5.38 0.00 3.28 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 0.00 452 V 9.03 4.95 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 1.12 0.00 0.00 0.96 0.00 0.00 453 V 9.04 4.76 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 0.99 0.00 0.00 454 S 8.59 5.14 0.00 3.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 A 8.47 4.40 1.17 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 0.00 0.00 456 A 8.07 3.83 0.26 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 0.00 457 H 7.65 4.50 0.00 3.39 3.58 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 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0.00 0.87 0.00 0.00 466 R 8.42 5.14 0.00 1.47 1.57 0.00 2.67 0.00 0.00 2.32 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 *468 L 8.44 4.30 0.00 1.74 1.69 1.00 0.94 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 0.00 469 G 8.65 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 470 E 8.28 4.67 0.00 2.10 1.93 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 2.35 2.03 0.00 471 H 9.02 4.81 0.00 3.21 3.57 0.00 5.56 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 0.00 472 N 8.38 4.97 0.00 2.93 2.76 0.00 0.00 6.95 7.76 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 0.00 473 I 8.28 3.39 0.56 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.29 0.65 0.00 0.00 474 N 7.97 4.82 0.00 2.85 2.82 0.00 0.00 6.69 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 V 7.54 4.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 476 L 8.55 4.20 0.00 1.66 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 477 E 9.17 4.19 0.00 1.98 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 2.38 2.51 0.00 478 G 8.45 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 0.00 479 D 7.54 4.77 0.00 2.78 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 0.00 480 E 7.72 4.95 0.00 1.62 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 2.31 2.51 0.00 481 Q 9.08 4.53 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 482 F 8.84 5.37 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 V 8.58 4.51 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 1.03 0.00 0.00 0.95 0.00 0.00 484 N 8.72 5.06 0.00 2.66 2.67 0.00 0.00 7.00 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 0.00 485 A 8.28 4.51 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 0.00 486 A 9.07 4.24 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 0.00 487 K 7.72 4.63 0.00 1.57 1.72 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.38 7.81 488 I 8.63 4.96 2.09 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 1.06 0.00 0.00 489 I 9.24 4.57 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 1.16 0.00 0.00 490 K 8.73 4.61 0.00 1.67 1.74 0.00 1.71 0.00 0.00 1.32 0.00 0.00 2.27 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.38 7.81 491 H 8.47 3.65 0.00 2.74 2.95 0.00 5.60 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 0.00 492 P 0.00 4.29 0.00 2.05 2.15 0.00 2.91 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 493 N 7.99 4.85 0.00 2.75 2.82 0.00 0.00 6.91 7.02 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 0.00 494 F 8.14 4.48 0.00 2.92 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 0.00 495 D 8.25 4.42 0.00 2.54 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 0.00 496 R 7.93 3.56 0.00 1.70 1.82 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 497 K 7.51 3.70 0.00 1.65 1.77 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 498 T 7.38 4.11 4.16 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 1.13 0.00 0.00 499 L 7.75 3.86 0.00 1.46 1.73 0.16 0.84 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 0.00 500 N 7.47 4.63 0.00 2.90 2.66 0.00 0.00 7.23 6.59 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 0.00 501 N 8.69 4.25 0.00 3.07 2.60 0.00 0.00 7.24 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 502 N 8.10 4.48 0.00 3.06 2.79 0.00 0.00 6.94 7.94 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 0.00 503 I 7.09 4.67 1.36 0.00 0.00 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 1.34 1.07 0.09 0.00 0.00 504 M 9.23 5.50 0.00 2.10 1.85 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 2.64 2.64 0.00 505 L 9.05 5.49 0.00 1.79 1.83 0.23 1.12 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 0.00 506 I 9.13 5.03 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.91 0.00 0.00 507 K 8.74 3.65 0.00 0.79 1.09 0.00 1.34 0.00 0.00 1.36 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.63 0.21 7.81 508 L 8.63 4.61 0.00 1.56 1.47 0.89 0.66 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 0.00 509 S 8.65 4.02 0.00 3.83 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 0.00 510 S 7.33 4.60 0.00 3.63 3.73 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 0.00 511 P 0.00 4.70 0.00 1.93 1.98 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 512 V 8.43 4.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.00 0.00 0.00 513 K 8.01 4.26 0.00 1.60 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 514 L 8.44 4.52 0.00 1.68 1.61 0.99 1.06 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 0.00 515 N 8.37 4.63 0.00 2.79 2.74 0.00 0.00 6.95 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 A 8.78 4.16 1.31 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 2.01 1.94 0.00 525 S 8.84 4.14 0.00 4.02 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 *527 S 7.54 4.31 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 C 8.48 4.60 0.00 2.98 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 0.00 529 A 8.41 4.21 1.27 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 0.00 0.00 0.00 530 P 0.00 4.33 0.00 2.18 1.97 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 *532 A 8.20 4.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 G 8.77 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 0.00 0.00 0.00 534 T 7.55 4.07 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 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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 0.00 621 A 9.23 4.14 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 621A L 7.12 4.58 0.00 1.49 1.59 0.43 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 622 P 0.00 4.48 0.00 2.20 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 623 D 9.09 5.00 0.00 2.75 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 0.00 624 N 7.56 4.88 0.00 2.75 2.92 0.00 0.00 6.88 7.90 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 0.00 625 P 0.00 4.58 0.00 2.23 2.11 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 626 G 8.50 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 0.00 0.00 0.00 627 V 7.83 4.60 0.67 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 0.55 0.00 0.00 -0.68 0.00 0.00 628 Y 9.09 5.05 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 T 8.70 4.45 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 1.14 0.00 0.00 630 K 9.01 4.11 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 631 V 8.52 3.87 2.27 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 1.20 0.00 0.00 1.03 0.00 0.00 632 C 8.28 4.40 0.00 3.17 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 0.00 633 N 7.74 4.55 0.00 2.46 2.42 0.00 0.00 6.74 8.77 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 0.00 634 Y 8.09 4.82 0.00 3.18 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 V 8.18 3.68 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 1.15 0.00 0.00 1.06 0.00 0.00 636 D 8.09 4.46 0.00 2.79 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 0.00 637 W 8.33 4.11 0.00 3.55 3.62 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 0.00 638 I 8.09 3.06 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.15 0.74 0.00 0.00 639 Q 8.04 3.81 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 640 D 8.04 4.21 0.00 2.51 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 0.00 641 T 7.19 3.55 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 0.87 0.00 0.00 642 I 6.90 2.56 1.50 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.45 0.00 0.00 643 A 7.43 4.04 1.29 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 0.00 644 A 7.97 4.10 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 0.00 645 N 7.79 4.65 0.00 3.11 3.03 0.00 0.00 6.82 8.24 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 * Residues marked with a * may have inaccurate shift predictions.