NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 377 D 4.4067 8.3229 120.1754 54.1716 43.5552 178.2755 378 L 3.8763 7.9137 122.4238 59.2241 40.9286 181.1317 379 R 4.2279 8.2018 122.8670 61.9543 29.6437 181.0899 380 R 4.2909 7.8930 123.1350 61.7887 29.2520 181.6838 381 Q 4.1618 7.8039 120.0231 60.1365 28.0981 181.5027 382 L 4.1009 8.2043 123.0345 57.9753 41.8914 178.9293 383 R 4.1070 8.3590 119.5688 60.2263 30.1689 179.3980 384 K 4.1106 7.6407 121.3945 59.5918 31.7425 180.6543 385 A 4.4600 8.0069 123.5777 55.2360 19.5254 180.4805 386 V 3.9688 8.4372 122.5800 64.0600 27.4940 178.8305 *388 D 4.8394 7.8249 121.2246 53.4286 42.1892 178.7927 *389 H 4.3995 7.9925 118.1197 58.1684 28.7573 181.9922 390 V 3.9740 7.5467 118.4102 61.7738 29.4429 182.1906 391 S 4.1612 7.9023 115.9632 59.2733 60.1761 171.5819 392 D 4.4690 7.7246 121.6714 54.8751 39.9076 181.8016 393 S 4.0267 8.6279 119.1060 61.1906 62.5497 175.9218 394 F 4.0545 7.7793 117.7925 58.4732 38.9693 176.7008 395 L 4.5654 7.0433 119.4119 54.4686 42.4312 176.6410 396 E 4.1746 8.1889 120.8516 56.4791 30.5639 176.3369 397 T 4.6658 8.5874 116.6288 62.3782 70.4608 176.1354 398 N 4.5806 8.3855 119.7175 56.3274 38.7572 177.2319 399 V 3.5890 9.1003 120.3977 65.6151 31.6067 176.3466 400 P 4.2017 0.0000 0.0000 65.3402 31.0707 178.3737 401 L 3.4198 8.0421 119.3209 57.9432 41.9737 178.9791 402 L 3.9104 7.9615 118.9759 57.6953 41.5053 179.7803 403 V 3.3470 7.5572 118.0307 65.6975 31.4150 177.7698 404 L 3.9759 7.9517 120.4445 58.3246 41.9119 178.9884 405 I 3.6116 7.8827 120.0242 64.3756 37.0008 178.0757 406 E 3.9805 8.1953 119.9635 59.0999 29.3608 178.7309 407 A 4.0286 8.1398 120.7845 54.8961 18.4136 179.4216 408 A 3.9016 8.0678 119.3321 55.4275 18.2947 179.9728 409 K 3.9995 8.2936 115.8780 59.4600 32.1080 178.2779 410 N 4.8116 8.0177 114.4042 52.1476 38.6770 175.1104 411 G 4.1297 8.1898 108.3742 46.7454 0.0000 175.0994 412 N 4.7064 8.0555 119.6379 51.2500 38.9940 173.3336 413 E 4.0076 8.6344 129.7693 59.8212 29.8190 179.7677 414 K 3.9688 8.0077 123.0451 59.6723 31.8440 180.5524 415 E 3.8497 8.4413 120.8341 58.8416 29.4773 179.0057 416 V 3.6030 7.8581 118.2321 66.2106 31.4400 178.1708 417 K 3.8255 7.8217 116.5328 59.2495 31.6987 178.8006 418 E 3.9588 7.7892 119.4945 59.5332 29.5662 178.4652 419 Y 4.4120 8.0076 116.5678 60.5786 37.8189 178.0336 420 A 4.0626 8.7735 122.7484 55.2206 18.3671 179.7025 421 Q 3.9910 7.8878 116.2686 58.9141 28.7610 179.0475 422 V 3.6194 7.7908 118.7974 65.9712 31.7017 177.3954 423 F 4.1048 8.5117 120.7766 61.6050 39.1064 177.1329 424 R 3.6222 8.4799 118.4762 59.2250 29.7621 178.1096 425 E 3.9450 8.4559 119.3541 59.5929 29.6618 178.5567 426 H 4.6957 8.8205 117.5064 58.3196 28.7643 177.5393 427 A 4.1056 8.0887 122.7496 55.4089 18.1393 179.4864 428 N 4.3786 8.4084 115.0110 56.2330 38.4925 177.8832 429 K 3.9543 8.2926 120.2042 59.3290 32.2043 178.9373 430 L 3.9489 8.5293 120.8868 58.4724 41.8927 179.1541 431 I 3.7098 8.2258 119.9671 64.2845 37.0028 178.0686 432 E 3.8977 8.3238 120.3109 59.2495 29.4644 179.0346 433 V 3.5746 8.1143 118.3303 65.9053 31.6639 177.8873 434 A 3.9816 8.1505 120.5427 55.2314 18.0023 179.4123 435 N 4.2820 8.1726 114.1769 56.1752 38.8181 177.0676 436 L 4.0544 8.0660 121.5268 58.2832 42.0969 178.7649 437 A 3.9586 8.1207 120.5901 55.6552 17.9724 179.4254 438 C 4.1709 7.7756 114.3075 62.5703 28.2608 175.6975 439 S 4.4679 8.0775 114.3664 59.2646 62.9622 174.2441 440 I 4.6305 7.4784 116.3763 60.7460 37.9010 174.9271 441 S 4.6260 8.1336 114.8460 57.6476 64.5240 172.8304 442 N 4.6874 8.7054 123.5445 52.7749 37.7702 175.3930 443 N 4.6004 7.8085 119.9060 52.3367 37.2041 174.8158 444 E 3.9368 8.4431 123.3743 58.9394 29.3188 178.5943 445 E 4.2312 8.1536 118.6631 58.3037 29.8823 178.9413 446 G 3.6059 8.6402 106.6224 47.6546 0.0000 176.0774 447 V 3.6251 8.0686 120.9688 65.5008 31.2420 178.1262 448 K 3.9269 7.5469 118.3136 59.3312 32.1439 178.3188 449 L 4.0707 7.3851 118.5314 57.8806 42.1861 178.9649 450 V 3.7607 7.7204 118.1747 65.9579 31.4793 179.4728 451 R 4.0657 7.8713 114.9704 56.9728 29.8076 178.4501 *453 S 4.5248 8.3386 115.0172 58.4183 64.3681 175.6987 454 A 4.0656 8.7644 122.5777 55.2253 18.1061 179.8306 455 S 4.0707 8.2693 112.8383 61.6716 62.6180 176.7075 456 Q 4.0707 7.9952 121.2232 58.3629 28.4467 178.0753 457 L 3.8740 7.6646 121.2278 57.9129 41.9056 178.3459 458 E 3.9730 8.2623 118.2622 59.5875 29.6311 178.5556 459 A 4.1990 7.8694 119.2492 54.8483 18.8245 179.0305 460 L 4.2793 8.1594 119.2352 58.1746 42.2085 178.1067 461 C 3.9943 8.8339 119.4412 62.5024 31.4560 174.1297 462 P 4.3373 0.0000 0.0000 65.7967 30.9638 178.1725 463 Q 3.8183 8.0267 117.5090 58.3325 28.6390 178.3508 464 V 3.2470 7.4205 119.2120 65.6451 31.5499 178.1395 465 I 3.5327 7.5830 119.5803 64.4986 36.9654 178.2529 466 N 4.4468 8.2017 116.9701 55.9886 38.2870 177.4029 467 A 3.9223 7.5459 122.0166 54.6586 18.4005 179.6195 468 A 3.8308 7.7834 119.4038 55.4244 18.4108 179.8199 469 L 3.9752 8.2840 117.7062 57.7799 41.7486 179.7409 470 A 3.9423 8.0759 120.7114 55.1584 18.1559 179.4767 471 L 3.9079 7.7758 117.3140 58.1500 42.4746 178.5636 472 A 4.2596 8.5595 121.0119 55.2002 18.0371 179.4372 473 A 4.0942 7.6860 118.1818 53.6833 20.1044 178.0655 474 K 4.6260 7.7484 115.2239 54.0328 32.4283 175.4694 475 P 4.3119 0.0000 0.0000 65.2739 31.7143 178.0682 476 Q 4.2055 7.8444 115.7772 56.3266 29.6256 175.9163 477 S 4.1271 8.1970 114.2672 58.1706 62.9652 174.3111 478 K 4.1491 8.6621 131.1308 59.4066 32.0132 178.3127 479 L 4.0911 7.8961 120.1621 58.1008 41.9031 178.6501 480 A 4.0952 7.7141 119.2446 55.0615 18.2994 179.4603 481 Q 4.0915 7.7208 115.9233 59.1738 29.1639 178.3171 482 E 4.1938 8.4717 119.8968 59.3072 29.4865 180.2534 483 N 4.5124 8.4407 115.5332 53.6936 38.5937 176.8565 *485 D 4.6114 8.1230 122.3480 54.4975 43.2250 178.1548 486 L 4.0292 7.9134 118.9296 57.6323 41.4117 179.5447 487 F 4.1968 8.4365 118.0390 60.0757 38.8019 177.6346 488 K 4.0310 8.1652 118.8916 59.8009 32.1271 178.5562 489 E 4.0341 8.3255 118.7774 59.4822 29.2692 179.2159 490 Q 4.0187 8.2672 119.7127 58.6644 29.0564 178.0614 491 W 4.1496 8.8267 129.9130 60.5569 30.8671 177.6189 492 E 4.0166 8.5754 118.5947 59.6050 28.9741 179.7248 493 K 3.9623 8.0358 118.2249 59.5454 32.1632 179.3224 494 Q 3.8692 8.2286 120.0362 59.0289 28.9100 178.3872 495 V 3.3008 8.0376 119.7483 65.6476 31.4485 178.3298 496 R 3.8586 8.0094 117.9895 59.1194 29.9255 179.0454 497 V 3.5406 7.7484 118.0031 65.8784 31.4127 177.7482 498 L 3.9614 8.0741 121.4793 57.8789 41.8925 179.0970 499 T 3.8488 7.8657 109.7042 64.9727 68.6747 176.2297 500 D 4.3661 8.3626 121.4707 56.8358 40.5631 178.5725 501 A 4.0130 7.6721 120.9685 55.0718 18.1370 179.5553 502 V 3.6822 8.1686 117.1835 65.8457 31.5022 177.7596 503 D 4.3588 8.4976 118.4727 57.5130 40.8519 178.0550 504 D 4.4819 8.1461 118.4861 56.4139 40.8214 177.7021 505 I 4.3337 7.1582 110.4975 60.7288 38.0917 175.9626 506 T 4.4994 7.2162 108.3932 61.2789 69.7428 173.9262 507 S 4.4159 7.6632 113.4587 56.9112 65.2323 175.0978 508 I 4.3471 8.2543 120.9722 61.2412 37.7521 177.0756 509 D 4.3985 7.7574 121.6432 57.8752 40.6268 178.1224 510 D 4.3045 8.1109 117.8406 57.3323 41.3703 177.5219 511 F 4.1703 8.4311 120.6831 61.6887 39.1677 177.0475 512 L 3.7098 8.2617 118.0672 57.5678 41.4081 179.3373 513 A 3.9208 8.1430 120.8865 55.0072 18.2008 179.9470 514 V 3.4459 7.9386 116.9328 66.1368 31.5510 178.3310 515 S 3.9253 8.0899 115.3183 61.5249 62.6069 176.3479 516 E 3.8490 8.1800 121.8916 59.3112 29.4893 178.4738 517 N 4.2924 8.0167 116.4269 56.9075 38.5690 177.1777 518 H 4.2665 8.2908 117.5645 58.7422 28.7396 177.9982 519 I 3.6989 8.1326 122.1337 64.1597 36.8758 178.1249 520 L 3.8727 8.0347 121.1532 58.1047 41.8440 178.6097 521 E 3.8871 7.9751 118.6065 59.5730 29.5900 178.5615 522 D 4.3831 8.4690 119.2747 57.2946 40.8494 179.0191 523 V 3.6091 8.3497 119.3082 65.9083 31.5520 177.6354 524 N 4.3338 8.3976 117.0158 56.7217 38.7370 177.0539 525 K 4.0422 8.4753 120.2539 59.4017 32.0773 178.9766 526 C 4.6342 8.2606 120.6489 62.1422 31.5553 175.8594 527 V 3.7456 8.1178 119.9003 65.9872 31.0305 178.1159 528 I 3.7059 8.0468 119.5814 64.1206 36.8733 178.1272 529 A 3.9531 8.2975 121.9887 54.9359 18.1614 179.3742 530 L 3.6226 7.6309 118.6370 58.5316 41.9377 179.3889 531 Q 4.0202 7.9274 116.3117 58.3411 28.6235 177.6473 532 E 4.3515 8.0210 117.3324 54.6805 30.4064 176.1107 533 K 3.6721 7.5493 117.6222 57.5857 30.3306 177.0153 534 D 4.6998 8.0887 118.8307 52.3074 40.9467 174.9521 535 V 3.5591 7.9928 125.2029 65.6418 31.7129 176.7904 536 D 4.4431 8.1949 118.1549 57.5236 40.7162 178.8146 537 G 3.6861 9.3545 106.8472 47.6438 0.0000 175.2774 538 L 4.1110 8.1363 122.6181 58.2196 42.2127 178.8825 539 D 4.3393 8.2303 118.7852 57.3808 40.8774 178.8658 540 R 3.9457 8.6960 119.8118 59.5785 30.2251 178.6899 541 T 3.9590 8.7731 110.2902 64.8340 68.7409 176.4902 542 A 4.4437 8.6132 124.1504 54.7769 18.3493 179.8752 543 G 3.5558 8.2932 104.3279 47.9233 0.0000 175.9046 544 A 4.0908 8.0257 122.7186 54.7676 18.3739 179.9222 545 I 3.6646 7.9853 118.3911 64.6857 37.1834 178.7995 546 R 4.1205 8.5100 119.3919 59.3759 29.9056 179.4834 547 G 3.6022 8.3093 105.5013 47.6441 0.0000 175.8684 548 R 3.9453 8.2375 120.8593 58.9766 30.1322 178.3006 549 A 3.9305 8.5584 120.8055 55.2483 18.5050 179.3956 550 A 3.9791 8.3165 119.5199 55.4530 18.3602 179.8950 551 R 3.9858 8.1565 117.2210 59.3906 30.1563 178.9145 552 V 3.9350 8.2428 118.5263 66.1750 31.4587 178.0875 553 I 3.7468 7.8995 119.5889 64.5284 36.7879 177.9873 554 H 4.1872 8.2330 118.8655 59.4086 29.8818 177.6429 555 V 3.3611 8.1477 120.3439 65.5025 30.9766 178.0764 556 V 3.7994 7.6672 117.4298 65.7751 31.5683 177.6925 557 T 3.9891 7.9741 115.0937 66.7801 68.4377 176.1435 558 S 4.4339 7.5974 114.5837 61.2316 63.4909 176.4735 559 E 4.0737 7.4681 123.5855 55.4450 29.0391 177.1223 *561 D 4.5999 7.7765 114.5673 53.4896 41.7341 176.1373 562 N 4.7508 7.8821 110.6247 54.0881 43.9072 173.8014 563 Y 4.7635 8.0209 115.1078 56.2360 41.9403 173.7440 564 E 4.8230 8.4596 119.3980 53.5745 32.4526 174.5011 565 P 4.3094 0.0000 0.0000 63.1542 32.1938 176.5424 566 G 3.9931 7.8670 108.4468 44.5800 0.0000 173.6314 567 V 3.8460 7.8516 117.0299 65.5070 31.4225 176.8937 568 Y 4.2146 8.0637 119.7627 60.3682 38.6672 176.8026 569 T 3.6096 8.0710 115.5386 66.8461 68.8925 176.0729 570 E 3.9027 7.6696 118.7582 59.6074 29.6644 179.7407 571 K 4.0169 7.6302 118.2381 59.2694 32.0011 179.7300 572 V 3.3731 7.5368 118.5512 65.9812 31.4516 178.2346 573 L 4.0253 8.1683 119.3285 57.3834 41.3149 179.2776 574 E 3.9636 8.7327 118.1633 59.1900 29.7707 179.0251 575 A 3.9104 7.8576 121.5196 55.2663 18.4214 179.7942 576 T 3.8574 7.8814 114.3516 66.3814 68.5013 177.1148 577 K 3.9314 8.0389 121.7839 59.3329 32.2705 178.5884 578 L 3.9891 8.1005 120.8699 58.1623 41.6741 178.5212 579 L 3.8959 7.5819 119.2400 58.1949 42.1693 178.7608 580 S 4.2514 8.0334 113.6907 61.3802 63.0790 175.5213 581 N 4.6175 8.6142 118.7970 54.3118 38.8623 176.1330 582 T 4.4747 7.5117 114.3901 65.0300 70.4794 177.1285 583 V 3.7843 7.8552 116.9193 63.3795 31.2672 175.6544 *585 P 4.3626 0.0000 0.0000 62.1517 33.2926 178.8273 586 R 4.0136 7.7295 117.7062 58.7896 29.8693 178.3595 587 F 4.1445 8.2936 120.9419 61.4984 39.3644 177.0266 588 T 3.5676 8.0079 114.9332 66.7946 68.1796 175.9491 589 E 3.9004 7.9939 120.4668 59.2133 29.5572 178.8659 590 Q 4.0112 7.9057 118.1841 58.5303 28.5989 178.7826 591 V 3.6777 7.3788 119.3831 65.9461 31.5307 177.2770 592 E 3.8487 8.1474 118.8964 59.6740 29.4331 178.7385 593 A 4.4275 8.6653 121.8363 54.5571 18.3061 179.5020 594 A 3.9474 8.2854 119.4806 55.2053 18.4885 180.0719 595 V 3.4953 8.0626 116.9586 66.1368 31.5471 177.9271 596 E 3.9413 8.5175 118.5117 59.6024 29.3725 179.4143 597 A 3.9959 8.0953 120.5844 55.0202 18.2569 179.3611 598 L 4.2982 8.1042 117.8040 57.3893 42.1470 178.0880 599 S 4.6363 7.6647 113.8339 60.2605 63.3864 174.9449 600 S 4.5730 7.9172 119.7955 59.7266 64.6106 173.7737 601 D 4.4625 7.9672 113.1444 52.8963 39.4612 173.4789 602 P 4.4078 0.0000 0.0000 62.4279 32.3141 176.3928 603 A 4.2027 8.3061 120.1147 52.7369 18.7253 177.1503 604 Q 4.4187 8.9796 121.3879 54.1872 29.9355 174.3530 605 P 4.1096 0.0000 0.0000 63.0820 31.7043 175.3265 *607 D 4.3535 8.5141 117.0882 53.9803 40.9530 175.2779 608 E 4.1157 8.4927 127.0537 59.0794 29.4921 178.7512 609 N 4.4301 8.0456 116.4100 56.4530 38.5208 177.2556 610 E 4.1123 8.3693 119.5186 59.0910 29.6268 179.0679 611 F 3.9795 7.9519 119.8310 61.3240 39.5862 177.2361 612 I 3.9211 8.5974 119.8170 64.4640 36.9485 177.7517 613 D 4.3375 8.6099 118.9612 57.5534 40.8495 178.2990 614 A 4.0393 8.0931 119.9717 55.2644 18.6355 179.5146 615 S 3.9591 8.1972 113.7657 61.6325 62.8969 176.8224 616 R 3.9428 8.1157 121.4583 59.2896 29.7103 178.2905 617 L 4.1333 7.8193 119.5253 57.4631 41.9892 179.2749 618 V 3.3903 7.5094 118.6801 65.9577 31.4741 177.1983 619 Y 3.9000 7.8321 118.7041 60.8153 38.6330 177.3971 620 D 4.3112 8.5798 120.2882 57.4017 40.9826 179.2408 621 G 3.5264 8.1814 106.0997 47.9499 0.0000 175.8296 622 I 3.6204 7.5602 122.6686 63.8715 37.0144 178.5083 623 R 3.6065 7.8973 119.9292 59.4286 29.6627 178.3631 624 D 4.2485 8.0632 118.8701 57.0646 40.6932 178.6786 625 I 3.5729 7.6696 120.3799 64.3322 37.1531 178.2663 626 R 3.8271 8.0599 119.6132 59.4475 29.6609 178.5282 627 K 3.8803 7.9486 116.7052 59.3841 32.1277 178.7549 628 A 4.0475 7.8667 119.8442 55.3257 18.4037 179.5447 629 V 3.5238 7.7465 115.5304 65.8575 31.6009 176.4267 630 L 4.3848 7.8342 122.3633 54.9479 41.7377 176.5090 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 377 D 8.32 4.41 0.00 2.84 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 0.00 378 L 7.91 3.88 0.00 1.77 1.66 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 379 R 8.20 4.23 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 380 R 7.89 4.29 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 381 Q 7.80 4.16 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 382 L 8.20 4.10 0.00 1.79 1.85 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 383 R 8.36 4.11 0.00 1.92 1.98 0.00 3.38 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 384 K 7.64 4.11 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 385 A 8.01 4.46 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 386 V 8.44 3.97 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 *388 D 7.82 4.84 0.00 2.62 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 *389 H 7.99 4.40 0.00 2.95 3.00 0.00 7.17 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 390 V 7.55 3.97 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 391 S 7.90 4.16 0.00 3.82 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 0.00 392 D 7.72 4.47 0.00 2.57 2.62 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 0.00 393 S 8.63 4.03 0.00 3.65 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 0.00 394 F 7.78 4.05 0.00 3.07 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 0.00 395 L 7.04 4.57 0.00 1.54 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 396 E 8.19 4.17 0.00 2.16 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 2.35 2.42 0.00 397 T 8.59 4.67 4.50 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 1.49 0.00 0.00 398 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 2.27 2.35 0.00 407 A 8.14 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 408 A 8.07 3.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 K 8.29 4.00 0.00 1.83 1.89 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 410 N 8.02 4.81 0.00 2.72 2.84 0.00 0.00 7.02 7.73 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 0.00 411 G 8.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 412 N 8.06 4.71 0.00 2.75 2.73 0.00 0.00 7.26 8.16 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 0.00 413 E 8.63 4.01 0.00 2.03 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 2.38 2.37 0.00 414 K 8.01 3.97 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 I 7.48 4.63 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.89 0.00 0.00 441 S 8.13 4.63 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 N 8.71 4.69 0.00 2.86 2.89 0.00 0.00 6.17 8.04 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 0.00 443 N 7.81 4.60 0.00 2.74 2.72 0.00 0.00 6.92 7.20 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 0.00 444 E 8.44 3.94 0.00 2.22 2.19 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 2.36 2.40 0.00 445 E 8.15 4.23 0.00 1.98 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 2.31 0.00 446 G 8.64 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 V 8.07 3.63 2.18 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 2.39 2.51 0.00 491 W 8.83 4.15 0.00 3.72 3.38 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 0.00 492 E 8.58 4.02 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.72 0.00 493 K 8.04 3.96 0.00 1.95 1.84 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 494 Q 8.23 3.87 0.00 2.17 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 495 V 8.04 3.30 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 0.92 0.00 0.00 0.18 0.00 0.00 496 R 8.01 3.86 0.00 2.12 1.93 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 497 V 7.75 3.54 2.16 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 0.96 0.00 0.00 0.92 0.00 0.00 498 L 8.07 3.96 0.00 1.70 1.67 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 499 T 7.87 3.85 4.23 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 1.26 0.00 0.00 500 D 8.36 4.37 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 A 7.67 4.01 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 0.00 502 V 8.17 3.68 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 0.98 0.00 0.00 0.96 0.00 0.00 503 D 8.50 4.36 0.00 2.88 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 0.00 504 D 8.15 4.48 0.00 2.86 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 0.00 505 I 7.16 4.33 1.85 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 1.73 0.58 0.89 0.00 0.00 506 T 7.22 4.50 4.24 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 1.27 0.00 0.00 507 S 7.66 4.42 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 I 8.25 4.35 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 0.91 0.00 0.00 509 D 7.76 4.40 0.00 2.87 2.80 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 0.00 0.00 0.00 510 D 8.11 4.30 0.00 2.83 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 0.00 511 F 8.43 4.17 0.00 3.16 3.33 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 0.00 512 L 8.26 3.71 0.00 1.89 1.64 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 513 A 8.14 3.92 1.35 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 0.00 0.00 514 V 7.94 3.45 2.16 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 1.13 0.00 0.00 0.93 0.00 0.00 515 S 8.09 3.93 0.00 3.58 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.87 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 0.00 0.00 0.00 567 V 7.85 3.85 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 1.03 0.00 0.00 0.95 0.00 0.00 568 Y 8.06 4.21 0.00 3.08 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 0.00 569 T 8.07 3.61 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 1.23 0.00 0.00 570 E 7.67 3.90 0.00 2.04 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 2.44 2.50 0.00 571 K 7.63 4.02 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.51 7.81 572 V 7.54 3.37 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 0.83 0.00 0.00 0.23 0.00 0.00 573 L 8.17 4.03 0.00 1.69 1.65 0.89 0.67 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 0.00 574 E 8.73 3.96 0.00 2.10 2.16 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 2.42 2.27 0.00 575 A 7.86 3.91 1.35 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 0.00 0.00 576 T 7.88 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 577 K 8.04 3.93 0.00 2.00 1.77 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 578 L 8.10 3.99 0.00 1.85 1.75 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 579 L 7.58 3.90 0.00 1.65 1.79 0.85 0.72 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 0.00 580 S 8.03 4.25 0.00 4.08 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 0.00 581 N 8.61 4.62 0.00 2.79 2.90 0.00 0.00 6.90 7.47 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 0.00 582 T 7.51 4.47 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 583 V 7.86 3.78 2.19 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 0.94 0.00 0.00 0.90 0.00 0.00 *585 P 0.00 4.36 0.00 2.25 2.12 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 586 R 7.73 4.01 0.00 1.83 2.11 0.00 3.10 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 587 F 8.29 4.14 0.00 3.00 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 0.00 588 T 8.01 3.57 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 1.16 0.00 0.00 589 E 7.99 3.90 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 590 Q 7.91 4.01 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 591 V 7.38 3.68 1.92 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 1.01 0.00 0.00 -0.07 0.00 0.00 592 E 8.15 3.85 0.00 2.21 2.08 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 2.29 2.54 0.00 593 A 8.67 4.43 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 A 8.29 3.95 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 0.00 0.00 0.00 0.00 0.00 595 V 8.06 3.50 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 1.02 0.00 0.00 1.01 0.00 0.00 596 E 8.52 3.94 0.00 2.16 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 2.33 2.50 0.00 597 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 598 L 8.10 4.30 0.00 1.85 1.68 0.87 1.09 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 0.00 599 S 7.66 4.64 0.00 4.03 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 0.00 600 S 7.92 4.57 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 D 7.97 4.46 0.00 2.69 2.62 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 0.00 602 P 0.00 4.41 0.00 2.19 2.11 0.00 3.77 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 1.98 1.96 0.00 603 A 8.31 4.20 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 0.00 604 Q 8.98 4.42 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 605 P 0.00 4.11 0.00 2.06 2.11 0.00 3.79 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 1.99 1.99 0.00 *607 D 8.51 4.35 0.00 2.75 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 0.00 608 E 8.49 4.12 0.00 2.06 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 2.35 2.38 0.00 609 N 8.05 4.43 0.00 3.01 2.90 0.00 0.00 6.91 7.33 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 0.00 610 E 8.37 4.11 0.00 2.18 2.04 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 2.43 2.34 0.00 611 F 7.95 3.98 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 0.00 612 I 8.60 3.92 2.10 0.00 0.00 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 1.86 1.05 0.98 0.00 0.00 613 D 8.61 4.34 0.00 2.87 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 0.00 614 A 8.09 4.04 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 0.00 615 S 8.20 3.96 0.00 3.94 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 0.00 616 R 8.12 3.94 0.00 2.04 2.07 0.00 3.12 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 617 L 7.82 4.13 0.00 2.05 1.66 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 618 V 7.51 3.39 1.90 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 0.68 0.00 0.00 0.21 0.00 0.00 619 Y 7.83 3.90 0.00 3.08 3.11 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 0.00 620 D 8.58 4.31 0.00 2.78 2.68 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 0.00 621 G 8.18 3.53 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 0.00 0.00 0.00 622 I 7.56 3.62 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.75 0.00 0.00 623 R 7.90 3.61 0.00 1.01 1.66 0.00 3.08 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 624 D 8.06 4.25 0.00 2.78 2.62 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 0.00 625 I 7.67 3.57 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.86 0.00 0.00 626 R 8.06 3.83 0.00 1.77 2.02 0.00 3.04 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 627 K 7.95 3.88 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.59 7.81 628 A 7.87 4.05 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 0.00 629 V 7.75 3.52 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 0.92 0.00 0.00 0.85 0.00 0.00 630 L 7.83 4.38 0.00 1.86 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.