NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 311 S 4.4869 8.1933 115.4159 57.7496 64.2853 174.4786 312 N 4.1233 8.7910 119.0076 55.3425 38.5277 174.1587 313 A 4.2586 7.8449 121.9093 51.0053 20.9008 175.6219 314 G 3.9725 7.6701 110.4930 44.7294 0.0000 173.1926 *316 T 4.1641 8.1815 119.8427 62.6513 70.6365 173.1503 317 G 3.5731 7.2007 113.9253 46.2891 0.0000 172.4622 318 F 5.3138 7.8898 124.2915 55.4905 41.3789 175.5578 319 V 4.2590 8.7861 124.9183 61.3909 32.9011 175.1093 320 I 4.7470 8.4704 124.9209 59.7347 39.0559 175.9456 321 N 4.4860 9.0975 126.8603 52.9348 37.1028 175.3044 322 T 4.4730 8.2000 113.3228 62.8155 69.3125 176.3135 323 R 3.9832 7.9478 121.0065 57.9126 30.4757 176.2168 324 R 4.4267 7.8813 119.0034 53.8295 30.8407 175.1659 325 A 4.5768 8.7976 128.3775 51.5710 19.1429 174.6968 326 P 4.7901 0.0000 0.0000 62.7839 31.5749 177.6135 327 F 4.4778 7.9142 118.4256 59.7517 38.8986 176.1674 328 D 4.5796 8.1147 120.2024 54.8719 40.0048 175.1482 329 D 4.7310 8.1981 121.4808 52.9926 42.0872 176.5651 330 W 4.3196 8.9689 125.5653 59.8106 27.9761 178.4124 331 R 2.9517 7.4677 119.0331 58.4413 29.2907 178.6434 332 L 3.8839 7.6131 119.7961 58.1543 42.1493 179.0712 333 R 4.0003 7.8468 117.7594 59.1521 29.8939 178.5858 334 E 3.8620 8.5968 119.2997 59.1769 29.5472 178.7732 335 A 4.0570 7.9660 120.7544 55.2129 18.2314 179.6358 336 L 4.2001 8.0145 116.6037 57.9111 41.9066 179.4162 337 L 4.2596 8.2958 119.1048 57.9557 41.3891 179.6143 338 L 4.1465 8.2069 117.7968 57.6671 41.6678 178.9757 339 A 4.5435 8.1792 119.0324 52.7685 18.5616 177.6484 340 F 4.2957 7.7440 119.5109 56.7392 41.3501 175.7871 341 N 4.6927 8.0006 126.9632 51.9289 36.4652 174.3102 342 F 4.1181 8.3832 126.7762 60.9664 39.9466 175.8709 343 E 3.9694 8.3564 117.5801 59.3913 29.3233 179.0640 344 F 4.1797 8.2615 120.2918 61.3650 39.4895 177.2032 345 I 3.3886 7.7747 119.5393 64.2447 36.8822 177.9175 346 N 3.9016 8.3377 118.0708 56.6372 38.8121 176.4143 347 D 4.2982 7.9162 120.3282 57.9193 40.6925 179.2195 348 T 3.7686 7.3553 114.8023 66.0552 68.4731 176.5901 349 V 3.8497 7.7671 119.2020 64.2928 31.9860 176.5501 350 T 4.0205 7.4385 112.2402 62.1131 70.1330 175.1857 351 G 3.6856 7.9585 108.6827 45.1506 0.0000 173.8007 352 G 3.7537 7.6111 105.2759 46.9566 0.0000 174.0915 353 V 3.9875 7.4176 116.7652 61.7618 32.1849 173.6552 *355 P 4.3582 0.0000 0.0000 62.0281 32.4806 175.6663 356 R 3.9092 8.2234 119.3097 55.8366 30.5370 176.1918 357 I 3.8531 8.1038 125.8848 61.5192 37.3673 176.2747 358 T 4.2479 7.8310 115.1369 61.9628 69.7499 173.9574 359 S 4.5865 7.2015 114.5804 57.8775 65.4640 174.6034 360 Y 3.8710 8.9870 117.5943 60.2823 37.4752 177.6761 361 F 5.0607 8.0762 118.5362 56.8210 39.9216 175.4527 362 S 4.2343 8.0962 114.5811 59.5483 63.3959 173.9775 363 G 3.9213 8.9154 109.6834 46.2415 0.0000 172.9523 364 T 4.7640 7.3919 107.5151 59.0426 71.9153 174.3484 365 D 4.4110 8.7457 120.9120 56.8584 41.1597 176.9121 366 L 4.2022 7.9197 116.7713 55.1428 42.1104 176.8782 367 A 4.5548 7.7161 123.0331 51.5478 18.9071 177.2118 368 Y 4.3523 8.6853 120.7316 56.9715 38.6346 176.2389 369 R 4.2005 8.5203 121.3903 54.7704 31.0232 175.0685 370 P 4.3796 0.0000 0.0000 63.7994 31.9542 176.1329 371 G 3.8397 8.7240 105.2586 44.1624 0.0000 172.7491 372 T 4.2137 8.2606 114.6445 63.6571 68.8043 174.6060 373 A 4.2787 8.5626 128.6068 52.6334 19.2590 176.6551 374 S 4.4760 8.2975 115.0865 56.4943 67.4356 174.6324 375 G 3.7166 8.8115 107.8124 46.6616 0.0000 176.1924 376 R 3.8779 8.5634 118.6861 59.1959 29.9191 177.8795 377 E 3.8927 8.3187 118.5809 59.5001 29.6462 178.6571 378 A 4.0157 7.9638 120.4697 55.2067 18.2067 179.4212 379 E 3.9468 7.9121 115.9400 59.5768 29.6017 179.2923 380 L 4.1937 8.1000 118.3704 57.6946 41.9727 179.0700 381 L 4.4488 8.0444 117.5671 56.4307 41.8239 178.8816 382 A 4.0113 7.8692 121.1681 54.8070 18.0697 177.7873 383 P 4.0760 0.0000 0.0000 64.6729 31.5125 177.6570 384 F 4.6552 8.1152 115.2027 56.8813 39.2392 176.9730 385 A 3.9916 7.8553 122.8028 55.4113 17.9395 179.9408 386 A 4.0408 8.0128 117.3135 54.1864 18.6683 177.5193 387 D 4.8910 8.1168 113.8679 53.8080 42.3028 176.7067 388 L 4.1936 7.2414 118.8808 53.3527 42.5123 175.1498 389 P 4.0003 0.0000 0.0000 61.9849 31.8048 174.3955 390 P 3.9934 0.0000 0.0000 64.3440 31.6828 177.0234 391 G 4.0199 8.7758 110.7975 45.3146 0.0000 175.3012 392 T 3.7207 7.4037 116.1443 66.8249 68.7523 175.7007 393 L 4.1857 7.7512 120.2722 57.2692 42.4187 179.1890 394 E 3.9225 8.0844 117.8746 57.6347 29.6402 176.1228 395 G 4.4473 7.6848 107.4664 46.4306 0.0000 171.7116 396 Y 4.3569 8.1088 125.4529 56.5260 40.0836 174.6219 397 A 4.5262 7.0562 127.4676 49.7318 22.4836 175.8956 398 L 4.0891 8.0930 119.8628 53.8657 42.3512 175.8697 399 P 4.3452 0.0000 0.0000 62.9362 31.8533 175.8437 400 Q 4.6180 8.4803 121.0065 53.7861 30.7204 176.0792 401 G 3.9390 9.1987 112.9693 45.4391 0.0000 172.6454 402 D 4.5833 8.7919 116.7207 52.9068 39.5354 178.2402 403 G 4.0474 8.3517 107.4676 46.0243 0.0000 173.0904 404 T 4.5849 7.9696 108.7869 58.9237 71.4440 174.2651 405 A 2.5800 8.1890 124.3015 54.6894 18.3764 179.0966 406 R 3.8309 7.7396 114.6699 57.3564 30.9011 175.6463 407 N 4.5071 7.9079 114.5901 52.9396 38.2623 175.8784 408 R 3.9143 8.1163 117.8970 59.6952 30.4499 178.6105 409 T 3.8804 7.8377 114.7720 66.8917 68.5009 176.3771 410 N 4.4125 8.1923 117.7959 56.2635 38.5133 177.3772 411 L 4.0518 8.0434 120.5227 57.8348 41.7191 179.6492 412 R 3.9391 8.1921 118.0556 59.4031 29.9938 179.3215 413 R 3.9525 8.4076 117.8293 59.1829 30.0360 179.0238 414 A 4.1956 8.4556 120.7108 55.1455 18.3971 179.3730 415 A 3.9561 8.2720 119.4772 55.4849 18.3111 179.7049 416 Q 3.8455 8.1127 117.9329 59.2811 29.0471 178.3698 417 F 4.0148 8.1041 118.8681 60.4629 38.9383 177.6177 418 L 4.0568 8.2261 118.6727 57.8714 41.4671 179.1792 419 E 4.3464 8.3223 120.5856 58.7488 29.2960 178.6917 420 Q 3.9702 8.1601 117.3914 59.0040 28.9602 178.4081 421 A 4.2800 7.9006 117.7010 52.5110 18.3406 178.0717 422 G 3.7245 7.7901 106.0495 45.3597 0.0000 173.8827 423 F 4.6048 8.1640 118.7408 56.8602 40.4586 174.6987 424 R 4.6816 9.3962 122.7378 54.4978 33.4190 174.1322 425 I 4.7526 8.4753 127.2117 61.0421 38.1733 175.1578 426 E 4.4562 9.3484 127.8390 55.5891 32.3991 175.2060 427 Q 3.3249 9.7434 126.2233 57.2064 26.3399 174.4832 428 G 3.9254 8.2484 101.4378 46.1444 0.0000 173.2787 429 Q 4.7618 7.6951 118.7861 53.7996 31.6749 174.6573 430 L 4.7538 8.7705 126.0895 54.4712 43.3213 175.1204 431 L 5.1181 9.5924 128.6205 52.9251 44.0920 177.6425 432 G 3.4540 8.7634 113.3533 44.0842 0.0000 172.3214 433 P 4.0573 0.0000 0.0000 65.4723 31.1550 178.0166 434 D 4.3332 7.7229 115.5430 54.5840 39.5648 176.8554 435 G 3.9247 7.9813 108.2491 45.1611 0.0000 173.8171 436 A 4.3365 7.4433 122.9176 50.2649 19.4594 175.1172 437 P 4.7387 0.0000 0.0000 62.9020 31.6354 175.8354 438 L 4.1291 8.3944 123.3148 55.3789 42.4185 175.8928 439 A 4.5464 8.5707 128.7370 50.8138 20.2988 176.0155 440 L 4.7732 8.4043 123.8671 53.5764 44.9889 174.9544 441 R 4.9362 9.0301 125.7750 54.3232 33.4815 175.0896 442 F 5.1206 9.0161 123.3825 56.3101 40.3653 174.8014 443 L 4.7825 8.9265 127.9174 54.6021 42.6067 175.7447 444 L 4.9007 9.0038 128.4634 52.8080 45.6405 175.4084 445 R 4.1879 8.1748 126.5414 56.1760 30.9699 175.7823 446 Q 4.1583 9.1681 126.7434 57.9111 29.2318 177.0593 447 G 4.0196 8.9279 110.1463 45.6905 0.0000 174.2086 448 D 4.6728 7.3559 120.7076 53.2464 39.1626 176.1655 449 S 4.2756 7.9939 117.6975 61.2462 64.0931 177.5841 450 D 4.3072 8.0271 117.6807 55.0411 40.2075 177.6026 *452 Q 4.2092 8.2246 122.1056 56.5877 31.0506 177.2552 453 T 3.8689 7.9671 114.4453 66.6431 68.3916 176.5586 454 V 3.6501 7.7456 119.7494 66.3110 31.6068 178.1704 455 L 3.6975 7.7661 117.9566 57.3129 41.1891 179.0399 456 E 4.0399 8.1581 119.7999 58.8319 29.6105 179.1977 457 I 3.8987 7.5952 119.0846 64.6500 37.2614 177.7071 458 Y 4.3857 8.1316 120.6294 61.1814 38.0874 178.3592 459 T 3.8524 8.4637 110.9375 64.9065 68.5069 176.3698 460 R 4.2753 7.6882 119.3764 58.0860 30.5626 178.4408 461 A 4.1562 7.9584 120.7884 55.1581 18.5479 179.4400 462 L 3.9266 7.9547 117.5153 57.9353 41.5867 179.5306 463 E 4.2580 8.4107 120.1990 58.8987 29.1461 179.5125 464 R 4.0218 7.7180 116.6341 58.2011 30.1908 177.8821 465 L 4.4390 7.7374 117.0948 54.3879 42.2116 177.4096 466 G 3.8807 8.2773 108.5650 45.1680 0.0000 172.9065 467 I 4.2833 7.4251 121.0947 60.0188 37.8947 175.2839 468 A 4.5579 8.2198 130.0869 50.7072 17.3825 175.4123 469 A 4.3959 7.8145 122.3115 51.5151 19.8760 176.9998 470 Q 4.7311 8.8540 119.7685 54.1035 32.6005 174.7133 471 I 4.7215 8.5082 123.7290 60.5724 38.6750 175.0918 472 E 4.5311 9.6354 129.1753 54.4883 30.5671 174.3194 473 K 4.8516 8.5174 126.4336 56.0143 33.1441 176.9243 474 V 4.7686 8.8937 117.4806 59.2873 36.5672 175.0940 475 D 4.8454 8.5828 121.8555 52.6650 40.6177 177.0678 476 N 4.3729 8.8239 116.3534 56.4555 38.3357 177.5131 477 A 4.0161 8.0097 121.5672 55.3734 18.6007 179.5769 478 Q 3.9946 8.9796 117.0634 59.0771 28.7452 178.3537 479 Y 3.9443 8.5020 121.0151 60.9492 38.8766 178.1521 480 T 3.8588 8.3469 116.6519 66.6495 68.6347 176.3204 481 A 3.9860 7.9494 122.3828 55.3743 18.4704 179.9295 482 R 3.8873 8.3313 116.9713 59.3682 30.1363 179.5614 483 V 3.5775 7.6866 117.8546 65.8970 31.4366 177.9860 484 A 4.0596 8.1611 120.5703 54.7803 18.0125 178.4900 485 E 4.3171 8.1367 114.2067 55.5793 29.9499 176.3942 486 L 3.8006 7.7346 117.9305 56.0162 39.8851 175.2909 487 D 4.6269 8.3414 119.6185 51.5276 39.5634 174.7741 488 F 4.7723 6.9408 115.0937 55.7614 40.5536 174.3555 489 D 4.3201 8.4583 120.8728 55.8974 41.4436 176.1146 490 L 5.9653 7.8396 116.2230 52.5739 46.3497 174.9929 491 T 5.1524 8.2780 114.1216 60.2302 70.8853 171.0953 492 P 4.8996 0.0000 0.0000 63.0884 32.5050 175.6557 493 F 4.8852 8.6925 123.6312 57.0533 43.3338 173.0358 494 R 4.4764 7.7222 125.0333 54.4127 32.6470 173.7466 495 R 4.0938 7.9638 125.7672 54.4140 32.8865 173.5486 496 D 4.8631 8.4358 126.4141 53.4379 42.0508 175.9266 497 L 5.1032 8.1597 122.3016 52.9745 45.1324 176.4538 498 S 4.8042 8.7670 116.6075 57.0992 64.9663 174.1305 499 L 4.4108 8.6615 118.7386 56.0830 42.1467 177.5861 500 S 4.8284 7.8963 114.1699 56.3033 62.9924 172.3883 501 P 4.7860 0.0000 0.0000 62.9116 33.1950 177.3388 502 G 4.0403 9.4871 111.0274 43.9997 0.0000 174.0407 503 N 4.3247 8.9082 116.3706 56.1988 38.4292 176.5980 504 E 3.6558 8.0783 118.5708 59.2791 29.4527 178.9433 505 Q 3.7064 7.8225 119.0077 58.9843 28.8296 179.1212 506 R 3.9912 7.8365 118.7701 58.8399 29.7898 178.7914 507 L 4.0622 7.4663 118.2949 57.2634 41.8671 178.4264 508 Y 4.1063 7.0787 116.3944 59.5984 37.6934 176.6402 509 W 5.2360 7.6931 114.5485 55.6855 32.0605 175.7277 510 G 3.9418 7.9178 108.0655 44.7992 0.0000 175.2147 511 S 4.1822 9.1774 117.7798 61.7975 63.5381 176.6507 512 H 4.1200 8.4670 119.3184 59.4055 29.5780 177.2506 513 S 4.1271 7.7950 114.5539 61.3210 62.3953 176.1346 514 A 4.1147 7.6513 124.0728 54.5320 18.0960 178.2332 515 G 3.8649 7.6025 103.1351 45.5068 0.0000 173.2144 516 Q 4.5698 7.7145 119.8945 53.1187 30.4973 173.7379 517 P 4.4270 0.0000 0.0000 63.7396 31.9258 177.1319 518 G 3.9222 8.8318 109.7149 45.5894 0.0000 173.9873 519 T 3.9471 7.3522 113.6177 62.3428 67.6882 174.3741 520 R 4.0949 8.4375 125.2613 58.3605 30.8266 177.1988 521 N 5.1132 7.9874 118.3887 51.6465 37.0934 176.4705 522 L 4.3816 7.6932 121.1931 54.3241 41.3047 178.0668 *524 G 3.7101 8.0130 103.7555 44.9213 0.0000 173.8156 525 A 3.6918 8.1184 123.2356 51.8173 18.6365 178.8742 526 A 4.4364 8.1963 126.1367 50.2599 20.1437 175.3481 527 S 4.6436 8.3910 114.7735 55.8519 66.7054 172.6172 528 P 4.2408 0.0000 0.0000 65.5510 30.9060 178.7360 529 A 2.5800 7.5992 118.3363 54.6193 18.3604 179.2152 530 I 3.6652 7.2334 116.8997 64.7162 37.5326 177.9401 531 D 4.5486 8.0542 119.2883 57.2358 40.6180 179.2069 532 A 4.0209 7.9337 120.6545 52.3601 18.3700 179.5733 *534 I 4.0518 7.7012 122.8204 63.2118 39.4887 177.1407 535 D 4.5420 8.0941 119.8790 57.7250 40.7469 180.3641 536 R 3.9590 8.2932 116.2420 56.6190 29.1958 178.5959 *538 L 4.2000 7.9685 119.7425 54.6137 43.4414 177.9906 539 A 4.1833 7.9671 119.4436 53.0568 19.0143 177.6043 540 A 4.0302 7.4957 119.8547 53.0211 18.6071 177.4874 541 T 4.5280 8.5313 111.4589 61.4358 69.9172 174.5117 542 T 4.7491 7.3305 112.2908 59.3015 73.3035 174.3555 543 E 3.9270 8.6137 121.4216 59.6995 29.5912 179.1534 544 D 4.3719 8.1287 118.4169 57.5554 40.8444 178.6046 545 E 3.9279 8.1213 119.4066 59.0230 29.7009 178.3830 546 L 3.9059 8.0676 120.5311 58.5600 42.0962 179.1358 547 T 3.8102 8.3254 115.7250 66.5445 68.3426 176.5474 548 A 3.9519 8.0982 122.4078 55.1283 18.3480 179.5721 549 A 3.9130 8.1964 119.4563 55.5244 18.3514 180.1006 550 T 3.6577 7.9236 114.2066 66.7647 68.4390 177.1151 551 R 4.0695 8.0941 119.8566 59.2875 30.0696 178.9634 552 A 4.1619 8.1116 121.8153 54.4386 18.3063 179.2914 553 L 3.7589 8.0210 119.0325 58.4214 42.1436 178.5427 554 D 4.4736 8.3845 118.2199 57.5157 41.1353 178.3724 555 R 2.8465 8.1786 119.3136 59.1182 30.0392 178.7317 556 V 3.4135 7.6871 118.0617 65.7694 31.2684 177.9395 557 L 3.8498 7.6994 118.0132 58.0338 41.6253 179.3709 558 T 4.2482 8.0588 115.3861 66.7461 68.2968 176.6520 559 A 3.1841 7.7331 120.8897 54.0173 18.3599 179.4590 560 G 2.7585 7.3953 103.6542 45.1645 0.0000 173.5212 561 R 3.6920 7.1139 118.6597 57.5166 28.1273 176.4521 562 Y 4.6481 7.4553 115.0992 59.4913 39.8473 177.0176 563 V 4.8235 7.6523 117.5570 61.0645 35.1025 175.0588 564 I 4.0979 8.8475 129.0461 59.7304 37.6200 173.6187 565 P 4.7252 0.0000 0.0000 61.9168 32.1849 176.6918 566 I 4.9076 8.0431 116.9497 60.3989 40.9490 174.8846 567 W 5.2582 7.9363 119.1630 54.5328 29.7377 176.7028 568 R 4.0784 8.6275 116.5126 56.6524 29.4807 176.9482 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 311 S 8.19 4.49 0.00 4.07 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 0.00 312 N 8.79 4.12 0.00 2.85 3.20 0.00 0.00 6.93 6.46 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 0.00 313 A 7.84 4.26 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 0.00 314 G 7.67 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 0.00 0.00 0.00 *316 T 8.18 4.16 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 0.94 0.00 0.00 317 G 7.20 3.57 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 0.00 318 F 7.89 5.31 0.00 3.05 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 0.00 319 V 8.79 4.26 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 0.71 0.00 0.00 0.65 0.00 0.00 320 I 8.47 4.75 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.97 0.00 0.00 321 N 9.10 4.49 0.00 1.95 2.43 0.00 0.00 6.60 6.79 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 0.00 322 T 8.20 4.47 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 323 R 7.95 3.98 0.00 1.87 2.00 0.00 3.12 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 324 R 7.88 4.43 0.00 1.81 2.03 0.00 3.11 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 1.69 1.58 0.00 325 A 8.80 4.58 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 0.00 326 P 0.00 4.79 0.00 2.27 2.25 0.00 2.94 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 1.55 1.99 0.00 327 F 7.91 4.48 0.00 3.39 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 0.00 328 D 8.11 4.58 0.00 2.89 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 D 8.20 4.73 0.00 2.75 2.66 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 0.00 330 W 8.97 4.32 0.00 3.56 3.29 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0.00 0.00 0.00 1.72 1.83 0.00 414 A 8.46 4.20 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 415 A 8.27 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 416 Q 8.11 3.85 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 417 F 8.10 4.01 0.00 3.31 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 0.00 418 L 8.23 4.06 0.00 1.88 1.70 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 419 E 8.32 4.35 0.00 2.14 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 0.00 2.30 2.22 0.00 420 Q 8.16 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 421 A 7.90 4.28 1.58 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 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0.73 1.15 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 0.00 498 S 8.77 4.80 0.00 3.94 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 0.00 499 L 8.66 4.41 0.00 1.72 1.82 0.97 0.90 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 0.00 500 S 7.90 4.83 0.00 3.86 3.80 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 0.00 501 P 0.00 4.79 0.00 2.33 2.40 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 502 G 9.49 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 0.00 0.00 0.00 503 N 8.91 4.32 0.00 2.69 2.83 0.00 0.00 6.61 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 0.00 504 E 8.08 3.66 0.00 1.56 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 1.73 2.19 0.00 505 Q 7.82 3.71 0.00 2.17 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.67 2.78 0.00 506 R 7.84 3.99 0.00 1.92 1.94 0.00 3.08 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 507 L 7.47 4.06 0.00 1.40 1.65 0.80 1.05 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 0.00 508 Y 7.08 4.11 0.00 1.43 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 0.00 509 W 7.69 5.24 0.00 3.18 2.94 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 G 7.92 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 0.00 511 S 9.18 4.18 0.00 4.00 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 0.00 512 H 8.47 4.12 0.00 3.24 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 S 7.80 4.13 0.00 4.23 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 0.00 514 A 7.65 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 Q 7.71 4.57 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 517 P 0.00 4.43 0.00 2.04 1.98 0.00 3.73 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 2.02 2.07 0.00 518 G 8.83 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 0.00 0.00 0.00 519 T 7.35 3.95 4.43 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 1.31 0.00 0.00 520 R 8.44 4.09 0.00 2.09 1.87 0.00 3.32 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 521 N 7.99 5.11 0.00 2.67 2.74 0.00 0.00 7.18 7.32 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 0.00 522 L 7.69 4.38 0.00 1.71 1.91 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *524 G 8.01 3.71 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 0.00 0.00 0.00 525 A 8.12 3.69 0.88 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 0.00 0.00 526 A 8.20 4.44 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 0.00 527 S 8.39 4.64 0.00 3.70 3.65 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 0.00 528 P 0.00 4.24 0.00 2.36 2.23 0.00 3.69 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 2.19 2.20 0.00 529 A 7.60 2.58 0.95 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 0.00 530 I 7.23 3.67 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 1.01 0.00 0.00 531 D 8.05 4.55 0.00 2.80 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 0.00 532 A 7.93 4.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *534 I 7.70 4.05 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.93 0.00 0.00 535 D 8.09 4.54 0.00 2.93 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 0.00 536 R 8.29 3.96 0.00 1.81 1.94 0.00 3.35 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 *538 L 7.97 4.20 0.00 1.66 1.77 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 539 A 7.97 4.18 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 0.00 540 A 7.50 4.03 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 0.00 541 T 8.53 4.53 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 1.23 0.00 0.00 542 T 7.33 4.75 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 1.21 0.00 0.00 543 E 8.61 3.93 0.00 2.00 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 2.40 2.35 0.00 544 D 8.13 4.37 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 E 8.12 3.93 0.00 2.11 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 2.30 2.35 0.00 546 L 8.07 3.91 0.00 1.85 1.78 0.90 0.77 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 0.00 547 T 8.33 3.81 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 548 A 8.10 3.95 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 0.00 549 A 8.20 3.91 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 0.00 550 T 7.92 3.66 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 0.59 0.00 0.00 551 R 8.09 4.07 0.00 2.07 2.07 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 552 A 8.11 4.16 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 0.00 553 L 8.02 3.76 0.00 1.71 1.84 0.83 1.54 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 0.00 554 D 8.38 4.47 0.00 3.13 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 R 8.18 2.85 0.00 1.54 1.78 0.00 2.97 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.00 556 V 7.69 3.41 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 0.85 0.00 0.00 0.81 0.00 0.00 557 L 7.70 3.85 0.00 1.24 0.42 -0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 558 T 8.06 4.25 4.45 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 1.57 0.00 0.00 559 A 7.73 3.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 G 7.40 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 0.00 0.00 0.00 561 R 7.11 3.69 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 562 Y 7.46 4.65 0.00 3.02 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 0.00 563 V 7.65 4.82 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 0.82 0.00 0.00 0.85 0.00 0.00 564 I 8.85 4.10 1.76 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.02 0.00 0.00 565 P 0.00 4.73 0.00 1.80 1.73 0.00 3.46 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 566 I 8.04 4.91 0.82 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.11 0.60 0.00 0.00 567 W 7.94 5.26 0.00 3.49 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 0.00 568 R 8.63 4.08 0.00 1.90 1.92 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.