NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 306 L 4.2305 8.0385 122.4890 54.5211 43.4580 177.3763 307 A 3.8414 8.5425 127.2317 54.9275 18.4788 178.6467 308 L 4.0150 7.7562 114.7760 57.1366 42.7886 176.2868 309 S 4.5750 7.5671 111.2137 57.8623 63.5280 174.4222 310 L 4.2825 7.3617 122.5556 54.8725 41.9845 177.6739 311 T 4.1997 8.9473 113.8519 60.8806 70.9570 175.8097 312 A 3.8947 8.3007 122.7538 55.5227 18.3083 179.5899 313 D 4.2844 7.9105 116.7481 57.6896 40.9372 178.9647 314 Q 3.9857 8.1493 118.5213 58.9631 28.6231 178.4224 315 M 3.9727 8.3097 119.6008 58.5863 32.2131 178.4158 316 V 3.5459 7.9462 118.4394 66.2301 31.7506 178.0959 317 S 4.1049 8.2245 114.6297 61.4426 62.6823 176.6043 318 A 3.9702 8.1170 123.3339 55.2376 17.9724 179.6734 319 L 3.9684 7.8082 116.0793 57.9751 42.0513 179.4959 320 L 4.1550 8.2533 119.2519 57.9226 41.3630 179.1451 321 D 4.4212 8.0876 116.5564 56.8796 41.2486 177.5496 322 A 4.2442 7.7664 119.6926 52.7091 18.8432 177.5871 323 E 4.0417 7.5154 117.3990 55.8172 30.0598 175.5125 324 P 4.5872 0.0000 0.0000 61.4829 32.3152 174.1388 325 P 4.4685 0.0000 0.0000 62.5260 32.0317 175.7051 326 I 4.1394 8.0556 120.1054 60.2341 37.6486 175.9230 327 L 4.6403 8.2301 125.3707 53.7917 43.1837 175.7533 328 Y 4.4448 8.4256 118.3318 56.6797 39.5196 175.8494 329 S 4.6856 9.0183 117.8500 57.8760 64.3850 173.2735 330 E 4.5221 8.5674 117.4900 56.4303 29.4323 176.0784 331 Y 4.2241 7.6127 119.5062 58.5334 39.3004 175.6568 332 D 4.4241 8.1016 126.6384 51.7003 41.1495 174.0112 333 P 3.9523 0.0000 0.0000 63.2043 31.4978 177.6403 334 T 4.0149 7.9444 112.1172 63.8034 69.2656 175.4778 335 R 4.6726 6.9268 118.3172 53.2784 33.1631 178.8343 336 P 4.4761 0.0000 0.0000 62.2157 32.0899 176.7008 337 F 4.5526 8.4497 119.3452 57.7302 39.5392 175.5057 338 S 4.9013 8.8092 118.7714 55.7723 66.9426 174.8827 339 E 3.8649 8.7503 121.5858 59.6138 29.0918 178.6806 340 A 3.9999 7.9826 120.1214 55.2880 18.5653 179.6346 341 S 4.1666 8.4476 113.1436 61.6298 63.1887 176.4150 342 M 3.9530 8.4262 121.9705 58.8040 32.0472 177.9756 343 M 4.1400 8.3038 119.1655 58.4229 32.0135 178.9354 344 G 3.7043 8.5122 106.1241 47.8824 0.0000 175.7040 345 L 4.0676 7.9684 121.4462 57.5778 41.6104 179.7017 346 L 3.9753 7.7818 118.7339 57.8554 41.4634 179.6763 347 T 3.9878 8.1447 109.9440 64.6756 68.8618 176.3531 348 N 4.2812 8.4873 120.2291 56.2359 38.9045 176.5979 349 L 3.9534 8.1575 121.4845 58.1114 42.2507 178.5835 350 A 4.1047 8.2311 120.8294 55.4178 18.1140 178.9876 351 D 4.2453 8.0892 115.1363 57.7509 41.7187 178.5116 352 R 4.1361 8.0679 118.4528 59.2771 30.0638 178.8982 353 E 4.2266 8.6720 118.6772 59.2275 29.4002 179.3606 354 L 4.1390 8.0677 119.4329 57.5889 41.4650 179.6234 355 V 3.5992 7.4576 116.9968 66.4506 31.5171 177.9200 356 H 4.2383 8.1699 115.4518 58.8558 28.5653 177.1910 357 M 4.2149 8.5728 120.6554 58.8379 32.0719 178.2261 358 I 3.7692 7.9536 119.8101 64.6857 37.0836 178.1965 359 N 4.4049 7.7973 116.1109 55.8512 38.5580 177.0495 360 W 4.2570 8.5064 129.6097 60.5014 30.8662 177.8862 361 A 2.5800 8.3739 121.0467 54.6181 17.4450 179.6873 362 K 4.1599 7.8312 115.5934 58.7660 32.1668 178.6198 363 R 4.4641 7.4187 116.4252 54.8429 30.8174 176.4083 364 V 3.4571 6.7984 120.8149 61.4653 31.6008 173.4949 365 P 4.3112 0.0000 0.0000 64.5248 31.7237 175.6214 366 G 4.2087 8.9859 110.2549 46.5861 0.0000 175.3994 367 F 4.0277 8.4181 121.8712 61.2614 39.4122 177.5027 368 V 3.7838 7.7456 111.6803 63.6162 31.2141 176.9921 369 D 4.3849 7.8406 119.9243 56.3333 40.9384 176.6529 370 L 4.2242 7.1691 118.7020 53.8298 42.4476 177.4877 371 T 3.9391 8.0128 111.7460 61.7500 70.5173 175.3584 372 L 3.8774 8.3213 121.8324 58.4662 41.5202 179.6688 373 H 4.3480 7.9000 115.5597 59.0005 28.6896 177.4554 374 D 4.4819 8.0375 120.7146 57.2881 40.5565 178.8249 375 Q 3.7248 8.1391 118.7679 58.8193 28.6614 178.8817 376 V 3.6654 8.2349 119.6279 66.3611 31.3512 177.4033 377 H 4.2217 8.3636 116.5770 59.4203 29.8186 176.8237 378 L 4.1950 8.1453 119.4048 57.9482 41.8880 179.2796 379 L 4.4080 8.2447 118.9430 57.6770 41.2897 179.7435 380 E 4.2828 8.3654 114.2813 57.3052 29.5628 177.8359 *382 A 4.3413 7.9588 122.0361 51.1936 20.8279 179.4070 383 W 4.3324 8.3234 114.2415 59.6458 27.9352 178.2493 384 L 3.3204 6.3564 120.5973 57.1620 41.4248 178.2962 385 E 3.8583 7.8471 118.1552 59.5262 29.5067 179.3120 386 I 3.6252 7.9454 119.7216 64.3938 37.1130 178.3844 387 L 4.0140 8.0278 119.8173 58.2687 41.3738 179.6620 388 M 4.0166 8.3218 118.8333 58.2314 31.8582 178.6487 389 I 3.9401 8.4073 119.4994 63.8516 38.0426 178.2233 390 G 3.7337 8.1431 106.5809 47.6770 0.0000 175.0953 391 L 3.7744 8.0973 123.6315 58.0181 41.8014 179.3536 392 V 3.5103 7.7708 116.6042 65.4977 31.8082 177.4251 393 W 4.2828 8.4553 128.2509 60.7474 30.2755 178.2119 394 R 3.5682 7.9044 116.5776 58.8181 29.7266 178.3573 395 S 4.3737 7.7231 112.8993 59.0445 62.8828 175.8422 396 M 4.0305 7.2033 123.1340 57.1788 31.7017 176.9268 397 E 4.4469 7.5120 115.1633 56.4271 30.4945 176.4221 398 H 4.8395 7.7882 115.8277 52.9940 28.7098 171.4220 399 P 4.4152 0.0000 0.0000 64.0068 32.0667 177.5927 400 G 4.0110 8.9929 109.6789 45.5575 0.0000 172.9832 401 K 5.0077 7.9699 117.4600 54.4727 36.5880 175.5925 402 L 4.2094 8.8952 122.4866 52.9746 43.7793 176.1816 403 L 4.6947 8.4855 128.7719 53.5370 39.6428 176.0059 404 F 4.0492 8.6384 121.3605 59.6731 39.6054 175.4704 405 A 4.5579 7.5572 120.5587 50.0811 21.8943 174.9159 406 P 4.0925 0.0000 0.0000 65.1704 31.3734 177.3836 407 N 4.9984 7.9424 113.3400 52.3620 37.9818 175.7946 408 L 4.4998 8.0181 121.3077 54.4336 43.6514 172.2146 409 L 4.8900 8.0153 121.2852 53.0868 43.7827 174.9297 410 L 5.2495 8.9369 126.9544 53.0500 45.2162 176.1564 411 D 5.4022 9.0326 122.5160 51.7539 42.2243 177.5026 412 R 2.7950 8.3835 114.5923 58.9382 29.0651 178.4384 413 N 4.2954 7.7541 116.1408 55.9402 38.7489 177.0317 414 Q 4.1276 8.0106 119.5239 58.6669 28.9582 178.4009 415 G 3.3074 7.3461 106.5405 47.4170 0.0000 175.3793 416 K 3.8346 7.3675 120.4056 59.3487 32.0648 177.7054 417 C 4.1854 7.6279 118.4325 60.7466 31.7098 173.6007 418 V 4.0677 7.2894 121.1879 60.6051 31.7604 174.4906 419 E 4.0706 8.9154 129.5786 57.9216 29.5946 177.0033 420 G 3.9960 9.0746 114.7436 45.9110 0.0000 173.7081 421 M 4.1021 7.8260 118.8618 57.0899 32.3897 178.1734 422 V 3.6998 7.8596 121.6752 65.3137 31.4720 178.6206 423 E 4.0040 8.1804 118.5064 61.0826 29.5238 182.0823 424 I 3.9226 7.6924 120.4767 64.0036 37.2111 177.9480 425 F 3.8986 8.4493 121.6594 61.6301 39.2395 176.9526 426 D 4.4617 8.6594 118.6669 57.7004 40.5365 178.7133 427 M 4.0666 8.1557 119.1957 58.2887 31.8872 178.8340 428 L 3.8451 8.0618 119.2068 57.6618 41.7112 179.4042 429 L 3.8585 7.9947 118.7779 57.9025 41.5159 179.5861 430 A 3.9480 8.0396 120.4965 55.3718 18.1996 179.8144 431 T 3.5531 8.0146 114.4707 66.5887 68.4524 176.7941 432 S 4.0641 8.0783 115.0819 61.5480 62.3715 176.3389 433 S 4.2052 8.1826 117.9613 61.5131 62.5586 176.6741 434 R 3.8638 8.1662 121.5354 59.5644 29.8659 178.5263 435 F 4.6669 8.2428 117.7191 60.6695 38.9002 177.6077 436 R 3.9075 8.4119 118.5014 59.8591 29.7029 178.4885 437 M 4.1158 8.2062 117.4450 58.6083 32.0745 178.0822 438 M 4.2240 8.1639 116.2143 55.0209 33.2655 175.4286 439 N 4.1089 8.0556 117.2519 53.8521 37.9312 174.2884 440 L 4.1295 7.9987 118.8679 55.8552 43.1912 176.6274 441 Q 4.8045 9.0764 124.8980 54.5009 31.6582 177.1346 442 G 3.3899 8.8850 109.5770 48.2454 0.0000 175.8527 443 E 3.9817 8.1200 120.1687 59.1678 29.4835 179.2127 444 E 3.9131 7.9922 118.2434 59.0752 29.6480 178.7984 445 F 3.8483 8.1004 121.0384 61.3988 39.3086 177.6473 446 V 3.0638 7.4415 111.8030 64.1909 31.1411 178.3252 447 C 4.0170 7.5824 116.2057 62.8859 28.0400 176.1585 448 L 3.9279 7.7865 120.4060 57.6818 41.2152 179.6014 449 K 3.8594 7.7538 119.5185 59.4528 32.0366 179.0913 450 S 4.2494 8.0976 115.5432 61.6147 62.7297 176.5740 451 I 3.7034 8.0266 122.7459 64.4937 36.8903 178.4157 452 I 3.7082 7.8278 120.4053 64.3533 36.7574 178.1027 453 L 4.0651 7.7257 119.5365 58.3579 42.0180 178.6430 454 L 4.3166 7.8503 117.0918 56.7426 42.0307 178.0820 455 N 4.5596 8.6157 117.2994 55.8234 39.0172 177.1874 456 S 4.1569 8.1886 115.8908 61.0860 62.7488 175.2995 457 G 3.8898 7.8719 106.7431 45.0425 0.0000 175.5495 458 V 2.6441 7.3854 120.9210 64.0949 31.6000 177.3064 459 Y 4.1642 7.7803 117.2708 60.2696 38.0959 175.7932 460 T 4.5762 7.2213 108.5353 61.9476 70.2058 175.3094 461 F 4.9518 7.6273 132.3753 58.7579 37.8988 177.0943 *469 L 4.4123 9.0343 133.5071 55.8447 43.0816 179.9926 470 E 4.0501 8.0692 118.0484 61.0090 29.7531 180.9240 471 E 4.0743 8.0355 119.4467 59.1939 29.4561 179.4783 472 K 4.0242 7.9610 117.8882 59.4792 32.1925 178.7095 473 D 4.3151 8.3152 118.3063 57.5327 41.1554 177.4182 474 H 4.0336 8.1545 118.7876 59.6398 29.6960 177.0150 475 I 3.5827 7.7135 121.1856 64.8583 36.9203 178.2564 476 H 4.1916 8.3897 117.1124 58.6952 28.4955 178.0916 477 R 3.9163 8.5404 120.5122 59.1465 29.8767 179.2663 478 V 3.5123 7.8635 118.0508 65.9517 31.5469 177.8969 479 L 3.9826 8.1067 118.9878 58.1111 41.4030 179.2708 480 D 4.3885 8.2901 118.6286 57.3848 40.7600 179.0576 481 K 3.9598 7.9548 118.8768 59.5169 31.9400 179.5090 482 I 3.7375 7.8430 120.1278 64.4531 36.9624 178.4615 483 T 3.8598 8.0315 116.6556 66.9061 68.2601 176.0562 484 D 4.4006 8.2569 120.6847 57.8697 40.7747 179.3031 485 T 3.8497 7.8874 115.8940 66.5384 68.4714 176.6108 486 L 3.9715 8.1895 121.2187 58.0368 41.6330 179.7460 487 I 3.7098 7.9173 119.5641 64.4983 36.9379 177.7682 488 H 4.0661 8.4666 119.2905 59.4709 29.6868 177.1394 489 L 3.9701 8.1612 120.6497 58.1547 41.5555 179.5533 490 M 4.0430 8.2555 118.3457 58.2184 31.8819 178.6454 491 A 3.9661 8.3475 121.3718 55.1003 18.3593 179.4566 492 K 3.7695 8.0662 117.0179 59.5004 32.3011 177.9918 493 A 4.3160 7.6543 118.1513 52.4496 18.6610 178.0134 494 G 3.9150 7.9084 105.9898 44.8542 0.0000 174.1205 495 L 4.2546 7.3960 119.3743 54.3207 42.2329 177.8923 496 T 4.1205 9.1174 113.9434 61.2538 70.6320 175.4338 497 L 3.8949 8.3684 122.7860 58.3951 42.0655 178.8492 498 Q 3.7286 7.9672 118.8764 59.3296 29.0473 178.0411 499 Q 4.0032 8.0077 118.9637 58.8733 28.5910 179.0278 500 Q 3.9711 8.1766 119.5522 59.3077 28.8603 178.5357 501 H 4.2539 7.8682 116.2410 58.7425 28.4708 177.6657 502 Q 4.0215 7.9985 120.8539 58.7528 28.4699 178.6272 503 R 4.0570 8.2219 119.9210 59.1431 30.1165 177.9248 504 L 3.9200 8.1111 120.1809 58.4195 41.9321 178.9874 505 A 4.0059 8.0545 120.2709 55.2274 18.2810 179.5654 506 Q 3.9535 8.2504 116.5732 59.1469 28.5972 179.1400 507 L 4.1191 8.0014 118.8740 57.9847 41.9786 179.4168 508 L 4.1843 8.1847 118.8622 57.6357 41.6117 179.5601 509 L 4.0493 8.3944 119.5507 57.6471 41.4050 179.4305 510 I 3.5786 7.6567 119.5424 64.2016 36.8522 178.3284 511 L 4.0070 7.7422 119.5676 57.6806 41.3580 179.4525 512 S 4.0975 7.8827 112.8986 61.6696 62.2524 175.9568 513 H 4.2719 8.0632 118.5283 58.8057 28.4244 177.6586 514 I 3.6574 8.1073 122.0438 64.2049 36.8362 178.2071 515 R 3.9060 8.2318 119.8545 59.7663 29.8150 177.6863 516 H 4.0369 8.1810 117.7438 59.8049 29.8316 176.9374 517 M 3.9696 8.2019 120.2792 58.3787 31.7954 178.6744 518 S 3.9060 8.2265 113.4318 61.4424 62.5382 175.9945 519 N 4.2764 8.2963 119.3015 56.3181 38.2995 177.6091 520 K 4.0663 8.2140 120.1256 59.2994 32.0935 179.7037 521 G 3.5811 8.6032 106.4608 47.9536 0.0000 175.4711 522 M 4.1496 8.5690 121.2688 58.2568 32.2548 178.1614 523 E 4.0398 8.2787 118.0003 59.6393 29.6615 178.6818 524 H 4.1688 8.4425 119.2429 58.9331 29.9817 176.9666 525 L 3.9602 8.5199 122.6333 58.3106 41.6663 178.3635 526 Y 4.0880 8.0596 118.6649 60.6360 38.8319 177.4668 527 S 4.1762 8.0310 112.9810 61.7937 62.7165 175.6819 528 M 4.1772 8.1801 121.5280 58.1593 31.6773 178.5508 529 K 4.1904 7.8591 116.5477 57.0642 31.8510 177.9277 *531 K 4.0901 7.7777 114.4163 54.5691 33.6783 175.2219 532 N 4.1615 7.7691 114.8267 54.3486 36.7389 176.2275 533 V 3.7890 8.2304 119.1677 65.1688 32.0653 176.3897 534 V 4.5343 7.2769 116.6175 58.8719 34.2261 172.8669 535 P 4.4673 0.0000 0.0000 62.3970 32.1739 175.5400 536 L 4.6145 8.1534 122.0752 52.9654 43.5272 177.1657 537 S 4.3504 8.2689 116.8192 58.3729 65.0425 175.1537 538 D 4.3205 8.5768 122.3360 57.3270 40.4562 178.8133 539 L 3.8432 7.8083 120.2851 58.3465 42.2107 179.0317 540 L 3.7309 7.7853 118.7280 57.4955 41.4020 179.4513 541 L 4.0622 8.0959 119.2409 57.9542 41.4249 179.4422 542 E 4.0679 8.1512 118.3526 59.3959 29.1930 179.2350 543 M 4.0083 8.0470 118.4443 58.2169 32.2255 178.2372 544 L 4.3113 8.5112 120.7828 58.4202 42.4200 178.3660 545 D 4.4678 8.6161 119.0749 57.8566 40.5941 179.1388 546 A 4.1549 7.8627 119.4382 54.6570 18.4559 178.3296 547 H 4.5575 8.3799 115.0941 55.4359 29.4166 175.8299 548 R 3.8394 8.0300 120.4948 57.4084 27.2761 182.1873 549 L 3.9843 7.8359 123.9467 55.1618 40.6525 179.3079 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 306 L 8.04 4.23 0.00 1.73 1.59 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 307 A 8.54 3.84 1.34 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 0.00 308 L 7.76 4.01 0.00 1.65 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 309 S 7.57 4.58 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 L 7.36 4.28 0.00 1.69 1.62 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 311 T 8.95 4.20 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 312 A 8.30 3.89 1.08 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 0.00 0.00 313 D 7.91 4.28 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 0.00 314 Q 8.15 3.99 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 315 M 8.31 3.97 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 316 V 7.95 3.55 2.21 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 1.07 0.00 0.00 0.99 0.00 0.00 317 S 8.22 4.10 0.00 4.04 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 0.00 318 A 8.12 3.97 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 0.00 319 L 7.81 3.97 0.00 1.76 1.75 0.88 0.86 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 0.00 320 L 8.25 4.15 0.00 1.69 1.74 0.94 1.02 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 0.00 321 D 8.09 4.42 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 0.00 322 A 7.77 4.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 323 E 7.52 4.04 0.00 2.15 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 2.63 2.47 0.00 324 P 0.00 4.59 0.00 2.18 2.09 0.00 3.63 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 325 P 0.00 4.47 0.00 2.18 2.11 0.00 3.74 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 1.72 1.93 0.00 326 I 8.06 4.14 1.83 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 1.40 0.58 0.77 0.00 0.00 327 L 8.23 4.64 0.00 1.67 1.67 1.00 0.86 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 0.00 328 Y 8.43 4.44 0.00 2.96 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 0.00 329 S 9.02 4.69 0.00 4.07 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 0.00 330 E 8.57 4.52 0.00 2.05 2.05 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 2.49 2.28 0.00 331 Y 7.61 4.22 0.00 2.99 3.03 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 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0.00 0.00 5.74 7.79 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 0.00 408 L 8.02 4.50 0.00 1.78 1.60 0.83 0.68 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 0.00 409 L 8.02 4.89 0.00 1.58 1.53 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 410 L 8.94 5.25 0.00 2.08 1.70 0.77 0.62 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 0.00 411 D 9.03 5.40 0.00 2.79 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 0.00 412 R 8.38 2.79 0.00 1.78 2.15 0.00 2.96 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 413 N 7.75 4.30 0.00 2.79 2.86 0.00 0.00 7.04 8.38 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 0.00 414 Q 8.01 4.13 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 415 G 7.35 3.31 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 2.32 1.98 0.00 424 I 7.69 3.92 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.38 0.90 0.00 0.00 425 F 8.45 3.90 0.00 3.34 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 0.00 426 D 8.66 4.46 0.00 2.91 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 0.00 427 M 8.16 4.07 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 428 L 8.06 3.85 0.00 1.57 1.46 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 429 L 7.99 3.86 0.00 1.87 1.73 1.21 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 430 A 8.04 3.95 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 0.00 431 T 8.01 3.55 4.18 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 0.75 0.00 0.00 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0.79 -0.36 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 0.00 441 Q 9.08 4.80 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 442 G 8.89 3.39 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 0.00 443 E 8.12 3.98 0.00 2.05 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 2.41 2.46 0.00 444 E 7.99 3.91 0.00 2.08 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 0.00 2.37 2.33 0.00 445 F 8.10 3.85 0.00 2.05 2.21 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 0.00 446 V 7.44 3.06 1.98 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 0.63 0.00 0.00 0.93 0.00 0.00 447 C 7.58 4.02 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 L 7.79 3.93 0.00 1.71 1.70 0.91 0.61 0.00 0.00 0.00 0.00 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505 A 8.05 4.01 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 0.00 506 Q 8.25 3.95 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 507 L 8.00 4.12 0.00 1.78 1.80 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 508 L 8.18 4.18 0.00 1.71 1.74 0.95 0.52 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 0.00 509 L 8.39 4.05 0.00 1.77 1.66 0.92 0.57 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 0.00 510 I 7.66 3.58 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.67 0.00 0.00 511 L 7.74 4.01 0.00 1.84 1.75 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 512 S 7.88 4.10 0.00 3.92 4.02 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 0.00 513 H 8.06 4.27 0.00 3.38 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 8.11 3.66 2.03 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 1.39 0.82 0.90 0.00 0.00 515 R 8.23 3.91 0.00 1.91 2.14 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 516 H 8.18 4.04 0.00 3.38 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 M 8.20 3.97 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 518 S 8.23 3.91 0.00 3.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.28 0.00 2.82 2.79 0.00 0.00 7.08 8.01 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 0.00 520 K 8.21 4.07 0.00 1.81 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 521 G 8.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 M 8.57 4.15 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 523 E 8.28 4.04 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 524 H 8.44 4.17 0.00 3.32 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 L 8.52 3.96 0.00 1.97 1.95 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 8.06 4.09 0.00 3.11 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 0.00 527 S 8.03 4.18 0.00 3.95 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 0.00 528 M 8.18 4.18 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 529 K 7.86 4.19 0.00 1.89 1.69 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.61 7.81 *531 K 7.78 4.09 0.00 1.83 1.84 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.58 7.81 532 N 7.77 4.16 0.00 2.83 2.86 0.00 0.00 6.85 7.50 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 0.00 533 V 8.23 3.79 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 0.77 0.00 0.00 0.91 0.00 0.00 534 V 7.28 4.53 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 0.85 0.00 0.00 0.95 0.00 0.00 535 P 0.00 4.47 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 536 L 8.15 4.61 0.00 1.63 1.62 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 537 S 8.27 4.35 0.00 4.02 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 0.00 538 D 8.58 4.32 0.00 2.69 2.75 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 0.00 539 L 7.81 3.84 0.00 1.69 1.58 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 540 L 7.79 3.73 0.00 1.69 1.63 0.94 0.23 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 0.00 541 L 8.10 4.06 0.00 2.00 1.73 0.93 0.83 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 0.00 542 E 8.15 4.07 0.00 2.15 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 0.00 543 M 8.05 4.01 0.00 1.04 1.65 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.58 0.00 544 L 8.51 4.31 0.00 2.02 1.96 1.14 1.44 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 0.00 545 D 8.62 4.47 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 A 7.86 4.15 1.46 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 0.00 0.00 547 H 8.38 4.56 0.00 3.37 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 8.03 3.84 0.00 2.03 1.87 0.00 3.27 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 549 L 7.84 3.98 0.00 1.66 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.