NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 304 N 4.8247 8.4244 118.1243 53.7421 41.3716 173.6342 305 S 4.4865 7.7196 120.5499 56.9690 65.9332 173.8578 306 L 4.3796 8.5826 123.8627 56.4193 45.7968 175.9000 307 A 3.9990 7.7135 122.8929 54.4546 18.5000 179.0182 308 L 4.1987 7.9165 114.0727 56.5777 41.8969 177.6725 309 S 4.6963 7.5729 112.2167 57.7306 63.1722 173.9214 310 L 4.4437 7.4887 121.3012 54.5930 42.3009 177.5785 311 T 4.2287 8.9484 113.9675 60.8566 71.1291 175.9331 312 A 3.9072 8.2300 122.3929 55.4538 18.2744 179.4958 313 D 4.3587 7.9509 116.8832 57.7302 40.8396 178.9942 314 Q 3.9810 8.0753 118.4352 58.7613 28.5876 178.2643 315 M 3.9599 8.2231 119.5217 58.6073 32.2595 178.2583 316 V 3.5430 7.7987 118.2409 66.1899 31.7889 177.6944 317 S 4.0729 8.3336 112.7094 61.4077 62.1552 175.9998 318 A 3.9856 8.3329 123.5868 55.2142 18.3073 179.6318 319 L 3.9665 8.1379 117.6221 58.0314 41.5017 179.7196 320 L 4.1577 8.0558 118.0358 58.0488 41.6029 179.0986 321 D 4.5338 7.9828 117.5651 57.0132 40.8828 178.3002 322 A 4.2721 8.0181 120.2757 53.1073 18.6301 177.6858 323 E 3.9217 7.3392 115.8416 56.3226 30.0370 175.6991 324 P 4.4828 0.0000 0.0000 61.7695 32.1174 174.4059 325 P 4.4235 0.0000 0.0000 62.4692 32.0984 175.9293 326 I 4.0014 7.9662 120.2842 60.3828 37.0837 176.1665 327 L 4.3724 8.1526 125.5518 54.2502 42.6804 176.0689 328 Y 4.6051 8.2813 118.2700 56.6749 39.7138 175.7263 329 S 4.7721 8.8283 117.2057 57.3640 64.4556 173.9544 330 E 4.3885 8.6437 118.1620 56.2801 29.7374 175.3439 331 Y 4.4327 7.6096 120.4668 58.8603 39.0638 175.3947 332 D 4.3640 8.5929 126.8255 52.1631 40.9572 174.5469 333 P 3.5112 0.0000 0.0000 63.5415 31.5798 177.0459 334 T 4.1464 7.6781 108.9687 62.2677 69.4861 174.8514 335 R 4.5650 7.0069 121.9152 53.2561 32.3960 174.1282 336 P 4.3128 0.0000 0.0000 62.5217 32.0915 175.9194 337 F 4.6602 8.3050 118.0442 57.1361 40.0140 175.6255 338 S 4.8833 8.9937 118.3351 55.9927 66.9486 174.9334 339 E 3.8600 8.6027 121.0474 59.4378 29.2351 178.4832 340 A 3.9958 7.9332 120.5070 55.0969 18.5343 179.6286 341 S 4.1143 8.5484 113.3597 61.6468 63.1483 176.1920 342 M 3.8174 8.1197 121.8751 58.7027 31.8849 177.9451 343 M 4.0722 7.9735 118.7309 58.4041 32.0671 179.0266 344 G 3.6291 8.2237 105.6561 47.7925 0.0000 175.6389 345 L 4.3088 7.9465 123.0179 56.9856 41.6629 179.7697 346 L 3.8715 7.9097 119.0480 57.9730 41.5016 179.7227 347 T 3.9700 8.2000 110.0621 64.4698 68.8820 176.1756 348 N 4.2500 8.4742 120.3198 56.4460 39.0047 176.4621 349 L 3.9675 8.0653 121.2948 58.2464 42.2617 178.7552 350 A 4.0897 8.1829 120.6681 55.1402 18.4015 178.9005 351 D 4.2736 8.3506 116.6786 57.8707 40.9626 178.9975 352 R 4.0663 7.9689 117.7966 59.1134 29.9156 178.8649 353 E 3.9406 8.4008 118.6043 59.0008 29.4441 179.0733 354 L 4.0408 7.9861 119.4148 57.7942 41.3486 179.6983 355 V 3.6008 7.4456 117.3930 66.3794 31.4024 177.9082 356 H 4.3488 7.8724 115.7181 58.8196 28.4422 177.4835 357 M 4.2073 8.5281 120.5236 58.8887 32.0155 178.3048 358 I 3.8160 7.8683 119.9185 64.6110 37.0288 178.1427 359 N 4.4570 7.8057 115.0540 55.6731 38.7376 177.0519 360 W 4.2685 8.7088 130.3092 60.2760 30.7475 177.9650 361 A 2.5960 8.4383 121.3051 54.5009 17.4731 179.7661 362 K 4.2160 7.5140 116.0219 59.0234 32.1749 178.7780 363 R 4.3369 7.2437 116.0873 55.2005 30.5648 176.4304 364 V 3.5449 6.7608 121.1166 61.1340 31.7723 173.5242 365 P 4.3412 0.0000 0.0000 64.4775 31.2522 176.7836 366 G 4.2485 9.0481 111.4744 46.1679 0.0000 174.8740 367 F 4.0379 8.5709 122.7565 60.9561 39.5296 177.3832 368 V 3.7817 7.7023 111.5193 62.8760 31.9592 176.9251 369 D 4.3768 7.5766 120.0648 56.6022 40.8768 176.7143 370 L 4.4551 6.9752 118.2848 53.6780 42.6416 177.4001 371 T 3.9335 8.0196 111.4544 61.7069 70.4408 175.0686 372 L 3.8429 8.3382 123.4473 58.9241 42.1994 179.0965 373 H 4.3325 7.9966 115.2310 58.5059 28.7162 177.2663 374 D 4.6375 7.9298 120.6809 57.0885 40.7777 178.6999 375 Q 3.7942 8.1057 118.7576 58.8303 28.6197 178.8432 376 V 3.6958 8.0606 119.4029 66.3449 31.3411 177.5040 377 H 4.2256 8.0308 116.0291 59.4144 29.8517 176.8600 378 L 4.1674 8.0987 119.4695 57.8443 41.7650 179.2973 379 L 4.4003 8.1508 118.5392 57.6945 41.3672 179.6128 380 E 3.9352 8.2543 114.1325 57.4697 29.8581 177.8951 *382 A 4.3019 7.9506 121.9910 51.1355 20.8452 179.2931 383 W 4.3912 8.4472 114.7964 59.8318 27.9095 178.3057 384 L 3.3437 6.2329 120.7671 57.1157 41.3948 178.5496 385 E 3.8636 7.7372 118.3348 59.1977 29.5257 179.1865 386 I 3.7108 8.1329 120.3723 64.2594 37.1176 178.4433 387 L 4.0249 8.1129 119.9713 58.0558 41.3690 179.5766 388 M 3.9842 8.1586 118.7312 58.4334 31.8399 178.7309 389 I 3.8985 8.0212 118.9193 63.7142 38.0875 178.1834 390 G 3.7506 8.1221 106.6977 47.7223 0.0000 175.2144 391 L 3.7377 8.0895 123.8289 57.7517 41.8145 179.2411 392 V 3.3763 7.5413 118.0940 65.0224 31.5452 177.4201 393 W 4.4571 8.4593 128.3763 60.6757 30.2533 178.2537 394 R 3.5200 7.7906 116.7360 58.5266 29.7297 178.2032 395 S 4.3445 7.4009 112.8774 58.3323 62.8175 175.6788 396 M 3.8551 7.0568 123.0170 58.5534 31.7094 177.8249 397 E 4.3327 7.6551 113.4014 56.8373 30.3136 176.9076 398 H 4.7492 7.9232 115.7005 53.3067 29.3692 170.5987 399 P 4.2018 0.0000 0.0000 64.1761 31.2272 177.5442 400 G 3.9718 8.9313 109.1349 45.5903 0.0000 173.0109 401 K 4.8426 8.0023 117.9900 54.2931 35.6671 175.6485 402 L 4.2221 8.7105 121.3671 52.9770 43.0214 176.3443 403 L 4.4023 7.8840 128.4771 53.1354 40.4555 175.8901 404 F 4.0148 8.0883 120.9382 59.5722 39.6566 175.3577 405 A 4.6445 7.7813 120.3582 49.8047 22.2930 175.0182 406 P 4.1802 0.0000 0.0000 65.2902 31.4107 177.4476 407 N 5.0090 8.2602 112.9064 52.5958 37.6004 175.5110 408 L 4.8178 8.0333 120.5536 53.9834 42.1671 173.9298 409 L 5.0042 7.9755 121.2179 53.4701 43.7483 175.6162 410 L 5.1479 8.8435 126.7858 53.2069 44.9670 176.1448 411 D 5.2414 9.0348 122.4037 53.1339 42.8642 177.9551 412 R 4.2290 8.1594 114.1853 59.7891 28.9738 178.8469 413 N 4.4398 8.2134 116.3770 55.6635 38.3912 176.4335 414 Q 4.2850 7.9917 117.9467 57.1368 29.1428 177.8489 415 G 2.5922 7.5815 106.2110 46.1824 0.0000 174.5928 416 K 4.0411 6.9434 122.0288 55.1917 30.8109 176.9998 *418 V 3.8256 7.2622 118.9271 62.0109 32.9489 173.9774 419 E 4.0470 9.0334 128.4521 57.7618 29.6790 177.1712 420 G 3.8687 8.7866 113.3397 46.5142 0.0000 174.2924 421 M 3.9006 7.8196 120.3034 57.7628 32.1048 178.4793 422 V 3.3999 7.4445 119.1336 64.6052 31.2038 177.9942 423 E 3.9416 8.0565 118.7552 59.2011 29.2970 179.2669 424 I 3.7781 7.6200 119.2172 64.4792 37.3760 177.9589 425 F 4.1768 8.4897 118.6581 61.1372 38.7132 177.6171 426 D 4.4813 8.4613 118.1784 57.7247 40.6217 178.8833 427 M 4.1193 7.8236 117.9030 58.1868 31.9566 178.8726 428 L 3.8546 7.9629 119.1860 57.7365 41.7345 179.4104 429 L 3.8363 8.3265 119.0305 57.8077 41.5562 179.4605 430 A 3.9352 8.2144 120.7785 55.5586 18.2122 179.8839 431 T 3.8105 7.7262 114.1402 66.5915 68.1633 177.3687 432 S 3.6205 7.8437 117.1770 61.4754 62.8095 176.5805 433 S 4.1071 8.1413 118.1382 61.8364 62.5701 176.9733 434 R 3.9385 7.9073 121.1110 59.4043 29.8041 178.3562 435 F 4.3652 8.6320 117.8856 60.8326 39.0325 177.7110 436 R 3.9689 8.2910 118.1926 59.6984 29.6917 178.4365 437 M 4.1142 8.0337 117.6202 58.4834 32.0639 178.0007 438 M 4.1939 8.0603 116.5194 54.7580 33.2376 175.4024 439 N 4.1347 7.8742 116.3540 53.5207 37.8579 174.1390 440 L 4.0272 8.1794 118.7929 56.1790 43.0732 176.6517 441 Q 4.8411 9.5853 124.6685 54.3934 31.8550 177.2814 442 G 3.3089 8.7181 109.1621 48.1099 0.0000 175.9536 443 E 3.9858 8.0909 120.2443 59.0792 29.4311 179.1895 444 E 3.8679 7.8642 118.2643 59.1526 29.6125 178.5072 445 F 3.8327 7.9541 120.9729 61.6392 39.3175 177.6168 446 V 3.0295 7.3115 111.4357 64.2858 31.1723 178.4374 447 C 4.0373 7.5633 115.9389 62.8757 28.0445 176.0954 448 L 3.8855 7.8273 120.5920 57.6938 41.2444 179.6255 449 K 3.8627 7.7897 119.5677 59.5251 32.0464 179.1584 450 S 4.3019 8.0598 115.3511 61.4398 62.6742 176.5627 451 I 3.6801 7.9965 122.8352 64.5014 36.8690 178.3596 452 I 3.6733 7.7530 120.4109 64.3068 36.7383 178.0391 453 L 4.0305 7.6573 119.4532 58.4607 42.0202 178.7811 454 L 4.3164 7.8302 116.7829 56.6325 41.9529 178.1681 455 N 4.5952 8.3861 117.3711 55.8620 39.1731 176.9676 456 S 4.0140 8.0656 115.3943 60.9151 63.2880 175.4571 457 G 3.8976 7.7667 106.2179 44.8715 0.0000 175.2052 458 V 3.1207 7.5979 121.0013 64.2671 31.5971 178.0803 459 Y 4.2985 8.0009 117.1530 60.6683 37.9684 176.2257 460 T 4.4721 7.4604 114.4971 63.9338 69.7207 175.4654 461 F 5.1401 7.0195 129.5644 57.8480 38.1994 179.3380 *469 L 4.2047 8.4384 125.4360 55.0542 41.2794 176.6752 470 E 4.1002 7.9017 123.1201 59.1039 30.0909 179.1146 471 E 3.8237 8.0431 119.2114 59.3362 29.6461 179.2475 472 K 4.2252 7.9159 117.8374 59.2261 32.4701 178.7633 473 D 4.4775 8.3413 118.4268 57.0911 41.0875 177.8951 474 H 4.1573 8.5181 119.3647 59.3346 29.8675 177.1599 475 I 3.6814 7.5827 121.2010 64.9578 36.9593 178.2055 476 H 4.3122 8.1454 116.3018 58.6061 28.3703 178.2016 477 R 3.9190 7.8408 119.9718 59.1783 29.9093 179.1390 478 V 3.5654 7.8238 118.0684 65.9987 31.5110 178.0716 479 L 4.0456 8.3187 119.1125 57.9216 41.3390 179.2719 480 D 4.4281 8.1718 118.8875 57.1260 40.6162 178.9845 481 K 4.1462 7.8455 118.9716 59.4618 31.9870 179.4577 482 I 3.7145 7.8046 120.1664 64.5442 36.9517 178.5868 483 T 3.8493 7.9481 116.5724 66.7153 68.3062 176.1048 484 D 4.3990 8.2643 120.9085 57.9017 40.9197 179.1759 485 T 3.8687 8.2204 116.2089 66.7014 68.4626 176.5267 486 L 3.9884 8.2404 121.1175 57.9688 41.5808 179.8009 487 I 3.7162 7.9649 119.6817 64.4379 36.9994 177.6478 488 H 4.0918 8.7957 119.5026 59.6489 29.6150 177.1492 489 L 3.9390 7.9941 120.3268 58.0490 41.4013 179.5375 490 M 4.0609 7.8767 118.0946 58.0611 31.8733 178.6405 491 A 3.9306 8.3271 121.4281 55.1184 18.3897 179.5557 492 K 3.8040 8.1572 117.0283 59.3539 32.2905 177.9585 493 A 4.3278 7.7132 118.4708 52.1853 18.6416 177.9725 494 G 3.8533 7.8981 105.6303 45.3424 0.0000 174.1112 495 L 4.2985 7.5094 119.1664 54.1426 42.2764 177.8608 496 T 4.1428 9.0382 113.3481 60.9688 70.9188 175.3871 497 L 3.7923 8.4266 122.8944 58.7373 41.9248 178.9796 498 Q 3.9683 7.9952 118.5336 59.3688 29.0194 178.0893 499 Q 4.0767 7.8972 118.5989 58.6095 28.6089 178.6211 500 Q 3.9697 8.2703 119.6722 59.2222 28.7505 178.3857 501 H 4.2680 7.9765 116.9774 58.9205 28.7712 177.8116 502 Q 3.9776 8.0567 119.8114 59.1514 28.5552 179.0984 503 R 4.1469 8.2865 121.3329 58.5796 30.0158 177.9874 504 L 3.8899 8.2215 120.3413 58.2760 41.9852 178.8324 505 A 3.9803 7.9571 120.3734 55.4059 17.7951 179.5395 506 Q 3.9484 8.1802 116.4236 59.1561 28.6315 179.2918 507 L 4.0022 8.1433 120.0325 57.8445 41.6935 179.5760 508 L 4.0696 8.2079 119.0210 57.5010 41.4862 179.3911 509 L 4.1407 8.2669 118.9344 57.3012 41.4975 179.3870 510 I 3.8420 7.5256 120.4116 64.2768 37.0230 178.2088 511 L 4.0842 7.7757 119.4146 57.6686 41.3179 179.4947 512 S 4.1291 7.8574 113.1753 61.4186 62.2407 175.6004 513 H 4.2983 8.0952 120.6759 59.1063 29.7326 177.1541 514 I 3.6547 7.9627 121.8212 64.0836 36.8347 178.3038 515 R 3.8717 8.0643 119.6588 59.6047 29.9373 177.8019 516 H 4.0020 7.9364 117.5409 59.8248 29.8354 176.9841 517 M 3.9693 8.0559 120.2667 58.3043 31.6499 178.7755 518 S 3.8756 7.9746 113.2433 61.3843 62.7005 175.9100 519 N 4.2435 8.1405 119.2134 56.3296 38.2536 177.6316 520 K 4.0743 8.1191 119.9665 59.3305 32.1252 179.7879 521 G 3.6051 8.5800 106.4729 47.7373 0.0000 175.4822 522 M 4.0350 8.3516 121.2034 58.5020 32.2993 178.2244 523 E 4.0840 8.0924 117.3707 59.5342 29.6437 178.6927 524 H 4.2161 8.2315 119.3174 59.0505 30.0339 176.9606 525 L 3.9062 8.3900 122.6551 58.4128 41.6764 178.3665 526 Y 4.1952 8.1222 118.8576 60.5502 38.7838 177.6393 527 S 4.1827 8.0037 114.6819 61.6878 63.0427 176.1538 528 M 4.1891 8.1783 122.0607 57.0960 31.4821 177.7043 529 K 4.5622 7.5098 118.9816 56.8189 32.2272 177.9356 *531 K 4.0424 7.9647 118.2058 54.4130 34.0460 174.5345 532 N 4.1071 7.5173 116.4429 54.9742 37.7207 174.9708 533 V 3.8614 7.3017 117.8966 63.8976 32.4140 177.1116 534 V 4.5073 7.2003 117.7596 58.9832 34.1378 172.3519 535 P 4.4213 0.0000 0.0000 62.5522 32.0309 175.7022 536 L 4.6256 8.1664 122.4306 53.0099 43.6535 177.1860 537 S 4.3492 8.2432 116.4934 58.1995 65.0985 175.0565 538 D 4.3353 8.6132 123.3919 57.5981 40.6372 178.8508 539 L 3.8491 7.8541 120.1274 58.1279 42.0483 178.6748 540 L 3.6385 7.7199 119.9080 58.0129 42.0153 178.7672 541 L 4.0013 8.3499 119.2951 58.0738 41.4345 179.4952 542 E 4.1072 8.6104 118.7899 59.4880 29.1492 179.2915 543 M 3.8707 7.5985 118.2266 57.8628 32.0075 178.3605 544 L 4.4436 8.0207 120.6000 58.5461 42.3445 178.8141 545 D 4.4250 8.6885 118.7387 57.0464 40.4590 178.5441 546 A 4.0972 7.8025 120.4738 54.6203 18.4029 178.3265 547 H 4.5656 8.1842 113.1643 55.8571 29.6273 175.9293 548 R 3.9435 6.7859 119.5485 56.7330 30.6922 176.6117 549 L 4.0224 8.2872 118.2293 55.3629 41.1650 174.7279 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 304 N 8.42 4.82 0.00 2.72 2.86 0.00 0.00 6.75 6.68 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 0.00 305 S 7.72 4.49 0.00 3.89 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 0.00 306 L 8.58 4.38 0.00 1.84 1.81 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 307 A 7.71 4.00 1.31 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 0.00 0.00 308 L 7.92 4.20 0.00 1.65 1.74 0.94 0.79 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 0.00 309 S 7.57 4.70 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 L 7.49 4.44 0.00 1.81 1.61 0.91 0.86 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 0.00 311 T 8.95 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 1.24 0.00 0.00 312 A 8.23 3.91 1.10 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 0.00 313 D 7.95 4.36 0.00 2.69 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 0.00 314 Q 8.08 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 315 M 8.22 3.96 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 316 V 7.80 3.54 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 317 S 8.33 4.07 0.00 3.98 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 0.00 318 A 8.33 3.99 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 0.00 319 L 8.14 3.97 0.00 1.83 1.75 0.90 0.83 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 0.00 320 L 8.06 4.16 0.00 1.76 1.78 0.94 1.05 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 0.00 321 D 7.98 4.53 0.00 2.95 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 0.00 322 A 8.02 4.27 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 0.00 323 E 7.34 3.92 0.00 2.26 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 2.66 2.51 0.00 324 P 0.00 4.48 0.00 2.14 2.08 0.00 3.61 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 1.88 1.66 0.00 325 P 0.00 4.42 0.00 2.17 2.10 0.00 3.66 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 1.75 1.90 0.00 326 I 7.97 4.00 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.70 0.00 0.00 327 L 8.15 4.37 0.00 1.64 1.63 1.03 0.88 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 0.00 328 Y 8.28 4.61 0.00 3.00 2.91 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 0.00 329 S 8.83 4.77 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.91 3.87 0.00 1.58 1.57 0.64 -0.47 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 0.00 347 T 8.20 3.97 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 1.26 0.00 0.00 348 N 8.47 4.25 0.00 2.87 3.15 0.00 0.00 6.77 7.01 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 0.00 349 L 8.07 3.97 0.00 1.94 1.87 0.98 1.06 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 0.00 350 A 8.18 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 351 D 8.35 4.27 0.00 2.75 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 0.00 352 R 7.97 4.07 0.00 2.13 2.04 0.00 3.24 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 353 E 8.40 3.94 0.00 2.24 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 2.36 2.62 0.00 354 L 7.99 4.04 0.00 1.91 1.68 0.57 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0.00 0.00 0.00 0.00 0.00 405 A 7.78 4.64 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 0.00 406 P 0.00 4.18 0.00 2.08 2.10 0.00 3.07 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.80 0.00 407 N 8.26 5.01 0.00 3.01 3.14 0.00 0.00 5.70 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 8.03 4.82 0.00 1.88 1.63 0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 409 L 7.98 5.00 0.00 1.64 1.59 0.71 0.99 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 0.00 410 L 8.84 5.15 0.00 1.80 1.68 0.76 1.06 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 5.24 0.00 2.67 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 0.00 412 R 8.16 4.23 0.00 2.13 2.26 0.00 2.80 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 413 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 0.00 431 T 7.73 3.81 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 1.03 0.00 0.00 432 S 7.84 3.62 0.00 3.84 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 0.00 433 S 8.14 4.11 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 R 7.91 3.94 0.00 1.97 2.16 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 435 F 8.63 4.37 0.00 3.24 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 0.00 436 R 8.29 3.97 0.00 2.12 2.07 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 437 M 8.03 4.11 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 438 M 8.06 4.19 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 439 N 7.87 4.13 0.00 2.87 2.86 0.00 0.00 7.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.18 4.03 0.00 1.42 1.68 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 9.59 4.84 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 442 G 8.72 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 0.00 0.00 0.00 443 E 8.09 3.99 0.00 2.04 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 0.00 2.40 2.46 0.00 444 E 7.86 3.87 0.00 2.05 1.88 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 2.34 2.31 0.00 445 F 7.95 3.83 0.00 2.05 2.33 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 0.00 446 V 7.31 3.03 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 0.85 0.00 0.00 0.91 0.00 0.00 447 C 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0.00 7.02 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 0.00 456 S 8.07 4.01 0.00 3.93 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 0.00 457 G 7.77 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 0.00 0.00 0.00 458 V 7.60 3.12 2.35 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 1.04 0.00 0.00 1.07 0.00 0.00 459 Y 8.00 4.30 0.00 2.81 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 T 7.46 4.47 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 461 F 7.02 5.14 0.00 3.19 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 0.00 0.00 0.00 *469 L 8.44 4.20 0.00 1.60 1.63 0.92 0.71 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 0.00 470 E 7.90 4.10 0.00 2.13 2.21 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 1.61 1.48 0.00 504 L 8.22 3.89 0.00 1.90 1.88 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 505 A 7.96 3.98 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 0.00 506 Q 8.18 3.95 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 507 L 8.14 4.00 0.00 1.81 1.66 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 508 L 8.21 4.07 0.00 1.68 1.71 0.93 0.75 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 0.00 509 L 8.27 4.14 0.00 1.70 1.73 0.93 0.65 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 0.00 510 I 7.53 3.84 2.14 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 1.84 1.30 1.20 0.00 0.00 511 L 7.78 4.08 0.00 1.80 1.72 0.91 1.12 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 0.00 512 S 7.86 4.13 0.00 3.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 H 8.10 4.30 0.00 3.29 3.47 0.00 5.92 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 7.96 3.65 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.90 0.00 0.00 515 R 8.06 3.87 0.00 1.99 2.07 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 516 H 7.94 4.00 0.00 3.35 3.43 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 8.06 3.97 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 518 S 7.97 3.88 0.00 3.81 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 0.00 519 N 8.14 4.24 0.00 2.81 2.78 0.00 0.00 7.09 6.42 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 0.00 520 K 8.12 4.07 0.00 1.68 1.79 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.45 7.81 521 G 8.58 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 0.00 522 M 8.35 4.03 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 523 E 8.09 4.08 0.00 2.32 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 2.41 2.33 0.00 524 H 8.23 4.22 0.00 3.25 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 L 8.39 3.91 0.00 1.93 1.95 0.99 1.03 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 8.12 4.20 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 S 8.00 4.18 0.00 4.09 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 0.00 528 M 8.18 4.19 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 529 K 7.51 4.56 0.00 1.92 1.72 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.60 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *531 K 7.96 4.04 0.00 1.79 1.80 0.00 1.95 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.40 7.81 532 N 7.52 4.11 0.00 2.70 2.74 0.00 0.00 7.18 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 0.00 533 V 7.30 3.86 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 0.73 0.00 0.00 0.91 0.00 0.00 534 V 7.20 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 0.75 0.00 0.00 0.96 0.00 0.00 535 P 0.00 4.42 0.00 2.20 2.10 0.00 3.75 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 1.99 1.98 0.00 536 L 8.17 4.63 0.00 1.65 1.63 0.95 0.94 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 0.00 537 S 8.24 4.35 0.00 4.03 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 8.61 4.34 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 7.85 3.85 0.00 1.70 1.74 0.82 0.48 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 0.00 540 L 7.72 3.64 0.00 1.75 1.77 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.35 4.00 0.00 1.83 1.72 0.95 1.02 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 0.00 542 E 8.61 4.11 0.00 1.90 1.96 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 2.32 2.58 0.00 543 M 7.60 3.87 0.00 0.51 1.03 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 1.92 2.55 0.00 544 L 8.02 4.44 0.00 2.01 2.01 1.14 1.31 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 0.00 545 D 8.69 4.43 0.00 2.75 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 0.00 546 A 7.80 4.10 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 0.00 547 H 8.18 4.57 0.00 3.37 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 6.79 3.94 0.00 1.79 1.70 0.00 2.21 0.00 0.00 2.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 549 L 8.29 4.02 0.00 1.82 1.75 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.