NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 305 S 4.4378 8.3344 115.2892 58.2461 63.2118 172.6137 306 L 4.3230 8.2676 115.1473 55.4989 48.7916 175.5811 307 A 4.0429 8.9349 122.5514 55.1703 19.3030 178.7279 308 L 4.1910 7.9045 114.3181 56.7551 41.9316 177.7151 309 S 4.6240 7.5969 111.3360 57.7114 63.6560 174.5644 310 L 4.2408 7.2443 120.7489 55.0086 41.9487 177.6151 311 T 4.2760 9.0668 113.6050 60.7974 71.3580 175.9548 312 A 3.8718 8.1896 121.9676 55.3775 18.2296 179.4813 313 D 4.3411 7.8939 116.9444 57.5834 40.9451 178.9112 314 Q 3.9660 8.0038 118.2873 58.9012 28.6677 178.3294 315 M 3.9796 8.3380 119.8833 58.6906 32.2545 178.7401 316 V 3.6284 7.8195 119.3185 64.6590 31.5135 178.2060 317 S 4.0283 8.4123 113.8653 61.1120 62.2625 175.7835 318 A 3.9831 8.3912 123.7734 55.5192 17.8770 179.6917 319 L 4.0485 7.6346 115.9071 57.6387 41.8441 179.3276 320 L 4.1671 8.2940 119.5284 57.9999 41.3516 179.2745 321 D 4.4092 8.0397 117.4992 56.9090 40.8934 178.2233 322 A 4.2263 7.9782 120.0534 52.8149 18.7625 177.4674 323 E 3.9878 7.4214 119.0619 55.8729 30.1014 175.1217 324 P 4.6093 0.0000 0.0000 61.6294 32.3620 174.1011 325 P 4.5042 0.0000 0.0000 62.0964 32.2346 176.0267 326 I 3.9114 8.0683 120.5682 60.9205 37.0568 176.2240 327 L 4.4879 8.2171 125.5435 54.1572 42.8280 175.8126 328 Y 4.5725 8.2308 117.7311 56.3192 39.9072 175.9875 329 S 4.5071 8.5774 117.1795 58.0367 63.1073 174.1732 330 E 4.3593 8.6098 124.7955 56.4958 29.0947 175.8799 331 Y 4.7977 8.0482 117.9063 56.5735 39.8485 173.9842 332 D 4.4570 8.5193 124.6985 54.8973 43.4394 175.8312 *337 F 4.5006 7.7059 115.6565 57.3627 40.3135 174.0094 338 S 4.6078 8.1780 115.0161 56.6038 65.8349 173.9180 339 E 3.8730 8.8613 118.4856 59.8485 29.3711 179.4635 340 A 4.0000 7.8414 120.6519 54.9524 18.5853 179.6547 341 S 3.9089 7.6757 112.0954 61.7888 63.1622 175.7684 342 M 3.9745 7.7348 121.5212 59.3103 31.8919 178.2460 343 M 4.1789 8.2582 118.3265 58.0260 32.0908 179.2432 344 G 3.5566 7.9720 106.3027 47.4838 0.0000 175.9478 345 L 3.9607 7.9737 121.5004 57.6036 41.6281 179.6552 346 L 3.9322 7.9726 119.1716 58.0293 41.4760 179.7706 347 T 3.9774 7.9669 109.7338 64.5182 68.8148 176.2925 348 N 4.2712 8.0286 119.7177 56.3968 38.9333 176.6609 349 L 3.9732 8.0188 121.4687 58.1124 42.2959 178.5492 350 A 4.0814 8.2917 121.0165 55.3209 17.7809 179.0152 351 D 4.2598 8.3999 116.5303 57.6103 40.9003 178.7243 352 R 4.0033 8.0965 118.3658 59.5033 30.1074 178.9196 353 E 4.1254 8.9298 118.5875 59.4416 29.3812 179.4207 354 L 4.0652 8.1446 119.1012 57.7903 41.5200 179.7698 355 V 3.6207 7.5791 117.1371 66.3609 31.4810 177.8885 356 H 4.2055 8.0225 114.8367 58.9417 28.4595 177.4188 357 M 4.1780 8.8019 120.4610 58.8373 31.9058 178.3086 358 I 3.8211 8.0730 119.9526 64.6188 37.0563 178.1553 359 N 4.4412 7.9171 116.4233 55.4384 38.6136 177.0260 360 W 4.3207 8.7787 130.3586 60.5694 30.8221 177.5912 361 A 2.5800 8.4444 121.1358 54.6502 17.4533 179.6439 362 K 4.2253 7.4840 115.4095 59.3235 32.6432 178.4387 363 R 4.3748 7.5477 117.8583 54.9182 30.7310 176.2458 364 V 3.5148 6.7643 121.1397 61.2771 31.8646 173.6107 365 P 4.4174 0.0000 0.0000 64.1599 31.6551 175.5038 366 G 4.3818 9.0024 110.1513 46.7493 0.0000 175.5454 367 F 4.0893 8.5153 121.7903 61.3810 39.4104 177.7202 368 V 3.7519 7.8062 111.4229 63.8136 31.6841 177.2201 369 D 4.4027 7.7477 118.4831 56.3845 40.8649 176.6845 370 L 4.4850 7.3971 118.9753 53.7827 42.5572 177.3432 371 T 4.0385 7.9986 110.7473 61.4597 70.7378 174.9359 372 L 3.8472 8.5192 123.8033 58.9104 41.9238 179.0380 373 H 4.1699 8.1065 117.4902 59.3752 29.9348 176.8887 374 D 4.4864 8.0624 120.6031 57.2913 40.6099 178.8315 375 Q 3.7103 8.2075 118.8140 58.7761 28.6474 178.6323 376 V 3.6674 7.9134 119.3416 66.5494 31.3000 177.4524 377 H 4.1943 7.9997 116.1856 59.4489 29.7760 176.8970 378 L 4.2009 7.9879 119.7155 57.7136 41.9050 179.1556 379 L 4.4258 8.3519 119.1254 57.6033 41.3358 179.7890 380 E 4.4550 8.4003 115.7820 56.7942 29.5906 177.8061 *382 A 4.2949 8.0055 121.8555 51.1645 20.7659 179.4624 383 W 4.2881 8.2553 114.3239 59.5228 28.0030 178.2599 384 L 3.2817 6.1044 120.4818 57.4540 41.4036 178.4328 385 E 3.9013 7.7783 118.0683 59.5449 29.5056 179.3498 386 I 3.6820 7.9617 119.9393 64.2238 37.0951 178.5097 387 L 4.0214 8.1456 120.0638 57.9997 41.4367 179.4956 388 M 3.9569 8.4609 119.0233 58.3975 31.8263 178.6376 389 I 3.9077 8.2769 119.3693 63.9422 38.0426 178.1676 390 G 3.7532 8.1227 106.4339 47.6909 0.0000 175.2802 391 L 3.7410 7.9887 123.2517 57.9126 41.8449 179.3334 392 V 3.4263 7.5780 116.6520 65.4114 31.7238 177.5299 393 W 4.2622 8.4760 128.3747 60.6923 30.3066 177.9688 394 R 3.6010 7.8691 116.8351 59.2640 29.8125 178.3278 395 S 4.3137 7.5008 111.9698 58.8897 62.8231 175.9796 396 M 3.9157 7.0531 121.1630 57.9978 31.7043 177.4332 397 E 4.2214 7.7068 113.9159 56.9169 30.1621 177.1780 398 H 4.8234 7.8720 115.9627 52.6912 29.1605 171.0400 399 P 4.2220 0.0000 0.0000 64.2612 32.0530 177.4341 400 G 3.9470 8.8914 109.0994 45.7179 0.0000 173.2437 401 K 4.7702 7.7486 117.0976 54.2698 36.0953 175.5650 402 L 4.3546 8.3451 121.0964 52.9231 43.2966 176.3537 403 L 4.6501 8.0944 127.7058 53.5662 40.4209 175.9625 404 F 4.0131 8.7789 122.4146 59.6744 39.5640 175.5298 405 A 4.4641 7.5088 120.4232 50.3727 21.5775 175.0938 406 P 4.2117 0.0000 0.0000 64.9132 31.4164 177.3336 407 N 5.0953 8.0570 113.7984 52.3337 38.0367 175.5085 408 L 4.7236 8.1613 121.5850 54.3833 42.8146 172.7678 409 L 4.9784 7.9509 122.5932 53.3744 43.8877 175.3246 410 L 5.0104 8.7716 125.7295 53.0611 45.4033 176.3347 411 D 4.9828 9.3109 123.5769 53.2557 42.0764 177.8082 412 R 4.2033 8.6221 117.2355 59.4514 29.9250 178.6483 413 N 4.2566 8.2888 115.9142 56.3317 38.1987 176.6544 414 Q 4.2038 7.8317 117.5268 57.6906 28.9944 178.1841 415 G 2.8780 7.4187 106.4778 46.6479 0.0000 175.8147 416 K 3.9568 7.0878 121.9743 55.5491 31.3186 177.0528 *418 V 3.6682 7.6588 116.9571 62.3671 32.4486 173.7764 419 E 4.1267 8.5840 127.1545 58.9415 28.9223 176.6103 420 G 4.0055 8.9648 115.3468 45.6004 0.0000 173.1442 421 M 4.1769 7.6812 119.1822 57.2937 32.3601 178.2598 422 V 3.4897 7.6063 119.1521 64.6971 31.3934 178.0295 423 E 3.9977 8.1032 118.8453 59.3601 29.2747 179.1708 424 I 3.8566 7.6164 119.3666 64.1429 37.2546 178.1546 425 F 4.0420 8.7439 119.0198 60.8229 38.7145 177.4989 426 D 4.3815 8.4027 118.3971 57.5936 40.5880 178.7828 427 M 4.0353 7.9263 119.0177 58.2756 31.9400 178.8117 428 L 3.8307 8.0888 119.2897 57.7755 41.7977 179.5828 429 L 3.8504 8.1415 118.9537 57.5542 41.4696 179.3452 430 A 3.9355 8.1232 120.8700 55.5120 18.2270 179.8673 431 T 3.5328 7.5795 114.1261 66.5650 68.3611 176.8174 432 S 3.8371 7.8304 115.0327 61.4009 62.3632 176.1742 433 S 4.1275 8.0152 115.7240 61.3658 62.2424 176.0586 434 R 3.9436 8.0996 121.4605 59.4726 29.7924 178.4998 435 F 4.5239 8.5160 117.8616 60.5488 38.8729 177.6342 436 R 3.8444 8.2764 118.4545 59.8651 29.7429 178.3129 437 M 4.0409 8.2257 117.4259 58.6238 32.0645 177.8772 438 M 4.2501 7.9069 115.2747 54.4204 33.2887 175.3376 439 N 4.0974 8.1696 117.3144 53.8158 38.0480 174.2474 440 L 4.0900 7.8011 118.4876 55.8325 43.0945 176.7132 441 Q 4.8797 9.1404 124.8909 54.1747 32.0671 177.3665 442 G 3.3207 8.5721 107.9593 48.1422 0.0000 175.7908 443 E 3.9618 8.1510 120.7551 59.1261 29.4727 179.3123 444 E 3.9133 7.9554 118.0810 59.1038 29.6555 178.5957 445 F 3.8783 8.0201 120.9703 61.5962 39.3261 177.6538 446 V 3.0921 7.4765 111.5368 64.3291 31.2054 178.4967 447 C 4.0828 7.5597 115.4859 62.7640 27.9745 176.0533 448 L 3.9261 7.7921 120.5738 57.6250 41.1392 179.5103 449 K 3.8913 7.6889 119.5626 59.2668 32.1768 179.1318 450 S 4.2854 8.0782 115.5476 61.5248 62.6203 176.6751 451 I 3.6987 7.8384 122.5449 64.4057 36.8870 178.3004 452 I 3.6682 7.8190 120.6176 64.3458 36.7329 177.9221 453 L 4.0362 7.7217 119.5628 58.5893 42.0250 178.9073 454 L 4.2101 7.6896 116.8067 57.2453 41.9024 178.3637 455 N 4.5268 8.4823 117.2256 55.9277 38.8894 177.2445 456 S 4.0160 8.1529 115.9942 60.9557 63.3682 175.3448 457 G 4.0458 7.8294 106.8844 45.0714 0.0000 175.4714 458 V 3.0379 7.4773 121.0994 63.8592 31.7394 177.2337 459 Y 4.3776 8.0367 118.4382 61.0298 38.0668 177.8003 460 T 4.6052 7.6486 114.0652 63.9984 68.7657 175.1471 461 F 4.8250 8.3920 123.7867 58.1859 38.8838 176.8127 *473 D 4.7048 8.6942 128.1564 55.6355 42.4593 176.4939 474 H 4.1227 8.4043 117.4582 59.8196 29.6313 176.8338 475 I 3.6438 7.8315 119.8074 64.1031 37.9545 177.2711 476 H 4.4055 8.1327 115.5940 58.3732 28.6823 177.6725 477 R 3.8457 9.1201 122.0588 58.9319 29.9144 179.1043 478 V 3.5721 7.9550 118.6188 65.8222 31.4494 178.1353 479 L 4.0189 7.9079 118.8756 57.7644 41.3856 179.1686 480 D 4.3004 8.1395 118.9305 57.2248 40.7606 178.5662 481 K 3.8938 7.9877 120.0980 59.6576 32.0044 178.9180 482 I 3.7360 7.5634 119.4683 64.4225 37.0813 178.1079 483 T 3.8718 7.9712 116.7999 67.1351 68.3241 176.0488 484 D 4.3884 8.4743 120.6910 57.7156 40.8107 179.1818 485 T 3.8557 7.8721 116.1446 66.4685 68.4760 176.6487 486 L 3.9666 8.1955 121.2203 57.9446 41.6356 179.5101 487 I 3.6875 7.6557 119.5632 64.8376 37.0498 177.7813 488 H 4.0819 8.3928 118.8711 59.3739 29.7204 177.2406 489 L 3.9524 8.0235 120.6077 58.1107 41.4699 179.4532 490 M 4.0686 8.1970 118.4287 58.1889 31.8897 178.7088 491 A 3.9423 8.2108 121.1724 55.0627 18.3656 179.5112 492 K 3.8035 7.9617 116.8310 59.2514 32.2667 177.8632 493 A 4.3699 7.4660 117.9640 51.9832 18.9888 177.8434 494 G 3.9959 7.8921 105.6927 44.7966 0.0000 174.5886 495 L 4.2680 7.4849 120.1006 54.5152 42.3692 177.7517 496 T 4.1641 8.7827 113.2319 61.1668 70.8649 175.6542 497 L 3.9457 8.4297 121.3977 58.2971 41.6184 179.7385 498 Q 3.6421 7.9477 118.6634 59.2077 29.1101 178.0700 499 Q 4.0237 7.9917 118.7419 58.6935 28.6319 178.9237 500 Q 3.9664 8.0134 119.6345 59.2590 28.8420 178.3312 501 H 4.3474 8.0337 116.0521 58.5489 28.6283 177.6994 502 Q 4.0276 8.0245 121.0213 58.8907 28.5733 178.5744 503 R 4.3137 8.1020 121.1151 58.5630 30.1116 178.1723 504 L 3.9438 8.1361 120.1908 58.0149 42.0549 178.9410 505 A 3.9743 8.0435 120.6312 55.3183 18.2599 179.5011 506 Q 4.0006 8.2074 116.6155 59.1416 28.6886 179.3515 507 L 4.0471 7.9872 119.7635 57.9971 41.2899 179.7048 508 L 4.1103 7.9375 118.6441 57.5528 41.5993 179.5466 509 L 4.0928 8.0945 119.1879 57.6501 41.4294 179.4570 510 I 3.9208 7.6702 119.7380 64.2325 36.9025 178.3359 511 L 4.0333 7.7808 119.3755 57.6464 41.3300 179.4475 512 S 4.0426 7.9035 112.9656 61.6419 62.2765 175.9163 513 H 4.2712 8.0482 118.4797 58.5973 28.4621 177.7203 514 I 3.6790 8.0521 122.0758 64.1112 36.9386 178.0789 515 R 3.8874 8.1738 119.9286 59.8687 29.8436 177.8308 516 H 4.0552 8.1234 117.6487 59.7138 29.7922 177.0890 517 M 4.0492 8.2156 120.4288 58.3446 31.7054 178.7277 518 S 3.9335 8.1991 113.4408 61.4364 62.5813 176.0311 519 N 4.3381 8.1654 119.1835 56.1757 38.2514 177.6487 520 K 4.1420 8.1376 120.2054 59.2107 32.0620 179.7399 521 G 3.6025 8.4856 106.6498 47.9120 0.0000 175.4928 522 M 4.0442 8.4126 121.0891 58.3731 32.2165 177.9952 523 E 4.0082 8.0820 119.1145 59.6310 29.8300 178.5326 524 H 4.3301 8.3383 116.1671 58.3443 28.6589 177.6120 525 L 4.0536 8.2420 122.9144 58.2769 41.7438 178.3271 526 Y 4.1500 8.0245 118.5754 60.7471 38.8078 177.5508 527 S 4.0741 8.0191 113.3475 61.4651 62.3036 175.4831 528 M 4.2058 8.0834 121.0288 57.9408 31.9526 177.8622 529 K 4.1122 8.0866 116.8308 57.8410 32.0735 177.7523 *531 K 4.0395 7.7928 115.2116 55.8296 34.0095 175.2265 532 N 4.1088 7.8086 117.2558 54.6301 37.7652 175.4195 533 V 3.8265 7.3229 114.4255 63.4383 32.2393 177.9598 534 V 4.4857 7.3408 117.3270 58.5226 34.0467 173.4354 535 P 4.3514 0.0000 0.0000 62.8617 31.7983 175.5273 536 L 4.7564 8.0660 120.8621 52.6993 44.1487 177.1819 537 S 4.3404 8.2427 116.2364 58.3917 64.9832 175.1520 538 D 4.3230 8.5827 123.0660 57.3726 40.5463 178.8853 539 L 3.8288 7.7632 120.2880 58.1412 42.1467 178.5875 540 L 3.6333 7.7603 120.1987 58.0609 41.9632 178.8759 541 L 3.9949 8.2112 119.2610 57.9355 41.6713 179.4106 542 E 4.1241 8.4205 118.6571 59.3985 29.1655 179.2576 543 M 3.8917 7.9643 118.5645 58.0426 32.1336 178.2943 544 L 4.3922 8.1570 120.7554 58.3578 42.3994 178.1582 545 D 4.4243 8.6327 118.2431 57.7013 40.8565 178.2546 546 A 4.3635 7.8448 119.3049 55.0966 18.3547 178.2617 547 H 4.5432 8.6779 112.5638 55.5731 29.0632 175.4041 548 R 4.1252 7.9082 127.5567 56.0272 32.1597 173.7368 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 305 S 8.33 4.44 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 306 L 8.27 4.32 0.00 1.71 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 307 A 8.93 4.04 1.33 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 0.00 0.00 308 L 7.90 4.19 0.00 1.64 1.74 0.94 0.85 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 0.00 309 S 7.60 4.62 0.00 3.98 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 7.24 4.24 0.00 1.78 1.62 0.90 0.82 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 0.00 311 T 9.07 4.28 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 1.20 0.00 0.00 312 A 8.19 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 D 7.89 4.34 0.00 2.72 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 8.00 3.97 0.00 2.35 2.13 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 8.34 3.98 0.00 2.20 2.02 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 2.56 2.56 0.00 316 V 7.82 3.63 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 0.96 0.00 0.00 0.93 0.00 0.00 317 S 8.41 4.03 0.00 3.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 A 8.39 3.98 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 7.63 4.05 0.00 1.64 1.75 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 320 L 8.29 4.17 0.00 2.02 1.74 0.92 1.09 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 0.00 321 D 8.04 4.41 0.00 2.88 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 0.00 322 A 7.98 4.23 1.33 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 0.00 0.00 323 E 7.42 3.99 0.00 2.05 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 2.40 2.36 0.00 324 P 0.00 4.61 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 325 P 0.00 4.50 0.00 2.21 2.12 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 326 I 8.07 3.91 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.74 0.00 0.00 327 L 8.22 4.49 0.00 1.62 1.64 0.87 0.92 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 0.00 328 Y 8.23 4.57 0.00 2.98 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 0.00 329 S 8.58 4.51 0.00 3.97 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 0.00 330 E 8.61 4.36 0.00 2.01 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 2.33 2.40 0.00 331 Y 8.05 4.80 0.00 2.92 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 0.00 332 D 8.52 4.46 0.00 2.62 2.57 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 *337 F 7.71 4.50 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 S 8.18 4.61 0.00 3.93 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 432 S 7.83 3.84 0.00 3.69 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 0.00 433 S 8.02 4.13 0.00 3.88 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 0.00 434 R 8.10 3.94 0.00 1.99 2.11 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 435 F 8.52 4.52 0.00 3.26 3.04 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 0.00 436 R 8.28 3.84 0.00 1.99 2.03 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 437 M 8.23 4.04 0.00 2.00 2.28 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 2.79 2.60 0.00 438 M 7.91 4.25 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 439 N 8.17 4.10 0.00 2.79 2.82 0.00 0.00 7.05 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 0.00 440 L 7.80 4.09 0.00 1.52 1.64 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 9.14 4.88 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 442 G 8.57 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 E 8.15 3.96 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 2.40 2.47 0.00 444 E 7.96 3.91 0.00 2.10 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 0.00 2.36 2.33 0.00 445 F 8.02 3.88 0.00 2.10 2.25 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 0.00 446 V 7.48 3.09 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 0.84 0.00 0.00 0.90 0.00 0.00 447 C 7.56 4.08 0.00 3.12 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 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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 0.00 457 G 7.83 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 0.00 0.00 0.00 458 V 7.48 3.04 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 0.97 0.00 0.00 0.78 0.00 0.00 459 Y 8.04 4.38 0.00 2.98 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 7.65 4.61 4.42 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 1.31 0.00 0.00 461 F 8.39 4.82 0.00 3.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *473 D 8.69 4.70 0.00 2.76 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 0.00 474 H 8.40 4.12 0.00 3.26 3.37 0.00 5.87 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 0.00 475 I 7.83 3.64 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.21 0.00 0.00 484 D 8.47 4.39 0.00 2.83 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 0.00 485 T 7.87 3.86 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 1.24 0.00 0.00 486 L 8.20 3.97 0.00 1.82 1.71 0.90 0.75 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 0.00 487 I 7.66 3.69 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.96 0.00 0.00 488 H 8.39 4.08 0.00 3.22 3.54 0.00 5.59 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 0.00 489 L 8.02 3.95 0.00 1.92 1.69 0.91 0.78 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 0.00 490 M 8.20 4.07 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 491 A 8.21 3.94 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 501 H 8.03 4.35 0.00 3.38 3.57 0.00 5.28 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.02 4.03 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 503 R 8.10 4.31 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 504 L 8.14 3.94 0.00 1.91 1.85 0.92 1.12 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 0.00 505 A 8.04 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 Q 8.21 4.00 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 507 L 7.99 4.05 0.00 1.87 1.71 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 508 L 7.94 4.11 0.00 1.73 1.73 0.93 0.66 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 0.00 509 L 8.09 4.09 0.00 1.91 1.77 0.95 0.63 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 0.00 510 I 7.67 3.92 2.26 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 1.16 0.00 0.00 511 L 7.78 4.03 0.00 1.85 1.72 0.92 0.76 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 0.00 512 S 7.90 4.04 0.00 3.87 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 0.00 513 H 8.05 4.27 0.00 3.41 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 8.05 3.68 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.93 0.00 0.00 515 R 8.17 3.89 0.00 1.94 2.10 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 516 H 8.12 4.06 0.00 3.37 3.47 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 8.22 4.05 0.00 2.05 2.18 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 2.80 2.55 0.00 518 S 8.20 3.93 0.00 3.72 3.88 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 0.00 519 N 8.17 4.34 0.00 2.82 2.79 0.00 0.00 7.07 6.26 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 0.00 520 K 8.14 4.14 0.00 1.75 1.89 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.52 7.81 521 G 8.49 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 M 8.41 4.04 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 523 E 8.08 4.01 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 524 H 8.34 4.33 0.00 3.41 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 L 8.24 4.05 0.00 2.01 1.97 1.05 1.32 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 0.00 526 Y 8.02 4.15 0.00 3.04 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 8.02 4.07 0.00 3.98 4.08 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 0.00 528 M 8.08 4.21 0.00 2.21 2.22 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 2.59 2.59 0.00 529 K 8.09 4.11 0.00 1.92 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 *531 K 7.79 4.04 0.00 1.78 1.86 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.66 7.81 532 N 7.81 4.11 0.00 2.74 2.90 0.00 0.00 7.16 7.86 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 0.00 533 V 7.32 3.83 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 0.77 0.00 0.00 0.92 0.00 0.00 534 V 7.34 4.49 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 0.78 0.00 0.00 0.92 0.00 0.00 535 P 0.00 4.35 0.00 2.19 2.09 0.00 3.72 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 1.98 1.98 0.00 536 L 8.07 4.76 0.00 1.64 1.61 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 537 S 8.24 4.34 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 8.58 4.32 0.00 2.73 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 7.76 3.83 0.00 1.70 1.59 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 540 L 7.76 3.63 0.00 1.70 1.60 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.21 3.99 0.00 1.94 1.70 0.95 0.98 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 0.00 542 E 8.42 4.12 0.00 2.07 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 2.32 2.55 0.00 543 M 7.96 3.89 0.00 0.51 1.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.50 0.00 544 L 8.16 4.39 0.00 1.98 2.01 1.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 545 D 8.63 4.42 0.00 3.11 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 0.00 546 A 7.84 4.36 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.54 0.00 3.41 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 7.91 4.13 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 * Residues marked with a * may have inaccurate shift predictions.