NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 451 K 4.2373 8.3149 120.1359 56.0909 34.1318 176.1542 452 W 4.1459 7.9298 117.7036 54.9562 29.5400 173.9821 453 H 4.9668 9.1346 118.2397 53.9739 31.6344 173.0866 454 F 4.1377 9.0522 120.0161 58.0578 39.7024 176.7663 455 G 3.7793 8.4620 109.4110 46.7460 0.0000 171.8378 456 V 4.6027 7.9940 118.9442 59.7418 33.5314 176.0535 457 R 4.7427 8.8665 124.5335 56.7357 30.9959 175.7654 458 C 4.8763 9.4196 116.4149 57.3013 33.2420 173.0233 459 R 5.1278 9.5189 120.0117 54.1252 33.0198 174.5369 460 G 3.9682 8.1502 110.3717 44.8499 0.0000 173.5047 461 D 4.7838 8.5540 124.4761 52.2398 42.5720 176.3488 462 A 3.2735 8.0415 128.8925 54.7121 18.9013 176.5897 463 P 4.9323 0.0000 0.0000 62.7007 32.3566 177.1949 464 E 4.0665 8.1965 121.9735 59.1285 29.4300 178.4707 465 I 3.7940 7.5949 112.9468 63.7601 37.9527 177.6750 466 L 3.7433 7.6255 120.7736 57.8893 41.7698 178.8383 467 L 4.0530 7.9436 119.8663 57.8401 41.9948 178.2856 468 A 3.9881 8.0663 120.8586 55.6582 18.1375 179.7195 469 V 3.4944 8.7461 117.1846 66.2661 31.5198 178.0692 470 Y 3.5235 7.9396 116.4076 61.0258 37.6343 178.4915 471 R 3.9393 8.3834 119.1231 59.1144 29.5714 179.0131 472 A 4.0443 8.2388 120.8079 55.0654 18.1147 179.7442 473 L 3.7587 7.2476 116.7530 57.6605 41.9700 178.9626 474 Q 4.3112 7.9401 119.4322 59.5999 28.7902 178.7561 475 R 3.9286 7.5591 116.9786 59.3852 30.1706 178.6791 476 A 4.2015 7.4507 118.6212 53.6943 18.4132 177.5449 477 G 3.9434 8.1367 106.0400 45.7797 0.0000 174.5806 478 A 3.7130 7.1102 119.7751 52.6969 18.4648 177.7511 479 Q 3.9746 8.5653 120.8737 55.1014 30.9917 174.5776 480 F 5.5365 7.5703 113.9601 56.5192 40.7788 173.7557 481 T 4.6027 8.6293 110.4910 60.8665 70.6315 173.9839 482 V 4.5697 8.0494 120.2446 60.0130 34.6462 173.2331 483 P 4.0846 0.0000 0.0000 63.0991 31.5042 176.0749 484 K 4.3082 8.3426 124.5174 53.5896 31.6684 173.7700 485 P 4.3047 0.0000 0.0000 62.8875 32.1475 177.9359 486 V 3.8471 8.0977 122.3475 60.9621 30.0752 176.2151 487 N 4.0766 7.7578 115.9316 55.3497 38.5841 174.2084 *492 S 4.5701 7.7393 110.7845 58.8319 64.2959 174.3209 493 D 4.6642 8.0062 118.2642 54.5741 39.2614 177.6040 494 M 4.1917 7.8682 117.4713 57.9502 31.4468 176.3916 495 Y 4.4186 7.6220 116.4311 57.9844 38.0547 174.6393 496 T 4.7616 8.1535 118.1979 62.1601 69.8939 173.4528 497 I 4.4698 8.7093 128.2543 59.3187 39.7721 175.3620 498 K 4.8274 8.9253 126.6578 54.8916 33.7334 174.9999 499 S 5.0826 9.2718 121.4517 56.9765 65.5307 173.3152 500 R 4.8698 8.9150 124.8559 54.7292 31.4227 174.6026 501 W 5.0932 9.2433 127.3772 55.3996 31.4382 175.3976 502 E 4.6732 8.8651 124.8117 55.4885 30.1801 175.8676 503 I 4.0042 8.1555 128.7574 60.4366 37.2045 175.4303 504 P 4.2353 0.0000 0.0000 65.5241 31.4437 177.8492 505 H 4.7337 8.1567 111.1554 55.9865 28.9067 174.8236 506 C 4.4779 8.2090 117.8175 61.4055 30.0786 175.7092 507 K 3.8066 8.0363 119.4000 60.3063 31.3134 178.5501 508 R 3.9938 7.6390 116.9662 58.6544 30.0325 178.4920 509 E 4.2217 7.4823 118.4771 58.7848 29.7211 176.2850 510 G 3.5852 8.1517 110.2255 45.5502 0.0000 174.8087 511 K 3.9998 7.9294 119.4281 57.2166 32.8213 177.4342 512 N 4.3692 7.9647 121.4128 51.9141 37.0509 173.4173 513 T 4.6654 7.0884 114.5533 60.7323 70.0662 173.7038 514 Y 4.8821 8.9608 125.8501 56.2782 41.6687 174.2124 515 A 5.2103 9.1272 122.0295 50.5303 22.6707 174.7188 516 Y 5.1898 8.9272 119.9036 56.4916 40.4951 175.1316 517 I 5.1581 8.9969 126.0409 58.2009 40.2119 174.7651 518 E 4.6553 8.9045 129.0963 56.0945 31.0222 175.1864 519 L 5.3638 9.6703 127.3406 53.0056 44.8684 175.1949 520 Q 4.9344 9.2465 124.2681 54.0949 32.4999 173.4498 521 L 5.1569 8.0850 126.7581 53.5149 44.3458 175.0712 522 Y 5.0587 8.6106 122.5577 55.9391 41.9839 174.7874 523 E 4.3891 9.2031 123.7713 56.3154 30.6618 176.1457 524 V 4.1234 8.2866 125.4732 64.3054 33.2295 175.1778 525 M 4.4551 7.1980 114.3739 52.9531 33.4732 171.2736 526 P 4.3066 0.0000 0.0000 65.6261 31.0704 176.0507 527 G 4.0207 8.9706 112.4244 44.5425 0.0000 171.6071 528 C 4.9346 7.7539 117.8708 57.8867 30.6850 173.2626 529 F 5.3798 9.5607 121.2492 55.9315 43.6862 173.1513 530 M 5.0728 9.0820 120.7671 53.9635 34.8106 174.6655 531 L 4.7545 9.4038 129.4758 53.7188 42.4321 174.6712 532 D 4.8665 9.1319 126.4492 54.1260 42.7672 175.1954 533 V 4.8493 8.4757 124.0136 61.4036 33.5608 174.1820 534 K 4.6059 8.9735 129.7971 54.9497 34.7473 174.6458 535 S 4.5216 7.8683 119.3215 56.2594 63.6566 173.8577 536 N 4.7744 8.9761 126.2705 53.0190 38.8809 176.1743 537 G 3.4530 7.9036 108.6159 44.9819 0.0000 172.3107 538 Y 5.4623 7.5446 114.9556 56.4125 41.6116 175.8498 539 K 4.5975 9.2982 121.2818 55.7834 36.2370 175.1973 540 D 4.9197 8.8402 127.6640 53.7146 42.2728 175.4060 541 I 3.9496 7.2860 119.9293 62.1188 38.1994 175.0752 542 Y 5.0165 7.2118 116.4082 55.1303 40.6537 174.2195 543 S 4.7243 8.2403 114.2087 57.1859 67.8370 175.8808 *557 K 4.2557 8.6524 121.0723 56.4248 32.3863 179.2652 558 S 4.6285 9.2446 117.6148 58.3693 63.9548 172.7331 559 S 4.5408 8.4222 118.1297 58.8196 63.3266 174.0524 560 F 5.3291 7.5384 119.4848 54.7667 41.1703 174.6614 561 P 4.5049 0.0000 0.0000 64.1481 31.0471 178.0503 562 F 4.1888 8.2224 121.5602 61.9791 39.2881 177.0195 563 L 3.5999 8.5938 118.7481 57.6661 41.1639 179.2502 564 D 4.4284 8.1362 118.3216 56.7599 40.7597 178.1055 565 L 3.9009 7.4967 119.0507 56.6824 42.0193 178.6514 566 C 3.8614 7.4838 116.5803 62.3944 27.8795 175.8796 567 A 3.8559 7.7660 122.4135 55.2887 17.9676 179.2228 568 M 3.9041 7.4547 116.4902 58.6913 32.3268 177.9069 569 L 4.1487 8.2867 120.6848 58.4997 42.3308 179.0244 570 V 3.3140 8.0040 118.3059 66.2653 31.0849 177.6441 571 C 4.0322 7.6635 115.2646 62.6545 28.1519 176.1671 572 K 4.1650 7.9571 119.8872 59.5078 31.5330 179.0802 573 L 4.0753 8.0050 118.2204 58.3741 41.7507 179.6078 574 F 4.6058 8.3459 115.6928 59.1830 38.9233 176.9748 575 S 4.7587 7.5754 111.5236 57.8558 63.2519 173.9263 576 A 4.1828 8.0321 130.4983 52.9616 18.1710 177.8702 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 451 K 8.31 4.24 0.00 1.60 1.66 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.33 7.81 452 W 7.93 4.15 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 H 9.13 4.97 0.00 3.30 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 F 9.05 4.14 0.00 3.17 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 0.00 455 G 8.46 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.60 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 0.90 0.00 0.00 1.18 0.00 0.00 457 R 8.87 4.74 0.00 1.78 1.94 0.00 3.12 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 458 C 9.42 4.88 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 459 R 9.52 5.13 0.00 1.70 1.94 0.00 3.19 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 460 G 8.15 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 0.00 461 D 8.55 4.78 0.00 2.78 2.54 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 0.00 462 A 8.04 3.27 1.21 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 0.00 0.00 463 P 0.00 4.93 0.00 2.24 2.34 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 464 E 8.20 4.07 0.00 2.29 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 2.30 2.32 0.00 465 I 7.59 3.79 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.64 0.95 0.00 0.00 466 L 7.63 3.74 0.00 2.05 1.80 0.96 0.19 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 0.00 467 L 7.94 4.05 0.00 1.83 1.90 0.90 1.65 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 0.00 468 A 8.07 3.99 1.45 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 0.00 0.00 0.00 469 V 8.75 3.49 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 1.00 0.00 0.00 470 Y 7.94 3.52 0.00 3.10 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 0.00 471 R 8.38 3.94 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 472 A 8.24 4.04 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 0.00 473 L 7.25 3.76 0.00 1.50 1.69 0.77 0.95 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 0.00 474 Q 7.94 4.31 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 475 R 7.56 3.93 0.00 2.02 2.01 0.00 3.24 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 476 A 7.45 4.20 1.19 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 0.00 0.00 477 G 8.14 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 0.00 478 A 7.11 3.71 -0.40 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 0.00 479 Q 8.57 3.97 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 480 F 7.57 5.54 0.00 3.01 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 0.00 481 T 8.63 4.60 4.31 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 1.31 0.00 0.00 482 V 8.05 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.05 0.00 0.00 483 P 0.00 4.08 0.00 1.99 1.91 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 484 K 8.34 4.31 0.00 1.67 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 485 P 0.00 4.30 0.00 2.20 2.02 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 486 V 8.10 3.85 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 0.71 0.00 0.00 0.93 0.00 0.00 487 N 7.76 4.08 0.00 2.87 2.96 0.00 0.00 7.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *492 S 7.74 4.57 0.00 4.00 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 0.00 493 D 8.01 4.66 0.00 2.92 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 0.00 494 M 7.87 4.19 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.27 0.00 495 Y 7.62 4.42 0.00 3.09 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 0.00 496 T 8.15 4.76 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 1.24 0.00 0.00 497 I 8.71 4.47 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.86 0.77 0.00 0.00 498 K 8.93 4.83 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 499 S 9.27 5.08 0.00 4.00 4.15 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 0.00 0.00 0.00 0.00 500 R 8.92 4.87 0.00 1.93 1.73 0.00 2.51 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.00 501 W 9.24 5.09 0.00 3.29 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 0.00 502 E 8.87 4.67 0.00 2.11 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 0.00 2.19 2.25 0.00 503 I 8.16 4.00 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.84 0.00 0.00 504 P 0.00 4.24 0.00 2.20 2.13 0.00 3.62 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 505 H 8.16 4.73 0.00 3.20 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 C 8.21 4.48 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 K 8.04 3.81 0.00 1.76 1.80 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 508 R 7.64 3.99 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 509 E 7.48 4.22 0.00 2.20 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 2.40 0.00 510 G 8.15 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.00 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.55 7.81 512 N 7.96 4.37 0.00 2.62 2.45 0.00 0.00 6.33 6.93 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 0.00 513 T 7.09 4.67 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 1.16 0.00 0.00 514 Y 8.96 4.88 0.00 2.66 2.53 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 0.00 515 A 9.13 5.21 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 0.00 516 Y 8.93 5.19 0.00 3.08 2.89 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 0.00 517 I 9.00 5.16 2.21 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 1.19 0.00 0.00 518 E 8.90 4.66 0.00 2.23 1.86 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 2.41 2.38 0.00 519 L 9.67 5.36 0.00 1.45 1.54 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 520 Q 9.25 4.93 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 1.69 1.26 0.00 521 L 8.08 5.16 0.00 1.65 1.39 0.97 0.67 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 0.00 522 Y 8.61 5.06 0.00 3.00 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 0.00 523 E 9.20 4.39 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.78 0.00 524 V 8.29 4.12 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 0.84 0.00 0.00 0.97 0.00 0.00 525 M 7.20 4.46 0.00 2.11 2.04 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 2.45 2.39 0.00 526 P 0.00 4.31 0.00 2.15 2.13 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 527 G 8.97 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 0.00 0.00 0.00 528 C 7.75 4.93 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 F 9.56 5.38 0.00 3.11 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 0.00 530 M 9.08 5.07 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 531 L 9.40 4.75 0.00 1.85 1.76 0.99 1.23 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 0.00 532 D 9.13 4.87 0.00 3.07 2.61 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 0.00 533 V 8.48 4.85 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 534 K 8.97 4.61 0.00 1.92 1.66 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.29 7.81 535 S 7.87 4.52 0.00 2.72 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 0.00 536 N 8.98 4.77 0.00 2.74 2.74 0.00 0.00 7.06 7.65 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 0.00 537 G 7.90 3.45 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 0.00 0.00 0.00 0.00 538 Y 7.54 5.46 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.30 4.60 0.00 2.07 2.06 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.51 7.81 540 D 8.84 4.92 0.00 2.84 2.88 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 0.00 541 I 7.29 3.95 1.60 0.00 0.00 0.78 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 0.88 -0.38 0.00 0.00 542 Y 7.21 5.02 0.00 2.97 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 0.00 543 S 8.24 4.72 0.00 4.00 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 *557 K 8.65 4.26 0.00 1.82 1.43 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 558 S 9.24 4.63 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 S 8.42 4.54 0.00 3.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.54 5.33 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 P 0.00 4.50 0.00 2.18 2.23 0.00 2.44 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 562 F 8.22 4.19 0.00 3.34 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 0.00 563 L 8.59 3.60 0.00 1.35 1.60 0.70 0.94 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 0.00 564 D 8.14 4.43 0.00 2.87 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 0.00 565 L 7.50 3.90 0.00 1.47 0.60 0.91 0.48 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 0.00 566 C 7.48 3.86 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 A 7.77 3.86 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 0.00 568 M 7.45 3.90 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 569 L 8.29 4.15 0.00 1.98 1.83 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 570 V 8.00 3.31 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 0.11 0.00 0.00 0.77 0.00 0.00 571 C 7.66 4.03 0.00 3.18 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 0.00 572 K 7.96 4.17 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.68 7.81 573 L 8.01 4.08 0.00 1.89 1.99 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 574 F 8.35 4.61 0.00 3.00 3.09 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 0.00 0.00 0.00 575 S 7.58 4.76 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 A 8.03 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 * Residues marked with a * may have inaccurate shift predictions.