NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 450 P 4.5278 0.0000 0.0000 62.5275 31.5801 174.5438 451 G 3.8174 8.2773 108.9777 47.4700 0.0000 170.8420 452 K 5.3182 8.2427 118.1745 55.5149 37.2266 173.2788 453 A 5.2299 8.8808 123.3335 50.5018 22.1709 175.2346 454 T 4.6903 9.5057 111.9497 59.9598 72.7275 172.4320 455 G 4.2135 8.7317 107.1767 43.5578 0.0000 174.4694 456 K 4.0364 9.5988 121.2394 56.5717 32.7381 178.9251 457 G 4.0410 7.6350 106.6887 45.5253 0.0000 172.1818 458 K 4.7034 8.3164 116.3027 54.1486 36.3526 173.9337 459 P 4.9862 0.0000 0.0000 62.0636 32.3793 176.3107 460 V 4.5485 7.7558 112.9569 59.5094 35.5147 175.5531 461 N 4.7565 8.5121 120.2522 52.1527 38.9377 174.9208 462 N 4.9424 8.5600 113.8290 52.9581 37.7981 175.2788 463 K 4.6978 7.3588 116.2048 57.9220 33.0444 178.3773 464 W 4.4589 8.1761 129.3488 60.9689 31.6655 176.7121 465 L 3.7595 7.5406 115.6989 55.1773 40.9511 178.5329 466 N 4.4038 7.9209 117.8798 56.0802 38.7165 176.2348 467 N 4.5834 7.7405 115.5812 54.4705 38.8065 176.0599 468 A 4.5199 7.9301 122.2648 52.6502 18.3928 178.2783 469 G 4.0513 7.8118 105.1807 44.7368 0.0000 173.0747 470 K 4.7106 7.7055 118.3123 54.9856 36.6669 178.6738 471 D 4.1518 8.0980 119.7253 55.8917 40.5125 175.3747 472 L 4.4494 8.7154 128.0100 55.4925 42.7935 176.9519 473 G 4.0647 7.9123 106.5760 45.1963 0.0000 175.1874 474 S 4.9876 9.5548 121.7902 55.5985 64.8389 171.7626 475 P 4.8435 0.0000 0.0000 62.4396 32.4557 176.0555 476 V 4.0736 8.3918 120.5316 62.1862 32.7211 173.7428 477 P 4.5843 0.0000 0.0000 62.3871 31.9713 177.1631 478 D 4.7467 8.9173 124.3061 56.2064 39.2008 179.3136 479 R 3.8546 7.8113 119.0130 59.0814 29.8446 178.9225 480 I 3.6279 7.5189 118.1254 64.4634 37.5089 177.2900 481 A 3.9809 8.1801 120.6149 55.7428 17.8263 179.4561 482 N 4.0813 8.5007 114.6934 56.3875 39.1371 177.6590 483 K 4.1487 8.1073 119.3808 58.6920 31.8598 178.9832 484 L 4.5107 8.3315 119.5279 56.0941 42.1453 178.2583 485 R 4.5885 7.9208 111.4355 56.9105 29.5398 176.1237 486 D 4.9227 7.6504 117.6467 54.4753 41.0900 177.1372 487 K 4.0987 7.6641 120.3504 55.8804 34.2791 173.0974 488 E 3.9218 8.0008 125.2958 55.7422 29.3167 173.4883 489 F 5.3152 9.0681 121.1914 55.8782 43.0124 175.4235 490 K 4.6449 8.5070 119.4119 56.4234 34.0583 176.7409 491 S 4.7400 7.6216 112.2985 56.4707 66.5699 175.7174 492 F 3.7737 8.6307 122.8174 60.3948 39.0030 176.2037 493 D 4.3091 8.0473 117.5284 57.4427 41.2246 177.3856 494 D 4.3964 8.2803 118.6910 57.0561 41.2089 177.6904 495 F 3.7955 8.3763 121.6669 61.2391 39.0955 177.2608 496 R 3.2919 7.4480 117.3892 59.9860 29.8641 177.8631 497 K 4.1039 7.9734 117.4977 60.2117 31.9631 178.6785 498 K 4.0251 8.4105 118.5782 59.6838 32.0343 179.3789 499 F 3.7418 7.4939 120.3478 60.5444 39.3878 177.1219 500 W 4.1932 7.7904 118.1660 59.9654 28.6454 178.4486 501 E 4.0215 8.3210 118.8592 59.8149 28.8334 179.8204 502 E 3.9337 8.3136 118.5052 59.1057 29.4003 179.5436 503 V 3.3670 7.5138 118.7834 65.5474 31.3138 177.7921 504 S 4.3227 7.5151 111.2763 59.7614 63.3859 174.9877 505 K 4.0947 7.5273 119.0131 56.9046 32.3365 175.9027 506 D 4.7089 7.7316 120.4378 52.3270 41.6552 175.3364 507 P 4.1051 0.0000 0.0000 65.7985 31.6970 177.5658 508 E 4.2651 8.7026 117.0099 56.7377 30.2571 177.0464 509 L 4.5342 8.5621 119.3610 56.2610 43.2829 179.0526 510 S 4.3045 8.1038 113.2498 60.9455 63.2217 176.1240 511 K 3.8991 7.6184 119.4875 59.4790 32.0011 177.2446 512 Q 4.3362 8.2053 116.4787 55.8078 29.0315 175.3214 513 F 4.9039 7.8696 116.8929 54.8281 42.0438 175.7879 514 S 4.4473 8.5416 118.9965 58.3180 64.7768 175.6621 515 R 3.9444 8.4568 118.7464 59.3617 29.0051 178.5251 516 N 4.3755 8.0690 116.1306 55.8403 38.9563 176.7280 517 N 4.4507 8.2362 118.1955 56.4505 38.7224 177.1828 518 N 4.2657 8.4804 118.0140 56.2537 38.3016 176.9555 519 D 4.3399 8.3972 119.9143 57.0985 41.1657 178.5924 520 R 3.8670 7.9761 118.6923 59.4139 30.1228 178.3909 521 M 4.4077 8.1549 119.2539 58.5895 31.7431 179.4238 522 K 4.4600 7.3023 117.8504 58.9069 32.8372 177.4332 523 V 4.2861 7.0213 109.7374 61.0486 31.8190 176.9996 524 G 4.0511 9.1146 111.5444 44.9580 0.0000 174.3963 525 K 4.4525 8.0824 119.1530 55.5161 34.0366 175.7198 526 A 3.3377 8.0234 123.6994 49.5601 20.1877 175.6943 527 P 4.2314 0.0000 0.0000 62.5342 32.6537 175.8570 528 K 4.5730 8.6894 122.1247 56.8285 32.5139 177.0643 529 T 3.9678 8.1708 115.3490 60.4941 70.2597 174.7835 530 R 3.9689 8.5317 120.8946 56.7955 30.9594 177.9249 531 T 3.8162 8.5679 115.2890 64.9773 67.6574 175.9566 532 Q 3.9344 8.1344 118.5027 58.9944 28.1421 177.4378 533 D 4.6786 7.9107 115.6301 53.6409 41.3348 176.4933 534 V 3.9852 7.2834 119.5466 62.6743 32.3035 175.7410 535 S 4.3353 8.5336 119.0156 57.2021 64.9606 173.4981 536 G 3.7818 8.6225 119.4167 46.6548 0.0000 174.6023 537 K 4.2248 8.6173 119.0366 56.7524 31.7473 177.4697 538 R 4.4643 8.0423 119.9505 54.8516 31.0198 176.2240 539 T 4.5165 8.2790 111.5527 60.6725 70.0956 173.5810 540 S 5.0411 7.4938 115.9390 56.1969 65.9195 173.9767 541 F 4.4159 8.9527 120.2427 57.9210 39.6132 174.6854 542 E 4.9918 9.5240 120.1869 54.7148 33.8473 174.8686 543 L 5.0587 8.6630 122.5095 53.7999 43.0983 175.6087 544 H 4.6849 9.1328 125.5220 55.2369 31.4000 174.0847 545 A 4.7400 8.4384 129.0315 50.3596 19.3097 176.6069 546 E 4.2208 8.7788 121.6102 57.9165 30.0944 177.1504 547 K 4.1317 7.5095 121.9297 58.0739 34.0006 177.3414 *555 V 4.0060 7.9883 116.6039 60.5447 33.4630 175.7917 556 Y 4.3742 7.2565 120.2562 56.5334 36.6996 173.5515 557 D 4.9313 8.1309 124.1883 53.6782 40.0560 176.6794 558 M 4.3150 9.5448 126.7588 56.9630 32.0090 177.3585 559 D 4.7339 8.4775 118.3041 55.1802 41.7203 176.2250 560 N 5.1935 8.6099 118.0588 53.1072 40.0799 173.7260 561 I 5.1501 8.1097 118.7560 59.5940 40.2898 175.1726 562 S 5.0565 9.1226 120.4865 56.6464 67.1927 172.3843 563 V 5.0212 9.0533 119.4895 61.4672 33.7900 174.8301 564 V 5.2568 9.2002 119.7192 59.7543 36.6012 174.6589 565 T 4.0891 9.1462 114.3049 61.1695 69.6147 173.5821 566 P 4.4073 0.0000 0.0000 65.9329 31.4004 179.2164 567 K 4.0230 7.5978 117.4259 59.2004 32.0145 179.4275 568 R 3.8785 8.1080 119.0469 59.6971 30.1574 177.7884 569 H 4.2004 8.7100 118.4795 59.5027 29.7104 177.0215 570 I 3.6785 7.6547 120.7834 64.6016 36.9457 177.9405 571 D 4.3743 7.9186 119.0123 57.6238 40.7077 179.1111 572 I 3.6754 7.6758 120.0037 64.8538 36.8908 178.2819 573 H 4.3556 8.0303 115.4129 57.5671 28.5201 176.7655 574 R 4.6252 7.7244 117.0249 55.9376 30.5643 177.4280 575 G 3.9074 7.7365 106.0143 46.4202 0.0000 174.6735 576 K 4.1642 8.2255 124.6036 56.3696 32.2089 176.2273 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 450 P 0.00 4.53 0.00 2.10 2.19 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 451 G 8.28 3.82 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 0.00 0.00 0.00 452 K 8.24 5.32 0.00 1.63 1.71 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.38 7.81 453 A 8.88 5.23 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 0.00 454 T 9.51 4.69 4.25 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 1.21 0.00 0.00 455 G 8.73 4.21 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 0.00 456 K 9.60 4.04 0.00 1.82 1.87 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 457 G 7.63 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 K 8.32 4.70 0.00 1.79 1.68 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 459 P 0.00 4.99 0.00 2.03 1.95 0.00 3.63 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 2.00 2.21 0.00 460 V 7.76 4.55 2.16 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 0.74 0.00 0.00 0.66 0.00 0.00 461 N 8.51 4.76 0.00 2.93 3.02 0.00 0.00 5.81 6.96 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 0.00 462 N 8.56 4.94 0.00 2.86 2.95 0.00 0.00 5.72 7.13 0.00 0.00 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 K 7.36 4.70 0.00 1.85 1.76 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.32 7.81 464 W 8.18 4.46 0.00 3.48 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 0.00 465 L 7.54 3.76 0.00 1.18 0.96 -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 466 N 7.92 4.40 0.00 2.80 2.88 0.00 0.00 6.95 8.03 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 0.00 467 N 7.74 4.58 0.00 3.09 2.85 0.00 0.00 6.76 7.62 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 0.00 468 A 7.93 4.52 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 0.00 469 G 7.81 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 0.00 470 K 7.71 4.71 0.00 1.89 1.89 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.64 7.81 471 D 8.10 4.15 0.00 2.77 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 0.00 0.00 0.00 0.00 472 L 8.72 4.45 0.00 1.66 1.75 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 473 G 7.91 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 S 9.55 4.99 0.00 3.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 P 0.00 4.84 0.00 2.19 2.17 0.00 4.00 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 2.19 2.08 0.00 476 V 8.39 4.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.04 0.00 0.00 477 P 0.00 4.58 0.00 1.85 1.45 0.00 3.55 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.00 478 D 8.92 4.75 0.00 2.88 3.01 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 0.00 0.00 0.00 0.00 479 R 7.81 3.85 0.00 1.86 1.94 0.00 3.22 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 480 I 7.52 3.63 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.23 0.59 0.00 0.00 481 A 8.18 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 N 8.50 4.08 0.00 2.95 2.90 0.00 0.00 7.23 8.20 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 0.00 483 K 8.11 4.15 0.00 1.93 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.77 7.81 484 L 8.33 4.51 0.00 2.03 2.01 0.94 0.96 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 0.00 485 R 7.92 4.59 0.00 2.06 2.20 0.00 2.66 0.00 0.00 3.93 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 486 D 7.65 4.92 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 0.00 487 K 7.66 4.10 0.00 1.80 1.34 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.72 7.81 488 E 8.00 3.92 0.00 1.88 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 2.10 2.21 0.00 489 F 9.07 5.32 0.00 3.49 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 490 K 8.51 4.64 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.51 7.81 491 S 7.62 4.74 0.00 4.13 4.03 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 0.00 492 F 8.63 3.77 0.00 2.99 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 0.00 493 D 8.05 4.31 0.00 2.82 2.68 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 0.00 0.00 0.00 0.00 494 D 8.28 4.40 0.00 2.94 3.10 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 0.00 495 F 8.38 3.80 0.00 2.24 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 0.00 496 R 7.45 3.29 0.00 1.67 1.98 0.00 3.69 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 497 K 7.97 4.10 0.00 2.05 1.82 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.66 7.81 498 K 8.41 4.03 0.00 1.87 1.97 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.68 1.96 7.81 499 F 7.49 3.74 0.00 1.93 2.43 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 0.00 500 W 7.79 4.19 0.00 3.54 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 E 8.32 4.02 0.00 2.12 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 2.38 2.69 0.00 502 E 8.31 3.93 0.00 1.92 1.82 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 2.42 2.40 0.00 503 V 7.51 3.37 2.16 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 1.21 0.00 0.00 0.03 0.00 0.00 504 S 7.52 4.32 0.00 3.99 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 0.00 505 K 7.53 4.09 0.00 1.69 1.86 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.50 7.81 506 D 7.73 4.71 0.00 2.54 2.42 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 0.00 507 P 0.00 4.11 0.00 2.25 2.27 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 508 E 8.70 4.27 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 2.27 2.39 0.00 509 L 8.56 4.53 0.00 1.72 1.69 0.54 0.43 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 0.00 510 S 8.10 4.30 0.00 4.05 4.17 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 0.00 511 K 7.62 3.90 0.00 1.90 2.12 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.48 7.81 512 Q 8.21 4.34 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 513 F 7.87 4.90 0.00 3.05 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 0.00 514 S 8.54 4.45 0.00 4.09 4.07 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 0.00 515 R 8.46 3.94 0.00 2.12 2.26 0.00 3.01 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 516 N 8.07 4.38 0.00 2.73 2.92 0.00 0.00 6.94 8.00 0.00 0.00 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 N 8.24 4.45 0.00 2.91 2.84 0.00 0.00 6.92 7.07 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 0.00 518 N 8.48 4.27 0.00 2.76 2.86 0.00 0.00 6.70 8.92 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 0.00 519 D 8.40 4.34 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 R 7.98 3.87 0.00 1.91 1.84 0.00 3.15 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 521 M 8.15 4.41 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.26 0.00 522 K 7.30 4.46 0.00 2.04 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 523 V 7.02 4.29 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 0.74 0.00 0.00 0.97 0.00 0.00 524 G 9.11 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 0.00 525 K 8.08 4.45 0.00 1.74 1.64 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 526 A 8.02 3.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 P 0.00 4.23 0.00 2.33 1.75 0.00 2.20 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.28 0.00 528 K 8.69 4.57 0.00 1.74 1.76 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.63 7.81 529 T 8.17 3.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 530 R 8.53 3.97 0.00 2.02 1.90 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 531 T 8.57 3.82 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 1.19 0.00 0.00 532 Q 8.13 3.93 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 533 D 7.91 4.68 0.00 2.70 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 0.00 534 V 7.28 3.99 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.84 0.00 0.00 535 S 8.53 4.34 0.00 3.81 3.63 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 0.00 0.00 0.00 0.00 536 G 8.62 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 0.00 537 K 8.62 4.22 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 538 R 8.04 4.46 0.00 2.04 1.91 0.00 3.06 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 539 T 8.28 4.52 4.16 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 1.16 0.00 0.00 540 S 7.49 5.04 0.00 3.99 3.75 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 0.00 541 F 8.95 4.42 0.00 2.78 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 0.00 542 E 9.52 4.99 0.00 2.11 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 2.32 2.50 0.00 543 L 8.66 5.06 0.00 1.64 1.68 0.39 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 544 H 9.13 4.68 0.00 3.19 3.22 0.00 5.76 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 0.00 545 A 8.44 4.74 1.02 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 0.00 546 E 8.78 4.22 0.00 1.96 1.94 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 2.33 2.30 0.00 547 K 7.51 4.13 0.00 1.85 1.64 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.31 7.81 *555 V 7.99 4.01 1.73 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 0.54 0.00 0.00 0.64 0.00 0.00 556 Y 7.26 4.37 0.00 2.39 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 0.00 0.00 0.00 0.00 557 D 8.13 4.93 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 M 9.54 4.31 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.73 0.00 559 D 8.48 4.73 0.00 2.88 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 0.00 560 N 8.61 5.19 0.00 2.60 2.72 0.00 0.00 6.64 7.51 0.00 0.00 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 I 8.11 5.15 1.90 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 1.44 0.77 0.89 0.00 0.00 562 S 9.12 5.06 0.00 4.03 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 0.00 563 V 9.05 5.02 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 1.13 0.00 0.00 1.15 0.00 0.00 564 V 9.20 5.26 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 0.69 0.00 0.00 0.92 0.00 0.00 565 T 9.15 4.09 4.16 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 1.29 0.00 0.00 566 P 0.00 4.41 0.00 2.13 2.14 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 567 K 7.60 4.02 0.00 1.79 1.84 0.00 1.75 0.00 0.00 1.44 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 568 R 8.11 3.88 0.00 1.95 2.07 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 569 H 8.71 4.20 0.00 3.36 3.33 0.00 5.67 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 0.00 570 I 7.65 3.68 2.05 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 1.77 0.66 0.91 0.00 0.00 571 D 7.92 4.37 0.00 2.90 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 0.00 572 I 7.68 3.68 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.72 0.00 0.00 573 H 8.03 4.36 0.00 3.24 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 R 7.72 4.63 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 575 G 7.74 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 0.00 0.00 0.00 576 K 8.23 4.16 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.