NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 450 P 4.7562 0.0000 0.0000 60.8294 33.5914 174.8926 451 G 3.6853 8.1762 107.3439 45.8035 0.0000 170.9626 452 K 5.3529 8.3249 124.5080 54.7314 37.9781 173.2202 453 A 5.3585 9.0284 123.7956 50.5142 21.4805 175.7384 454 T 4.6655 8.9322 110.6353 60.0644 72.8436 172.3886 455 G 4.4736 8.6131 107.2437 43.9162 0.0000 174.1402 456 K 4.1198 9.4444 120.7014 56.7806 33.1606 178.6063 457 G 4.1657 8.1382 105.1985 44.8641 0.0000 172.4651 458 K 4.7107 8.3657 116.8887 53.8785 36.3941 173.9514 459 P 4.6892 0.0000 0.0000 62.8265 32.0325 176.0274 460 V 4.6527 7.9153 113.2842 59.7463 36.0993 175.1981 461 N 4.9507 8.4981 119.5967 52.4384 38.7471 175.2206 462 N 4.9593 8.7891 118.0488 53.0395 38.1875 174.6613 463 K 4.7081 7.2632 118.2060 58.2390 33.0343 178.6326 464 W 4.5630 8.2207 129.1394 60.7012 31.6274 176.2050 465 L 4.2395 7.5896 115.5454 53.9664 41.1747 178.7102 466 N 4.3921 8.3660 120.0821 56.4640 38.7889 176.1171 467 N 4.5480 8.1029 112.9745 54.1322 39.0834 176.0660 468 A 4.2344 7.8938 121.7329 53.5269 18.6018 179.4559 469 G 3.8786 7.9477 104.1643 46.1311 0.0000 174.1718 470 K 4.6727 7.4712 118.2411 55.9961 36.4990 176.4822 471 D 4.3121 8.2581 119.7992 56.3259 38.7656 174.9005 472 L 4.4743 8.5472 128.2144 55.4730 42.6393 176.0359 473 G 4.1080 7.5728 103.8496 44.3344 0.0000 174.8442 474 S 4.9098 8.9921 119.6176 55.9156 65.8527 171.8684 475 P 4.6803 0.0000 0.0000 61.8173 32.7194 176.1945 476 V 4.0515 8.3990 121.6185 62.6745 32.6332 173.8283 477 P 4.8451 0.0000 0.0000 61.9908 32.3291 176.8170 478 D 4.8322 8.9928 124.8395 56.4795 38.7957 179.4858 479 R 3.8544 7.9791 119.1300 58.5252 29.9453 178.9116 480 I 3.5597 7.5387 119.0515 63.7520 37.3491 177.8191 481 A 4.0410 8.1201 121.5984 55.6788 18.0519 179.4770 482 N 4.1093 8.0912 114.0032 56.6084 38.6493 177.3050 483 K 4.1640 7.5717 119.3879 59.3894 32.2387 179.6119 484 L 4.2386 8.1952 119.4238 57.5676 41.7397 179.1083 485 R 4.3987 8.1172 113.6020 58.0021 29.5985 176.7313 486 D 4.6814 7.8044 118.0004 54.3565 40.8072 175.8395 487 K 4.4817 7.8041 119.1792 54.3165 34.7015 175.0551 488 E 4.6200 7.9268 117.0342 54.4751 32.2090 174.9778 489 F 5.2783 8.6639 118.1432 54.9707 42.3869 175.5018 490 K 4.7317 8.4918 117.3171 56.2493 33.9198 175.9966 491 S 4.7391 7.5903 113.4693 56.6991 66.5417 176.4538 492 F 3.5369 8.4263 122.4549 60.5487 38.8859 176.5934 493 D 4.2467 8.0696 117.7017 57.6205 41.3424 177.0729 494 D 4.4277 8.2547 118.1012 57.5439 41.0835 178.0088 495 F 3.8274 8.2327 121.0033 61.0419 39.2495 177.0141 496 R 3.3664 7.6052 118.2806 59.1714 29.9621 178.6945 497 K 4.3329 7.9128 119.4697 59.1092 32.2623 179.5946 498 K 4.0129 7.9863 118.4910 59.1169 31.7558 179.1377 499 F 3.6947 7.8114 121.0453 60.9052 39.1989 177.1396 500 W 4.3667 8.1460 118.3016 60.5269 28.6853 178.5820 501 E 3.8445 7.7925 116.4030 59.5568 29.2688 179.3799 502 E 3.9976 8.0404 118.2288 59.3074 29.0600 179.5944 503 V 3.3603 7.2731 118.3900 65.9299 31.3234 178.2380 504 S 4.1575 7.8078 112.6459 60.4302 62.9190 175.5260 505 K 4.4693 7.4589 119.7002 55.2361 32.8334 175.6138 506 D 4.5248 7.5064 120.3230 53.0007 41.7882 175.1114 507 P 4.1501 0.0000 0.0000 65.3909 31.5397 177.4085 508 E 4.5147 9.4690 115.8321 56.3832 30.7456 176.6758 509 L 4.4918 7.9854 118.7048 56.5682 42.8914 178.5713 510 S 4.3062 8.2060 113.6254 61.4295 62.6709 176.7340 511 K 4.0238 7.6089 117.8697 58.8871 32.1954 177.4080 512 Q 4.2394 8.2890 117.6448 56.0344 29.4673 175.3817 513 F 4.8749 7.6512 117.1221 55.2127 40.7858 176.4474 514 S 4.2840 8.6961 120.0035 58.6511 64.4545 175.2136 515 R 3.8919 8.6907 123.0075 60.3198 29.6120 178.5647 516 N 4.3474 8.1925 115.2025 56.3428 38.4737 177.1159 517 N 4.3565 8.2799 118.0648 56.3507 38.6941 177.1676 518 N 4.3093 8.5516 118.2402 56.2232 38.3365 176.8491 519 D 4.3334 8.0547 118.8454 57.3214 41.5714 178.3558 520 R 4.0109 7.6627 118.4622 59.7242 30.0684 179.1028 521 M 4.5649 7.7719 119.2032 57.5234 31.6138 179.0022 522 K 4.0777 8.0295 118.2551 58.4339 32.1494 178.1111 523 V 4.1850 7.7319 110.5029 61.0486 31.5058 176.5511 524 G 4.0317 8.1387 108.3673 45.3390 0.0000 173.5382 525 K 4.4041 7.6195 118.6533 54.3937 33.5297 176.0519 526 A 2.5800 8.0900 125.9747 50.3717 19.1136 175.4367 527 P 4.5173 0.0000 0.0000 62.3369 31.9719 175.5933 528 K 4.2839 8.9938 122.8131 57.3911 32.4112 176.8294 529 T 3.9959 8.2224 115.1810 60.7606 68.8498 174.3676 530 R 4.1029 8.5249 121.1189 56.4173 30.8668 178.2090 531 T 4.1008 8.3456 109.1539 64.3413 69.0625 176.5743 532 Q 4.0672 7.9255 119.2808 58.3710 29.1737 176.0218 533 D 4.6814 7.3556 117.5964 54.1425 40.7232 176.3071 534 V 3.8830 7.2258 119.3837 62.1998 32.4875 175.5640 535 S 4.4944 8.5350 120.0357 57.4340 65.7738 173.4938 536 G 3.6890 8.4719 117.5064 47.2866 0.0000 173.4564 537 K 4.3034 8.6859 122.1067 56.3999 32.0320 176.5254 538 R 4.5206 8.0540 119.7239 54.9141 31.4121 176.2415 539 T 4.4784 8.4093 112.3018 60.6802 70.5231 173.3992 540 S 5.1152 7.5504 115.5479 55.8822 66.1425 173.8490 541 F 4.4007 8.7177 119.6385 57.9914 39.4293 174.7959 542 E 4.9605 9.7104 121.9144 54.5871 32.6234 175.0617 543 L 4.8861 8.7010 123.4527 54.4407 42.9803 175.4702 544 H 4.9281 9.4925 123.9409 54.2140 32.5777 172.3234 545 A 4.9269 8.1729 127.2267 50.2756 19.8260 176.3639 546 E 3.7563 8.9354 124.3400 58.2749 29.6244 176.8801 547 K 4.3276 7.9172 116.5917 58.1150 38.3067 175.4457 *555 V 2.5446 7.5480 118.5285 61.6956 33.0271 174.5906 556 Y 4.5756 8.2209 126.6101 56.0094 39.6460 174.3266 557 D 4.7970 8.4409 124.8853 54.0989 41.6791 176.4604 558 M 4.3573 9.1827 126.6428 56.8692 32.1923 177.2949 559 D 4.6973 8.3541 118.0019 55.1979 41.6382 176.4725 560 N 5.1157 8.2186 117.2812 52.9408 39.9178 173.9252 561 I 5.2208 7.8576 118.4650 59.8206 40.6807 174.7910 562 S 4.7927 9.0139 119.0540 57.4811 67.5437 172.3588 563 V 4.9388 8.9074 119.9493 61.3316 33.3928 174.7670 564 V 5.2413 9.1550 121.3814 59.2492 35.7057 175.7919 565 T 4.0851 8.5170 113.5911 61.2844 69.3440 173.5132 566 P 4.3334 0.0000 0.0000 65.7935 31.2035 178.9049 567 K 4.0802 7.9479 115.8954 58.1699 32.1750 178.8574 568 R 4.0546 7.5924 119.5421 58.7645 30.2908 177.3454 569 H 4.2191 8.6442 118.5489 59.6352 28.7557 176.6513 570 I 3.6413 7.8979 121.3794 64.9380 36.9110 177.9912 571 D 4.4151 7.9598 118.9168 57.6674 40.7230 178.4738 572 I 3.6498 7.7172 119.8768 65.3510 36.9031 177.1114 573 H 4.7870 7.9695 113.3212 55.9884 28.4772 175.7609 574 R 4.5669 6.9575 117.3180 55.7778 29.8323 175.8984 575 G 3.9404 8.0753 103.8113 46.9334 0.0000 174.8062 576 K 4.1693 8.2290 124.5214 56.2722 32.4707 175.9628 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 4.76 0.00 2.08 2.18 0.00 3.87 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 451 G 8.18 3.69 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 0.00 0.00 0.00 452 K 8.32 5.35 0.00 1.61 1.67 0.00 1.74 0.00 0.00 2.14 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 453 A 9.03 5.36 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 0.00 454 T 8.93 4.67 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 1.20 0.00 0.00 455 G 8.61 4.47 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 0.00 456 K 9.44 4.12 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 457 G 8.14 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 0.00 0.00 0.00 458 K 8.37 4.71 0.00 1.83 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 459 P 0.00 4.69 0.00 2.18 2.05 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 460 V 7.92 4.65 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 0.87 0.00 0.00 0.78 0.00 0.00 461 N 8.50 4.95 0.00 2.85 2.85 0.00 0.00 5.91 8.04 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 0.00 462 N 8.79 4.96 0.00 2.83 2.93 0.00 0.00 5.65 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 7.26 4.71 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.38 7.81 464 W 8.22 4.56 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.24 0.00 1.42 1.22 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 466 N 8.37 4.39 0.00 2.88 2.88 0.00 0.00 6.90 7.55 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 0.00 467 N 8.10 4.55 0.00 2.83 3.03 0.00 0.00 7.05 8.12 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 0.00 468 A 7.89 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 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 0.00 0.00 0.00 470 K 7.47 4.67 0.00 1.93 1.87 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.56 7.81 471 D 8.26 4.31 0.00 2.86 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 0.00 0.00 0.00 472 L 8.55 4.47 0.00 1.65 1.71 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 473 G 7.57 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 0.00 0.00 0.00 0.00 474 S 8.99 4.91 0.00 3.40 3.53 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 0.00 475 P 0.00 4.68 0.00 2.10 2.08 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 476 V 8.40 4.05 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 1.21 0.00 0.00 1.13 0.00 0.00 477 P 0.00 4.85 0.00 1.92 1.60 0.00 3.58 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.00 478 D 8.99 4.83 0.00 2.89 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 0.00 479 R 7.98 3.85 0.00 1.77 1.96 0.00 3.06 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 480 I 7.54 3.56 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.63 0.00 0.00 481 A 8.12 4.04 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 0.00 482 N 8.09 4.11 0.00 2.84 2.90 0.00 0.00 7.17 7.76 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 0.00 483 K 7.57 4.16 0.00 1.73 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.69 7.81 484 L 8.20 4.24 0.00 1.88 2.02 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 485 R 8.12 4.40 0.00 2.10 2.21 0.00 3.09 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 486 D 7.80 4.68 0.00 2.69 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 0.00 487 K 7.80 4.48 0.00 1.52 1.26 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.55 7.81 488 E 7.93 4.62 0.00 1.94 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 2.06 2.12 0.00 489 F 8.66 5.28 0.00 3.37 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 0.00 490 K 8.49 4.73 0.00 1.79 1.87 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.50 7.81 491 S 7.59 4.74 0.00 4.01 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 0.00 492 F 8.43 3.54 0.00 2.94 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 0.00 493 D 8.07 4.25 0.00 2.82 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 0.00 494 D 8.25 4.43 0.00 2.95 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 0.00 495 F 8.23 3.83 0.00 2.27 2.14 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 0.00 496 R 7.61 3.37 0.00 1.74 1.98 0.00 3.42 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 497 K 7.91 4.33 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.51 7.81 498 K 7.99 4.01 0.00 2.01 1.94 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.87 7.81 499 F 7.81 3.69 0.00 2.17 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 500 W 8.15 4.37 0.00 3.43 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 0.00 501 E 7.79 3.84 0.00 2.14 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 2.48 2.44 0.00 502 E 8.04 4.00 0.00 1.93 1.78 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 2.25 2.37 0.00 503 V 7.27 3.36 2.23 0.00 0.00 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 0.00 0.00 0.29 0.00 0.00 504 S 7.81 4.16 0.00 4.05 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 0.00 505 K 7.46 4.47 0.00 1.73 1.85 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.66 7.81 506 D 7.51 4.52 0.00 2.57 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 4.15 0.00 2.12 2.08 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 508 E 9.47 4.51 0.00 1.89 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 2.24 2.37 0.00 509 L 7.99 4.49 0.00 1.64 1.74 0.43 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 510 S 8.21 4.31 0.00 4.05 4.36 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 0.00 511 K 7.61 4.02 0.00 2.02 2.11 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.44 7.81 512 Q 8.29 4.24 0.00 1.68 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 513 F 7.65 4.87 0.00 3.03 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 0.00 514 S 8.70 4.28 0.00 4.08 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 0.00 515 R 8.69 3.89 0.00 1.88 2.01 0.00 3.36 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 516 N 8.19 4.35 0.00 2.86 2.86 0.00 0.00 7.01 6.92 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 0.00 517 N 8.28 4.36 0.00 2.97 2.92 0.00 0.00 6.93 6.30 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 0.00 518 N 8.55 4.31 0.00 2.81 2.87 0.00 0.00 6.66 8.64 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 0.00 519 D 8.05 4.33 0.00 2.72 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 0.00 520 R 7.66 4.01 0.00 1.81 1.86 0.00 3.12 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 521 M 7.77 4.56 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.19 0.00 522 K 8.03 4.08 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 523 V 7.73 4.19 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 0.67 0.00 0.00 1.02 0.00 0.00 524 G 8.14 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 0.00 0.00 0.00 525 K 7.62 4.40 0.00 1.88 1.64 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.42 7.81 526 A 8.09 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 P 0.00 4.52 0.00 2.32 2.12 0.00 2.20 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.25 0.00 528 K 8.99 4.28 0.00 1.66 1.80 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.39 7.81 529 T 8.22 4.00 3.83 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 0.25 0.00 0.00 530 R 8.52 4.10 0.00 1.87 1.90 0.00 3.15 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 531 T 8.35 4.10 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 532 Q 7.93 4.07 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.54 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 533 D 7.36 4.68 0.00 2.70 2.64 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 0.00 534 V 7.23 3.88 2.32 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 0.69 0.00 0.00 0.92 0.00 0.00 535 S 8.53 4.49 0.00 3.81 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 0.00 536 G 8.47 3.69 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 0.00 0.00 0.00 537 K 8.69 4.30 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 538 R 8.05 4.52 0.00 2.07 1.81 0.00 3.05 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 539 T 8.41 4.48 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 540 S 7.55 5.12 0.00 4.01 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 0.00 541 F 8.72 4.40 0.00 2.89 3.13 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 0.00 0.00 0.00 0.00 542 E 9.71 4.96 0.00 2.07 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 2.32 2.50 0.00 543 L 8.70 4.89 0.00 1.74 1.69 0.46 0.51 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 0.00 544 H 9.49 4.93 0.00 2.96 3.10 0.00 5.75 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 8.17 4.93 0.98 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 0.00 0.00 546 E 8.94 3.76 0.00 2.00 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 2.29 0.00 547 K 7.92 4.33 0.00 1.80 1.63 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.39 7.81 *555 V 7.55 2.54 1.85 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 0.62 0.00 0.00 0.74 0.00 0.00 556 Y 8.22 4.58 0.00 2.40 2.29 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 0.00 557 D 8.44 4.80 0.00 2.79 2.56 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 0.00 558 M 9.18 4.36 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.77 0.00 559 D 8.35 4.70 0.00 2.83 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 0.00 560 N 8.22 5.12 0.00 2.69 2.75 0.00 0.00 6.66 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 I 7.86 5.22 1.91 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 1.47 0.61 0.92 0.00 0.00 562 S 9.01 4.79 0.00 4.00 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 0.00 563 V 8.91 4.94 1.87 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 0.99 0.00 0.00 0.96 0.00 0.00 564 V 9.16 5.24 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 0.72 0.00 0.00 0.95 0.00 0.00 565 T 8.52 4.09 4.13 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 0.00 0.00 0.00 1.31 0.00 0.00 566 P 0.00 4.33 0.00 2.13 2.12 0.00 3.57 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 2.00 2.22 0.00 567 K 7.95 4.08 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.47 7.81 568 R 7.59 4.05 0.00 1.88 2.03 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 569 H 8.64 4.22 0.00 3.33 3.37 0.00 5.69 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 0.00 570 I 7.90 3.64 2.04 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 1.68 0.94 0.90 0.00 0.00 571 D 7.96 4.42 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 I 7.72 3.65 2.14 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.77 0.00 0.00 573 H 7.97 4.79 0.00 3.06 3.32 0.00 5.60 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 R 6.96 4.57 0.00 2.04 1.94 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 575 G 8.08 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 0.00 576 K 8.23 4.17 0.00 1.70 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.