NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 510 S 4.4670 8.1927 115.4164 58.2262 64.6943 173.0626 511 F 4.0666 8.8556 120.6716 61.7776 39.1274 176.0778 512 I 3.5564 8.8744 120.1834 64.6970 37.1670 177.3502 513 D 4.3443 7.6379 119.9573 57.4828 40.8541 179.1279 514 R 3.8684 7.7480 116.3205 59.1239 29.2002 178.9753 515 V 3.8173 7.6841 119.2977 65.7420 31.5125 178.1642 516 K 4.0101 8.2943 118.3825 59.3193 31.6532 179.1790 517 A 4.0545 8.1293 120.5460 54.9211 18.3505 179.2782 518 L 4.1009 7.7223 117.6316 58.3271 42.2014 178.9779 519 L 4.0931 8.1345 119.0433 58.1099 41.5986 177.3035 520 G 4.1441 9.0859 108.5599 46.3738 0.0000 175.7184 521 E 4.2179 8.7999 122.7665 57.7684 29.5973 178.0276 522 R 4.0722 7.5442 117.1314 58.2981 30.3267 177.2257 523 V 4.5959 7.1208 108.2472 59.0434 35.1217 175.5905 524 K 4.1877 8.8406 124.2239 59.6566 32.7083 176.1494 525 D 4.6060 7.6401 116.5952 53.5496 44.7611 174.4568 526 V 4.9853 8.4127 121.1945 61.5252 34.4144 174.5496 527 R 4.8107 8.9178 126.0930 54.8548 34.5791 173.6965 528 L 5.2416 8.3866 117.5176 54.0911 45.6646 176.3653 529 T 4.4458 8.7263 114.9728 61.3371 70.9772 173.6725 530 H 4.8526 8.7566 124.4116 56.1186 29.0501 175.4456 531 R 4.4615 7.8728 117.8842 55.8969 29.9371 175.7346 532 L 4.6954 7.5916 118.9915 52.8637 44.5368 175.1755 533 T 3.9700 9.1634 111.3129 63.9322 67.1721 174.3906 534 D 4.8574 9.3475 113.5794 53.8731 42.2232 175.5231 535 T 4.4049 7.7845 117.1667 61.7083 68.9051 172.9900 536 P 4.4118 0.0000 0.0000 65.5751 32.3237 175.9630 537 A 5.0223 7.6961 118.6952 50.8965 22.4779 174.7600 538 I 4.8265 8.9048 119.4417 59.8562 42.4047 173.7616 539 V 5.2795 8.2440 122.3215 59.6590 34.6521 174.1747 540 S 4.8897 8.3930 115.2428 58.4260 66.0093 173.3347 541 T 5.0085 8.4210 109.2096 59.8415 71.6311 173.7539 542 D 4.6061 8.7682 121.8991 53.8710 42.0725 177.8102 543 A 3.9228 8.1971 124.5753 55.4749 18.4685 179.4153 544 D 5.0555 7.9727 112.5977 54.1858 43.0403 176.9749 545 E 4.0384 8.9321 120.2565 56.7138 28.7386 178.3592 *547 S 4.2487 8.9317 115.5584 58.6753 65.1006 174.7861 548 T 4.0312 8.4410 117.4366 67.0811 68.5065 177.5754 549 Q 4.1932 7.9396 119.9507 56.2850 28.6351 177.4227 *551 A 4.3491 8.1310 121.1087 51.5441 20.5064 179.7643 552 K 3.9402 8.1617 115.7327 59.6672 32.4334 178.4658 553 L 3.9779 7.7000 120.6628 57.9661 41.5617 178.6580 554 F 4.6860 7.7503 117.1163 60.9096 38.7087 177.5410 555 A 4.4145 8.4999 121.2632 53.9678 18.1061 178.9364 556 A 4.1435 8.4244 117.7582 53.9104 18.5280 178.6220 557 A 4.4221 8.5333 117.8603 52.8119 19.4132 176.3116 558 G 3.9645 7.5364 111.2953 45.3230 0.0000 173.3215 559 Q 4.0328 7.8007 117.1033 55.4441 29.8020 176.1959 560 K 4.3810 8.2991 119.7644 54.5627 33.1019 177.0195 561 V 3.8186 8.3167 117.4748 60.3629 32.1953 174.3312 562 P 4.1533 0.0000 0.0000 62.6774 31.5799 175.8170 563 E 3.7777 8.8254 122.1287 56.3713 29.5285 176.9568 564 V 3.2805 8.3876 125.7348 63.6215 31.7183 175.0957 565 K 4.3231 8.2662 126.6226 55.6336 32.6095 176.1240 566 Y 4.6604 8.4968 123.0202 57.2654 40.4201 174.5906 567 I 4.7203 9.1058 122.4437 59.8394 39.3190 175.0973 568 F 5.0821 9.4600 131.6321 57.8140 40.1985 173.8604 569 E 4.9782 9.0016 126.8891 54.6075 31.6731 175.5299 570 L 4.8989 8.3274 123.9559 52.9297 45.5617 175.3556 571 N 5.1064 8.7507 120.8515 50.8116 39.1703 173.7887 572 P 4.1778 0.0000 0.0000 65.4386 31.6018 177.2984 573 D 4.6292 8.3275 115.7356 54.5067 41.1264 176.0024 574 H 4.5063 8.0086 120.7097 54.7509 31.6684 175.4286 575 V 3.4867 8.2537 127.7438 66.4910 31.2671 178.2111 576 L 3.4473 8.0072 117.7675 57.6491 41.5393 179.5817 577 V 3.5309 7.5655 117.6837 65.6268 31.4751 178.2150 578 K 3.6286 7.9594 118.3004 59.4586 31.7641 179.0896 579 R 3.7326 8.0302 117.5426 59.5948 29.7604 177.9004 580 A 4.1435 7.3123 119.3788 54.6321 18.5221 179.2519 581 A 4.3798 7.3615 118.4924 55.1218 18.8690 179.3371 582 D 4.6254 8.4563 116.8583 55.1416 40.5982 176.8480 583 T 4.6405 7.8203 115.3990 62.0090 70.8392 174.4966 584 E 4.1240 8.8919 125.3877 57.2604 30.3084 176.5165 585 D 4.7092 7.8974 119.4586 52.9823 42.1937 176.1946 586 E 4.1257 8.8917 127.7338 59.2757 29.4832 179.2766 587 A 3.9997 8.7114 121.3424 55.0463 18.5618 179.2114 588 K 3.7517 8.1509 117.4780 59.8795 32.2976 178.2780 589 F 4.3386 8.5834 120.7008 61.7352 39.1291 177.2862 590 S 3.8555 8.0639 111.7451 61.3877 62.2665 175.7067 591 E 3.8431 7.9842 121.1924 59.3209 29.1251 179.4117 592 W 4.2110 7.9166 118.4966 59.9033 29.1134 178.4943 593 V 3.6931 7.6667 117.9544 66.3666 30.8488 177.9188 594 E 3.8822 8.3943 118.2890 59.1210 29.1771 179.0206 595 L 4.1295 8.3450 120.7610 58.4287 42.2576 179.1433 596 L 4.1471 8.4710 119.2098 57.5851 41.4719 179.3145 597 L 3.3509 8.2579 120.5718 58.1562 42.0017 178.8359 598 D 3.9690 7.8279 118.8083 57.1249 40.4884 178.3640 599 Q 3.7782 8.1961 120.1917 59.2064 28.9411 178.5923 600 A 3.9580 7.9360 121.5651 55.0994 18.4389 179.6322 601 L 3.5671 7.8400 117.7477 57.6483 41.6403 179.4655 602 L 3.7947 8.2789 120.3990 57.9410 41.7345 178.9963 603 A 3.9429 7.4259 119.6971 55.0216 18.4244 179.0602 604 E 3.9367 7.9337 116.5662 59.6341 29.9197 178.8328 605 R 4.1896 8.3751 116.8904 56.5898 30.4744 178.0169 606 G 3.9450 9.4832 105.7031 45.4314 0.0000 172.3971 607 T 4.6363 7.0708 107.5656 60.6235 71.6646 172.6479 608 L 4.6990 7.9392 120.1369 52.8726 45.6868 176.4031 609 E 4.0960 9.0943 122.8665 59.2622 30.0269 177.4176 610 D 4.8852 7.5849 116.7703 50.6461 41.3274 173.3714 611 P 4.3627 0.0000 0.0000 65.8774 31.8838 177.7415 612 N 4.3460 8.2330 114.1917 55.8965 38.2945 177.1853 613 L 3.9333 8.0070 122.1482 58.0059 42.0219 178.5034 614 F 4.3332 8.2408 118.7815 61.6471 39.3803 176.5941 615 I 3.4863 7.6847 117.9506 64.4438 37.2004 178.4169 616 R 4.0598 8.0399 118.8620 58.8406 29.7775 179.0467 617 R 3.7394 7.8173 115.6675 57.2146 29.4369 177.6493 *619 N 4.5207 8.0982 116.6998 52.8999 40.6009 176.2533 620 Q 3.9175 7.7679 118.4561 59.4357 28.8585 178.5820 621 L 3.7077 7.6343 119.0686 57.5133 41.6340 179.2827 622 L 4.1554 7.3283 117.4467 56.6013 41.6017 178.4243 623 V 4.0761 7.7470 117.7374 63.6317 32.3620 175.5085 624 S 4.3794 7.8834 116.5881 58.2826 63.2758 173.6732 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 510 S 8.19 4.47 0.00 4.09 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 0.00 511 F 8.86 4.07 0.00 3.18 3.15 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 0.00 512 I 8.87 3.56 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.59 0.95 0.00 0.00 513 D 7.64 4.34 0.00 3.09 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 0.00 514 R 7.75 3.87 0.00 1.69 2.04 0.00 2.57 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.25 0.00 515 V 7.68 3.82 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 1.05 0.00 0.00 0.32 0.00 0.00 516 K 8.29 4.01 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.72 7.81 517 A 8.13 4.05 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 0.00 518 L 7.72 4.10 0.00 2.00 1.97 1.01 0.97 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 0.00 519 L 8.13 4.09 0.00 1.76 1.68 0.99 0.80 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 0.00 520 G 9.09 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 0.00 0.00 0.00 521 E 8.80 4.22 0.00 1.97 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 2.32 2.28 0.00 522 R 7.54 4.07 0.00 1.90 1.96 0.00 3.08 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 523 V 7.12 4.60 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 0.61 0.00 0.00 0.99 0.00 0.00 524 K 8.84 4.19 0.00 1.76 1.99 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.39 7.81 525 D 7.64 4.61 0.00 2.81 2.47 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 0.00 526 V 8.41 4.99 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 0.86 0.00 0.00 1.06 0.00 0.00 527 R 8.92 4.81 0.00 1.73 1.79 0.00 3.13 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 528 L 8.39 5.24 0.00 1.43 1.45 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 529 T 8.73 4.45 4.32 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 1.17 0.00 0.00 530 H 8.76 4.85 0.00 3.19 3.30 0.00 5.74 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 0.00 531 R 7.87 4.46 0.00 1.82 1.95 0.00 3.16 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 532 L 7.59 4.70 0.00 1.63 1.81 0.94 0.91 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 0.00 533 T 9.16 3.97 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 1.22 0.00 0.00 534 D 9.35 4.86 0.00 2.67 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 0.00 535 T 7.78 4.40 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 1.30 0.00 0.00 536 P 0.00 4.41 0.00 1.98 1.68 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 537 A 7.70 5.02 1.26 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 0.00 0.00 0.00 538 I 8.90 4.83 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.93 0.00 0.00 539 V 8.24 5.28 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 0.55 0.00 0.00 0.97 0.00 0.00 540 S 8.39 4.89 0.00 3.94 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 0.00 541 T 8.42 5.01 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 1.04 0.00 0.00 542 D 8.77 4.61 0.00 2.73 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 0.00 543 A 8.20 3.92 1.29 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 0.00 0.00 544 D 7.97 5.06 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 E 8.93 4.04 0.00 2.12 1.57 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 2.25 2.35 0.00 *547 S 8.93 4.25 0.00 3.99 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 0.00 548 T 8.44 4.03 4.38 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 1.30 0.00 0.00 549 Q 7.94 4.19 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 *551 A 8.13 4.35 1.40 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 0.00 552 K 8.16 3.94 0.00 1.95 1.90 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 553 L 7.70 3.98 0.00 1.63 1.21 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 554 F 7.75 4.69 0.00 3.10 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 0.00 555 A 8.50 4.41 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 0.00 556 A 8.42 4.14 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 0.00 557 A 8.53 4.42 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 0.00 558 G 7.54 3.96 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 0.00 559 Q 7.80 4.03 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 560 K 8.30 4.38 0.00 1.75 1.81 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.52 7.81 561 V 8.32 3.82 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 0.75 0.00 0.00 1.07 0.00 0.00 562 P 0.00 4.15 0.00 2.02 1.99 0.00 3.70 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 2.01 2.08 0.00 563 E 8.83 3.78 0.00 1.92 1.91 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 2.32 2.35 0.00 564 V 8.39 3.28 1.69 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 0.03 0.00 0.00 0.83 0.00 0.00 565 K 8.27 4.32 0.00 1.60 1.72 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 566 Y 8.50 4.66 0.00 2.97 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 0.00 567 I 9.11 4.72 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.97 0.00 0.00 568 F 9.46 5.08 0.00 3.01 2.97 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 0.00 569 E 9.00 4.98 0.00 1.96 1.79 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 0.00 2.24 2.46 0.00 570 L 8.33 4.90 0.00 1.54 1.48 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 571 N 8.75 5.11 0.00 2.72 2.80 0.00 0.00 7.11 7.27 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 0.00 572 P 0.00 4.18 0.00 2.07 2.07 0.00 3.66 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 1.97 2.08 0.00 573 D 8.33 4.63 0.00 2.76 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 0.00 574 H 8.01 4.51 0.00 3.25 3.18 0.00 5.81 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 0.00 575 V 8.25 3.49 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 0.93 0.00 0.00 0.84 0.00 0.00 576 L 8.01 3.45 0.00 1.58 1.41 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 577 V 7.57 3.53 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 0.99 0.00 0.00 0.94 0.00 0.00 578 K 7.96 3.63 0.00 1.84 1.85 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.53 7.81 579 R 8.03 3.73 0.00 1.56 1.41 0.00 2.59 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 580 A 7.31 4.14 1.50 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 0.00 0.00 581 A 7.36 4.38 0.70 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 0.00 0.00 582 D 8.46 4.63 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 T 7.82 4.64 4.61 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 1.49 0.00 0.00 584 E 8.89 4.12 0.00 1.99 2.01 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 2.30 2.30 0.00 585 D 7.90 4.71 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 E 8.89 4.13 0.00 2.07 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 0.00 2.41 2.34 0.00 587 A 8.71 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 K 8.15 3.75 0.00 2.19 2.17 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 1.86 7.81 589 F 8.58 4.34 0.00 3.34 3.47 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 0.00 590 S 8.06 3.86 0.00 4.19 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 0.00 591 E 7.98 3.84 0.00 1.93 1.68 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 2.24 2.41 0.00 592 W 7.92 4.21 0.00 3.54 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 0.00 593 V 7.67 3.69 1.91 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 1.17 0.00 0.00 0.32 0.00 0.00 594 E 8.39 3.88 0.00 2.13 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 2.45 2.42 0.00 595 L 8.34 4.13 0.00 1.80 2.01 0.98 0.77 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 0.00 596 L 8.47 4.15 0.00 2.18 1.96 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 597 L 8.26 3.35 0.00 1.15 1.53 0.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 598 D 7.83 3.97 0.00 2.60 1.59 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 0.00 599 Q 8.20 3.78 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 600 A 7.94 3.96 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 0.00 601 L 7.84 3.57 0.00 1.57 1.50 0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.28 3.79 0.00 1.49 1.67 0.87 1.11 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 0.00 603 A 7.43 3.94 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 0.00 604 E 7.93 3.94 0.00 1.79 1.71 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 2.07 2.35 0.00 605 R 8.38 4.19 0.00 1.86 1.94 0.00 3.18 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 606 G 9.48 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 0.00 0.00 0.00 607 T 7.07 4.64 4.23 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 1.21 0.00 0.00 608 L 7.94 4.70 0.00 1.56 1.47 0.59 0.68 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 0.00 609 E 9.09 4.10 0.00 1.93 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 2.31 2.29 0.00 610 D 7.58 4.89 0.00 2.69 2.49 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 0.00 611 P 0.00 4.36 0.00 2.23 2.18 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 612 N 8.23 4.35 0.00 2.74 2.87 0.00 0.00 6.73 6.74 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 0.00 613 L 8.01 3.93 0.00 1.95 1.87 0.92 0.82 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 0.00 614 F 8.24 4.33 0.00 3.05 3.35 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 0.00 615 I 7.68 3.49 1.97 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 1.39 0.77 0.82 0.00 0.00 616 R 8.04 4.06 0.00 1.99 1.92 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 617 R 7.82 3.74 0.00 2.03 1.97 0.00 3.15 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 *619 N 8.10 4.52 0.00 2.73 2.82 0.00 0.00 6.65 7.50 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 0.00 620 Q 7.77 3.92 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 621 L 7.63 3.71 0.00 1.26 0.98 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 622 L 7.33 4.16 0.00 1.76 1.70 0.87 0.78 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 0.00 623 V 7.75 4.08 2.15 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 0.86 0.00 0.00 0.95 0.00 0.00 624 S 7.88 4.38 0.00 4.02 3.80 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 * Residues marked with a * may have inaccurate shift predictions.