NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 D 4.5328 8.2076 120.1938 53.8252 41.5185 175.9500 504 F 4.2772 8.4767 123.1883 58.9284 38.1681 176.6857 505 C 4.4866 8.4410 119.5723 58.9670 40.9268 175.4420 506 L 4.3229 7.7087 118.0007 54.9015 41.9150 176.8670 507 E 4.2567 7.6459 119.2293 55.0462 30.0641 175.0940 508 P 4.3814 0.0000 0.0000 61.4526 32.2057 174.4793 509 P 3.5646 0.0000 0.0000 62.7242 31.3638 175.2112 510 Y 4.6366 7.8179 121.6595 56.0646 40.0872 175.3605 511 T 4.1443 8.2414 125.5061 64.8365 68.8773 176.3241 512 G 3.8133 6.6278 105.4967 43.9886 0.0000 171.4484 513 P 4.3087 0.0000 0.0000 65.1741 32.0073 178.0072 514 C 4.4857 7.8914 116.1460 56.9580 40.6759 173.4821 515 K 4.4145 8.1727 119.5542 56.2309 32.6718 176.6852 516 A 4.2652 7.6706 120.4490 51.4994 20.4832 177.6302 517 R 4.3336 8.2661 119.3317 54.2318 29.9989 172.7272 518 I 4.4060 8.4305 122.7449 59.0101 39.6653 174.6774 519 I 4.3331 8.3271 128.5533 61.0819 37.8797 175.3281 520 R 4.7889 8.2611 125.3434 54.5285 34.5986 173.7229 521 Y 5.6089 9.2962 117.0836 56.6558 41.4073 175.4415 522 F 5.7949 9.5200 116.6406 55.4968 42.0651 172.8455 523 Y 4.4360 9.9822 123.2081 57.5332 39.4512 174.6024 524 N 4.6635 8.3231 126.8080 51.6010 38.9368 174.8667 525 A 3.7038 8.5967 132.0247 55.4307 18.9672 179.6807 526 K 4.0687 7.8641 116.7355 57.5508 31.7950 181.0640 527 A 4.1326 8.0173 120.7218 52.3773 18.9355 178.0102 528 G 3.8483 8.7673 103.7298 45.6554 0.0000 172.8594 529 L 4.6569 6.8358 118.0197 54.2052 44.2586 174.8604 530 C 4.9787 8.6266 117.1393 56.6276 38.9881 173.2319 531 Q 4.8388 8.6507 121.8566 54.0993 32.7986 174.5459 532 T 4.8255 8.2910 110.5593 61.2491 70.7230 173.6867 533 F 5.0039 8.6710 116.7832 56.0605 42.0184 172.8346 534 V 4.3927 8.4808 119.8457 62.0367 32.4186 174.1339 535 Y 4.8660 8.9020 130.0060 56.0200 40.4985 176.4388 536 G 3.9758 8.0484 113.4004 46.1437 0.0000 174.9582 537 G 3.9334 6.1054 107.1074 45.4073 0.0000 172.4982 538 C 4.9462 6.9515 112.0681 54.9333 44.5094 173.1210 539 R 3.8656 8.8465 116.3942 57.0633 27.0525 176.8448 540 A 4.2828 8.4413 119.1919 52.5781 18.9696 178.3969 541 K 4.4328 8.2910 120.6752 54.8115 34.1835 177.1226 542 R 3.6513 8.1737 117.8866 59.1374 30.4397 177.5924 543 N 4.8028 7.9275 117.8977 51.5887 37.5218 174.5920 544 N 5.1505 6.6610 116.6048 52.7231 41.6678 173.0385 545 F 5.0853 9.5150 124.6826 55.6290 42.5268 176.4942 546 K 4.3203 8.8494 121.7008 58.2664 32.7011 177.6568 547 S 4.4328 7.6902 112.5233 55.5565 67.2349 174.6120 548 A 3.3923 7.2898 123.9769 54.9089 17.9959 180.0220 549 E 3.8005 7.7509 116.8489 59.5551 29.5431 179.0022 550 D 4.2552 8.0040 118.9248 57.3291 40.9005 177.9667 551 C 2.4500 7.6382 118.7158 59.5433 44.8304 175.6497 552 M 3.9301 8.1021 120.5796 58.1421 31.2351 178.8137 553 R 3.7788 7.6892 118.1507 59.6793 30.3610 178.5133 554 T 4.0699 7.6857 114.3710 66.2515 68.6996 174.9725 555 C 4.2936 8.0601 115.8315 56.5982 42.0960 174.4889 556 G 3.6586 7.2946 108.3129 47.4493 0.0000 173.4096 557 G 3.7062 8.9916 113.6737 46.4482 0.0000 172.9229 558 A 4.2255 7.2240 126.9389 51.7807 19.1158 177.3840 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 503 D 8.21 4.53 0.00 2.65 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 0.00 504 F 8.48 4.28 0.00 3.41 3.33 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 0.00 505 C 8.44 4.49 0.00 2.87 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 0.00 506 L 7.71 4.32 0.00 1.77 1.75 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.65 4.26 0.00 2.08 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 2.42 2.46 0.00 508 P 0.00 4.38 0.00 2.07 1.99 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 509 P 0.00 3.56 0.00 0.73 0.49 0.00 3.22 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 510 Y 7.82 4.64 0.00 2.80 2.95 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 0.00 511 T 8.24 4.14 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 1.15 0.00 0.00 512 G 6.63 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.17 2.20 0.00 3.76 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 1.97 2.02 0.00 514 C 7.89 4.49 0.00 2.80 2.95 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 0.00 515 K 8.17 4.41 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.35 7.81 516 A 7.67 4.27 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 0.00 517 R 8.27 4.33 0.00 1.74 1.77 0.00 3.34 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 518 I 8.43 4.41 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 1.23 0.49 0.99 0.00 0.00 519 I 8.33 4.33 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 1.27 0.41 0.72 0.00 0.00 520 R 8.26 4.79 0.00 0.84 1.90 0.00 3.38 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 521 Y 9.30 5.61 0.00 3.19 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 0.00 522 F 9.52 5.79 0.00 3.13 3.12 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 0.00 0.00 0.00 0.00 523 Y 9.98 4.44 0.00 3.01 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 0.00 524 N 8.32 4.66 0.00 2.21 2.47 0.00 0.00 6.64 7.54 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 0.00 525 A 8.60 3.70 1.39 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 0.00 0.00 526 K 7.86 4.07 0.00 1.75 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 527 A 8.02 4.13 1.18 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 0.00 0.00 528 G 8.77 3.85 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 0.00 529 L 6.84 4.66 0.00 1.68 1.69 0.80 0.62 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 0.00 530 C 8.63 4.98 0.00 2.93 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 0.00 531 Q 8.65 4.84 0.00 1.27 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 532 T 8.29 4.83 4.01 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 0.59 0.00 0.00 533 F 8.67 5.00 0.00 3.04 3.27 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 0.00 534 V 8.48 4.39 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 0.73 0.00 0.00 0.92 0.00 0.00 535 Y 8.90 4.87 0.00 2.61 2.76 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 0.00 0.00 0.00 0.00 536 G 8.05 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 0.00 0.00 0.00 537 G 6.11 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 0.00 0.00 0.00 538 C 6.95 4.95 0.00 3.06 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 0.00 539 R 8.85 3.87 0.00 2.21 2.28 0.00 3.32 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 540 A 8.44 4.28 1.03 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 0.00 541 K 8.29 4.43 0.00 1.76 1.72 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.35 7.81 542 R 8.17 3.65 0.00 1.27 0.74 0.00 2.21 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.00 543 N 7.93 4.80 0.00 3.18 2.89 0.00 0.00 6.68 7.79 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 0.00 544 N 6.66 5.15 0.00 2.69 2.57 0.00 0.00 7.08 7.02 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 0.00 545 F 9.51 5.09 0.00 3.22 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 0.00 546 K 8.85 4.32 0.00 1.83 1.94 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 547 S 7.69 4.43 0.00 3.96 3.86 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 0.00 0.00 0.00 548 A 7.29 3.39 0.94 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 0.00 549 E 7.75 3.80 0.00 1.97 1.92 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 2.33 2.38 0.00 550 D 8.00 4.26 0.00 2.89 2.84 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 0.00 0.00 0.00 0.00 551 C 7.64 2.45 0.00 2.89 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 0.00 552 M 8.10 3.93 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 553 R 7.69 3.78 0.00 1.85 2.01 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 554 T 7.69 4.07 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 1.62 0.00 0.00 555 C 8.06 4.29 0.00 2.63 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 0.00 0.00 0.00 0.00 556 G 7.29 3.66 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 0.00 0.00 0.00 557 G 8.99 3.71 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 0.00 0.00 0.00 558 A 7.22 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00