NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4941 8.1593 117.3244 62.7617 70.0996 173.4645 502 P 4.3440 0.0000 0.0000 62.0017 32.8898 173.9991 503 D 4.5620 8.8038 121.5210 55.2270 41.4932 176.7261 504 C 4.7920 9.0042 121.5208 57.8014 45.9139 174.1186 505 V 4.7038 7.2714 110.0729 60.1860 36.0525 173.5954 506 T 4.9080 9.1305 118.5236 61.0187 72.4298 174.6637 507 G 3.8407 7.6659 111.7667 45.3605 0.0000 171.5735 508 K 4.5673 7.8491 118.6358 55.2515 33.0856 177.1357 509 V 3.8359 8.1040 121.7183 62.8320 31.4809 175.7614 510 E 4.3474 8.9892 128.8943 59.3969 29.8855 176.8580 511 Y 5.0377 7.1336 115.1586 56.2076 41.2642 173.3673 512 T 5.0469 8.5886 109.5792 59.9313 72.4679 173.0253 513 K 4.5227 8.2222 123.1755 55.0806 36.2429 174.1214 514 Y 4.6968 8.7240 128.4501 56.7237 40.5139 174.1116 515 N 5.0718 8.0561 123.5706 51.1321 41.0327 175.4586 516 D 4.6284 8.6582 119.8779 57.1711 41.3324 176.7488 517 D 4.6639 7.8897 116.4692 52.9440 39.4480 176.9764 518 D 3.9494 8.5769 117.5375 54.9804 39.5701 174.1115 519 T 4.0828 7.2930 110.1009 61.2424 70.6959 173.0357 520 F 5.2066 8.9252 123.3747 56.6728 42.6937 173.4924 521 T 5.3213 8.3685 122.4595 61.7527 71.6261 173.5810 522 V 4.6669 9.1503 124.1428 59.7328 35.5125 174.4406 523 K 4.6230 8.3013 124.0681 54.7251 34.1601 174.6999 524 V 4.4191 7.8543 127.6519 60.6995 34.6916 175.0352 525 G 3.6898 8.8572 115.8138 47.3093 0.0000 174.0047 526 D 4.8004 8.8271 123.7507 52.5230 39.8035 175.6111 527 K 4.7856 7.7825 119.8587 54.8927 35.2077 174.7821 528 E 4.8681 9.0601 124.3980 54.6150 31.8159 174.7262 529 L 5.5614 8.9493 126.5732 52.9325 46.3353 175.4736 530 F 5.5757 9.1260 115.3766 55.6250 41.9630 173.4185 531 T 4.5177 9.0205 113.3672 60.1892 70.8886 173.6820 532 N 4.7774 8.5233 121.4957 52.4174 37.9348 174.4810 533 R 4.3606 7.6323 119.6794 55.5451 30.4298 177.5058 534 W 4.0708 9.2506 124.1357 59.8146 28.8226 178.2318 535 N 4.4447 8.3504 115.9863 56.0596 37.9875 176.9319 536 L 4.1703 7.7758 119.6991 56.8109 41.6453 179.2871 537 Q 2.8304 7.5882 119.2754 58.7106 28.6306 178.8565 538 S 4.1342 7.8107 114.6240 61.1819 63.1383 176.2731 539 L 3.8740 7.3945 122.7413 57.7557 41.4042 179.5141 540 L 4.3151 8.4843 119.2554 57.5781 41.5284 179.3861 541 L 4.1535 7.9829 120.6877 58.0975 41.9672 179.0265 542 S 4.1177 8.3166 115.0168 61.5459 62.8077 176.4058 543 A 4.0765 8.2502 123.4413 55.2626 18.1971 179.4488 544 Q 3.9282 8.2722 117.8493 59.5158 29.0224 178.3370 545 I 3.7632 8.1430 119.9408 64.4837 37.3285 177.7414 546 T 4.3597 8.1685 107.4001 60.8622 69.1901 174.6106 547 G 3.9285 7.8459 109.3006 47.1507 0.0000 174.1931 548 M 4.4386 7.9881 118.0013 55.0807 33.3090 176.3957 549 T 4.5996 8.2143 117.8163 62.8173 70.4147 174.6141 550 V 4.8577 8.7770 118.9018 59.7464 35.9682 174.5879 551 T 4.9404 8.3869 119.2322 61.8635 71.6278 172.9883 552 I 4.4826 8.4147 127.3482 59.4680 39.4026 174.6355 553 K 4.8580 8.1771 126.7224 55.0990 33.5855 175.6658 554 T 4.3214 8.0786 117.1237 61.6672 70.2628 173.0984 555 N 4.4131 9.0261 123.6189 55.5720 39.9543 176.2189 556 A 4.3942 7.7826 123.9731 51.1101 17.5638 177.5185 557 C 4.5628 7.5097 123.3979 53.7744 41.0364 171.6619 558 H 4.7332 7.4914 116.7543 53.7322 30.7441 173.9898 559 N 4.5540 8.8297 118.1390 55.6346 38.5972 175.7250 560 G 4.1151 9.2670 112.0056 44.9738 0.0000 173.8553 561 G 4.0168 8.2843 107.5963 45.9650 0.0000 172.9023 562 T 4.3419 7.8218 115.3966 60.1957 69.8998 172.7926 563 F 4.9004 7.6915 118.4832 56.4672 40.8922 174.7256 564 S 4.5024 8.7228 109.9454 58.5954 65.2094 173.2151 565 E 4.8345 8.4004 121.2296 54.8655 32.4066 174.9800 566 V 4.7230 8.3776 122.9876 61.1784 35.2569 173.9894 567 I 4.4111 8.4374 127.7287 59.4931 39.8177 174.3867 568 F 4.9845 8.9516 125.8687 56.0043 40.4198 176.0648 569 R 4.3541 8.8979 122.8015 56.2018 30.4290 176.1761 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 501 T 8.16 4.49 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 1.23 0.00 0.00 502 P 0.00 4.34 0.00 2.17 2.15 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 503 D 8.80 4.56 0.00 2.53 2.59 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 0.00 504 C 9.00 4.79 0.00 2.87 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 0.00 505 V 7.27 4.70 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 0.60 0.00 0.00 0.76 0.00 0.00 506 T 9.13 4.91 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 1.16 0.00 0.00 507 G 7.67 3.84 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 0.00 0.00 0.00 508 K 7.85 4.57 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 509 V 8.10 3.84 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 0.79 0.00 0.00 0.95 0.00 0.00 510 E 8.99 4.35 0.00 1.83 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 2.34 2.21 0.00 511 Y 7.13 5.04 0.00 2.94 3.02 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 0.00 512 T 8.59 5.05 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 1.39 0.00 0.00 513 K 8.22 4.52 0.00 1.83 1.57 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 514 Y 8.72 4.70 0.00 3.30 2.87 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 0.00 0.00 0.00 0.00 515 N 8.06 5.07 0.00 2.76 2.53 0.00 0.00 6.29 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 0.00 516 D 8.66 4.63 0.00 2.64 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 0.00 517 D 7.89 4.66 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 0.00 518 D 8.58 3.95 0.00 2.59 1.95 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 0.00 519 T 7.29 4.08 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 520 F 8.93 5.21 0.00 2.88 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 0.00 521 T 8.37 5.32 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 1.31 0.00 0.00 522 V 9.15 4.67 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 0.68 0.00 0.00 0.89 0.00 0.00 523 K 8.30 4.62 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.86 1.07 7.81 524 V 7.85 4.42 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 0.83 0.00 0.00 0.77 0.00 0.00 525 G 8.86 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 0.00 526 D 8.83 4.80 0.00 2.76 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 0.00 527 K 7.78 4.79 0.00 1.63 1.68 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.44 7.81 528 E 9.06 4.87 0.00 2.05 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 2.26 2.28 0.00 529 L 8.95 5.56 0.00 1.62 1.80 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.13 5.58 0.00 3.15 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 0.00 531 T 9.02 4.52 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 1.11 0.00 0.00 532 N 8.52 4.78 0.00 2.88 2.94 0.00 0.00 6.11 7.66 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 0.00 533 R 7.63 4.36 0.00 1.84 1.96 0.00 3.33 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 534 W 9.25 4.07 0.00 3.33 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 0.00 535 N 8.35 4.44 0.00 2.79 2.91 0.00 0.00 7.18 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 0.00 536 L 7.78 4.17 0.00 1.86 1.84 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.59 2.83 0.00 1.77 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.55 2.12 0.00 538 S 7.81 4.13 0.00 4.02 4.09 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 0.00 539 L 7.39 3.87 0.00 1.95 1.59 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.48 4.32 0.00 2.12 2.05 1.35 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 541 L 7.98 4.15 0.00 2.02 1.84 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.32 4.12 0.00 4.05 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 0.00 543 A 8.25 4.08 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 544 Q 8.27 3.93 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 545 I 8.14 3.76 1.91 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 1.62 0.86 0.94 0.00 0.00 546 T 8.17 4.36 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 1.22 0.00 0.00 547 G 7.85 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 0.00 548 M 7.99 4.44 0.00 2.22 2.13 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 2.57 0.00 549 T 8.21 4.60 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 1.18 0.00 0.00 550 V 8.78 4.86 1.74 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 0.76 0.00 0.00 0.77 0.00 0.00 551 T 8.39 4.94 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 1.21 0.00 0.00 552 I 8.41 4.48 1.52 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.30 0.13 0.00 0.00 553 K 8.18 4.86 0.00 1.59 1.75 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.27 7.81 554 T 8.08 4.32 4.28 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 0.00 0.00 0.00 1.20 0.00 0.00 555 N 9.03 4.41 0.00 2.75 2.85 0.00 0.00 6.89 7.35 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 0.00 556 A 7.78 4.39 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 0.00 557 C 7.51 4.56 0.00 3.07 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 0.00 558 H 7.49 4.73 0.00 3.35 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.83 4.55 0.00 2.78 2.89 0.00 0.00 7.14 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 0.00 560 G 9.27 4.12 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 0.00 0.00 0.00 561 G 8.28 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 0.00 562 T 7.82 4.34 3.52 0.00 0.00 0.00 0.00 0.00 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 0.00 563 F 7.69 4.90 0.00 2.95 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 0.00 564 S 8.72 4.50 0.00 3.92 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 0.00 565 E 8.40 4.83 0.00 2.11 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 2.30 2.29 0.00 566 V 8.38 4.72 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 0.09 0.00 0.00 1.03 0.00 0.00 567 I 8.44 4.41 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.90 0.00 0.00 568 F 8.95 4.98 0.00 2.87 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 0.00 569 R 8.90 4.35 0.00 1.74 1.80 0.00 3.16 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 1.56 1.54 0.00