NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4944 8.1593 117.3238 62.5761 69.8660 173.4844 502 P 4.2649 0.0000 0.0000 62.2413 32.5591 174.1095 503 D 4.4766 8.8415 121.7865 55.2305 41.4753 177.1046 504 C 4.8847 8.8922 121.9595 57.7887 46.8340 174.2825 505 V 4.6469 7.2131 115.9645 60.7740 34.2959 172.7736 506 T 5.0004 8.9966 118.4429 60.9816 72.1349 173.8431 507 G 3.9310 7.8072 111.2139 46.3599 0.0000 171.5114 508 K 4.9388 8.1996 118.6735 54.8925 33.3203 177.6064 509 V 3.8429 8.1851 122.8433 62.8559 32.0033 175.8559 510 E 4.3443 9.0733 128.5852 59.4341 29.9926 176.4531 511 Y 5.1242 7.0405 114.8841 56.4963 41.1054 173.2121 512 T 5.0957 8.5929 109.4596 59.9900 72.5930 173.0439 513 K 4.5236 8.1851 122.8005 55.2134 36.0365 173.9300 514 Y 4.8298 8.7622 128.8453 56.7172 39.7237 174.4946 515 N 4.8828 8.3655 124.2090 51.4775 40.5352 175.5140 516 D 4.3692 8.7516 120.2631 57.4851 41.2421 176.8898 517 D 4.6508 7.9558 116.0857 53.0173 39.4529 176.0084 518 D 3.9824 8.1308 117.0507 55.6778 39.0377 173.8440 519 T 4.4921 7.5911 111.0607 60.8009 71.4709 173.0700 520 F 5.3114 9.1422 123.0723 56.9210 42.5618 173.4655 521 T 5.3170 8.7810 123.2429 62.1498 71.0754 174.0965 522 V 4.6961 8.8420 123.6704 59.8025 35.3630 174.0155 523 K 4.7678 8.4124 124.8143 54.6028 34.2965 174.8422 524 V 4.4438 7.9620 126.9478 60.7440 34.7827 174.7256 525 G 3.7324 8.9358 116.5423 47.2488 0.0000 173.8738 526 D 4.8117 8.8907 123.4579 52.4283 39.9223 175.4532 527 K 4.8173 7.8915 119.7946 54.8500 35.4115 174.8240 528 E 4.7060 9.2385 124.6034 54.7238 31.5893 174.7260 529 L 5.5162 8.8149 126.7176 52.8764 45.9932 175.4758 530 F 5.6148 9.1019 114.6672 55.5949 41.7262 173.6147 531 T 4.3839 9.0022 114.0043 59.9785 70.7917 173.7146 532 N 4.9982 8.5205 122.3289 52.5456 38.0165 174.7103 533 R 4.1920 7.6479 119.0910 55.2836 30.1005 176.8306 534 A 3.9841 8.7161 126.4466 55.5143 17.9578 178.7362 535 N 4.3250 8.1444 114.0568 56.1951 38.5292 176.9421 536 L 4.2344 8.0320 119.5881 56.4727 41.7904 179.1037 537 Q 2.8827 7.7566 119.2255 58.7656 28.6019 178.9001 538 S 4.1963 7.7907 114.2925 60.8696 63.2924 176.2435 539 L 3.8047 7.2517 120.0230 57.7587 41.3608 179.3860 540 L 4.3412 8.3883 119.3006 57.7200 41.5101 179.2837 541 L 4.1536 8.2099 120.4147 58.3926 42.0595 179.2687 542 S 4.1266 8.4445 115.0788 61.4630 62.6738 176.4843 543 A 4.0977 8.2803 123.6311 55.0332 17.9780 179.5706 544 Q 3.9150 8.2917 118.0801 59.6050 29.0491 178.3480 545 I 3.8170 7.9622 119.9665 63.8949 37.1296 177.5248 546 T 4.5479 7.8166 107.7955 60.5399 69.0535 174.5586 547 G 3.9367 7.8574 108.1035 47.2729 0.0000 174.4862 548 M 4.4876 8.0958 118.4830 55.2283 33.8262 175.6609 549 T 4.8122 8.5473 117.7331 62.6824 70.3912 174.5617 550 V 4.8143 8.8081 119.7914 59.7424 35.3661 174.7741 551 T 4.8891 8.2641 119.9106 61.9018 71.2978 173.0706 552 I 4.3660 8.2993 127.8787 59.7617 39.0538 174.8164 553 K 4.8440 8.2451 126.6772 55.0037 33.6380 175.6920 554 T 4.4644 8.0418 117.6652 61.4297 70.1488 173.3070 555 N 4.4186 8.9387 124.1845 55.8685 39.9128 176.1205 556 A 4.3776 7.7148 122.9329 51.4672 17.4839 177.8402 557 C 4.5308 7.5718 123.8951 54.1548 43.5559 171.5525 558 H 4.8758 7.3444 117.3885 53.6003 31.1049 173.8101 559 N 4.5912 8.6576 118.3158 55.2453 38.6417 175.9225 560 G 4.1087 9.3227 111.7240 45.1373 0.0000 173.9665 561 G 3.9987 7.6608 107.6742 45.6463 0.0000 173.5772 562 G 3.5728 8.3020 108.9349 44.6376 0.0000 172.5951 563 F 5.1782 7.8201 115.2910 55.5590 41.1905 174.7499 564 S 4.4963 8.7272 109.7890 58.0231 65.1979 173.1737 565 E 4.8247 8.3231 121.3311 54.8078 32.3695 175.0037 566 V 4.7503 8.3180 123.0483 61.2344 35.1146 173.9428 567 I 4.4009 8.4294 128.1542 59.5571 39.5897 174.3867 568 F 5.0323 8.8092 125.2206 55.6723 41.0363 175.6426 569 R 4.3036 8.8542 123.6942 56.3989 30.2440 175.1688 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 4.23 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 1.28 0.00 0.00 502 P 0.00 4.26 0.00 2.17 2.16 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 2.21 2.05 0.00 503 D 8.84 4.48 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 8.89 4.88 0.00 2.87 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 0.00 505 V 7.21 4.65 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 0.51 0.00 0.00 0.87 0.00 0.00 506 T 9.00 5.00 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 7.81 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 0.00 508 K 8.20 4.94 0.00 1.64 1.75 0.00 1.90 0.00 0.00 2.43 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.22 7.81 509 V 8.19 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 0.83 0.00 0.00 0.96 0.00 0.00 510 E 9.07 4.34 0.00 1.63 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 2.25 2.36 0.00 511 Y 7.04 5.12 0.00 2.92 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 5.10 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 1.33 0.00 0.00 513 K 8.19 4.52 0.00 1.85 1.61 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 514 Y 8.76 4.83 0.00 3.27 2.96 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 0.00 515 N 8.37 4.88 0.00 2.86 2.61 0.00 0.00 6.18 7.46 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 0.00 516 D 8.75 4.37 0.00 2.65 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 0.00 517 D 7.96 4.65 0.00 2.75 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 0.00 518 D 8.13 3.98 0.00 2.83 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 0.00 519 T 7.59 4.49 4.54 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 0.00 0.00 0.00 1.21 0.00 0.00 520 F 9.14 5.31 0.00 2.98 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 0.00 521 T 8.78 5.32 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 1.30 0.00 0.00 522 V 8.84 4.70 2.25 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 0.75 0.00 0.00 0.92 0.00 0.00 523 K 8.41 4.77 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.08 1.32 7.81 524 V 7.96 4.44 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 0.84 0.00 0.00 0.78 0.00 0.00 525 G 8.94 3.73 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 0.00 0.00 0.00 526 D 8.89 4.81 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 7.89 4.82 0.00 1.61 1.67 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.43 7.81 528 E 9.24 4.71 0.00 2.05 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 0.00 2.24 2.27 0.00 529 L 8.81 5.52 0.00 1.60 1.79 0.90 0.41 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 0.00 530 F 9.10 5.61 0.00 3.19 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 0.00 531 T 9.00 4.38 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 1.17 0.00 0.00 532 N 8.52 5.00 0.00 2.87 2.98 0.00 0.00 6.08 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 7.65 4.19 0.00 1.83 1.89 0.00 3.28 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 534 A 8.72 3.98 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 0.00 535 N 8.14 4.33 0.00 2.74 2.88 0.00 0.00 7.17 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 8.03 4.23 0.00 1.89 1.82 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.76 2.88 0.00 1.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.59 2.20 0.00 538 S 7.79 4.20 0.00 4.00 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 0.00 539 L 7.25 3.80 0.00 1.94 1.36 0.89 0.36 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 0.00 540 L 8.39 4.34 0.00 2.07 2.07 1.37 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.21 4.15 0.00 1.95 1.73 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.44 4.13 0.00 3.97 3.87 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 0.00 543 A 8.28 4.10 1.63 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 0.00 0.00 544 Q 8.29 3.91 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 545 I 7.96 3.82 2.03 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 0.84 0.93 0.00 0.00 546 T 7.82 4.55 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 7.86 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 0.00 548 M 8.10 4.49 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 549 T 8.55 4.81 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 8.81 4.81 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 0.81 0.00 0.00 0.88 0.00 0.00 551 T 8.26 4.89 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 1.12 0.00 0.00 552 I 8.30 4.37 1.53 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 0.89 0.46 0.11 0.00 0.00 553 K 8.25 4.84 0.00 1.60 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.28 7.81 554 T 8.04 4.46 4.27 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 1.18 0.00 0.00 555 N 8.94 4.42 0.00 2.73 2.86 0.00 0.00 6.94 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 7.71 4.38 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 0.00 557 C 7.57 4.53 0.00 3.08 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 0.00 558 H 7.34 4.88 0.00 3.39 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.66 4.59 0.00 2.79 2.87 0.00 0.00 7.08 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 9.32 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 0.00 561 G 7.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.57 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 0.00 0.00 0.00 563 F 7.82 5.18 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 0.00 564 S 8.73 4.50 0.00 3.90 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 0.00 565 E 8.32 4.82 0.00 2.08 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 0.00 2.29 2.27 0.00 566 V 8.32 4.75 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 0.18 0.00 0.00 1.06 0.00 0.00 567 I 8.43 4.40 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 1.19 0.65 0.89 0.00 0.00 568 F 8.81 5.03 0.00 2.91 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 0.00 569 R 8.85 4.30 0.00 1.95 1.72 0.00 3.12 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 1.52 1.55 0.00