NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.0441 8.1233 122.4571 52.0301 20.8253 175.6849 *503 D 4.6173 8.5333 118.5341 54.4974 40.7672 176.1472 504 C 4.4944 8.8197 120.3861 59.4388 41.5520 173.7226 505 A 4.7567 7.3599 117.9445 50.7320 22.6921 175.0785 506 K 5.2232 7.3067 119.3369 54.0544 35.6925 176.5885 507 G 3.8739 7.9689 112.8244 45.5418 0.0000 171.3950 508 K 4.6305 7.9624 118.5453 55.8795 32.8242 176.7884 509 I 4.1057 8.0547 122.3670 61.0387 37.6618 175.8920 510 E 4.3014 9.3019 128.3161 59.0602 30.1545 176.3937 511 F 5.0866 7.2642 111.8073 56.1661 40.9549 172.8561 512 S 5.1700 8.8687 113.3893 56.7998 66.6709 173.1288 513 K 4.5442 8.3475 121.3469 55.2901 35.7660 173.8829 514 Y 4.8285 8.7783 128.9174 56.7594 39.8457 174.5561 515 N 4.8525 8.3536 124.2034 51.4533 40.5272 175.7880 516 E 4.0155 8.6833 121.2350 59.4369 29.7696 177.4687 517 D 4.4921 7.8414 115.1042 53.3802 39.4926 176.3136 518 N 3.9001 7.8982 115.8218 53.9014 36.6417 174.1815 519 T 4.3198 7.5615 109.8652 60.8026 71.3533 173.1829 520 F 5.2355 9.1846 123.5967 56.7215 42.7619 173.4839 521 T 5.3350 8.5108 122.1300 61.9978 71.5850 173.6373 522 V 4.7749 8.9683 117.4713 59.4151 36.6532 174.2629 523 K 4.6866 8.0598 124.5515 54.5681 34.4801 175.0040 524 V 4.4743 8.4488 127.1241 61.5327 34.9260 175.5722 525 S 3.5554 9.5921 123.4671 59.7965 60.1273 173.5822 526 G 3.9441 8.3575 105.9335 45.8245 0.0000 173.9249 527 R 4.6113 7.7221 118.7221 54.2938 33.4939 174.7220 528 E 4.9337 8.2078 121.1511 55.1358 32.0304 174.7951 529 Y 5.4030 9.0147 120.1404 56.1417 42.9353 174.1731 530 W 5.8141 8.6253 117.3724 55.3496 32.2886 173.8533 531 T 4.4171 9.0650 114.4206 60.1918 70.5830 173.5847 532 N 4.7705 8.4812 122.6623 52.4886 38.0394 174.6269 533 R 4.3008 7.5344 119.3674 55.2314 30.1693 177.3260 534 W 4.2999 8.9007 124.4986 59.9684 28.4933 178.2288 535 N 4.4866 8.3502 115.9186 56.1314 38.0348 177.1783 536 L 4.2161 7.9777 119.9756 57.2538 41.6307 179.0377 537 Q 3.1311 7.7332 118.7399 58.5097 28.6260 177.5071 538 P 4.2534 0.0000 0.0000 65.7050 31.4423 178.3695 539 L 3.8384 7.3582 115.5606 57.6298 41.5132 179.4652 540 L 4.3248 8.6177 119.2541 57.9613 41.5422 179.4125 541 Q 4.1486 8.3086 119.5697 59.3224 28.9482 178.4034 542 S 4.1533 8.4196 116.2113 61.4209 62.7656 176.4385 543 A 4.0498 8.1765 123.5675 55.1993 17.6227 179.5422 544 Q 3.9499 8.3649 118.1156 59.3288 28.9816 178.3048 545 L 4.0788 8.1732 119.4895 57.8356 41.8446 178.9606 546 T 4.3044 8.0955 106.7814 61.2230 69.5442 174.4738 547 G 3.7881 7.6685 108.7334 47.0943 0.0000 173.9160 548 M 4.4557 8.0891 117.9892 54.9846 33.5774 176.7164 549 T 4.5616 8.3937 117.4514 62.7963 70.3594 174.4041 550 V 4.7486 8.5766 119.4199 59.7227 35.6259 175.0056 551 T 4.5579 8.1745 119.6174 61.7471 71.3473 173.4022 552 I 3.8476 8.2028 128.9348 60.6099 38.2475 175.1850 553 I 4.8548 7.7701 128.1337 59.6656 39.3014 174.9261 554 S 4.4134 8.3646 120.2789 58.1305 65.4654 174.1551 555 N 4.5224 8.8795 118.4997 54.4627 38.8284 175.7621 556 T 4.5112 7.7890 107.9837 60.2727 70.1071 174.2933 557 C 4.9186 8.7579 122.9905 56.3809 36.1079 174.0862 558 S 4.4220 7.7721 115.7428 57.4787 63.4888 173.5182 559 S 3.7635 8.3763 117.0068 60.4194 62.2654 174.6665 560 G 4.0320 8.9606 115.5193 45.2094 0.0000 173.5821 561 S 4.6839 7.8040 116.0280 57.8348 64.5511 174.0023 562 G 2.9697 8.3110 109.1285 45.4615 0.0000 172.8114 563 F 4.9493 7.5161 114.3877 55.3748 41.0470 174.4442 564 A 4.3746 8.2912 120.3298 52.0474 20.5224 175.3365 565 E 4.8964 8.2754 119.3393 55.7866 33.1278 174.5588 566 V 4.8146 8.3142 124.6938 60.4540 34.6451 172.9446 567 Q 4.5017 8.5258 124.6834 54.3646 31.3236 173.8626 568 F 5.2324 8.8563 124.9711 55.9920 40.7597 175.5137 569 N 4.7210 8.9550 120.8175 53.3409 38.4851 174.5442 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 A 8.12 4.04 1.24 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 0.00 0.00 0.00 *503 D 8.53 4.62 0.00 2.52 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 0.00 504 C 8.82 4.49 0.00 2.45 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 0.00 505 A 7.36 4.76 1.10 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 0.00 0.00 506 K 7.31 5.22 0.00 1.45 1.58 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.27 7.81 507 G 7.97 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 0.00 0.00 0.00 508 K 7.96 4.63 0.00 1.77 1.77 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 509 I 8.05 4.11 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.49 0.98 0.00 0.00 510 E 9.30 4.30 0.00 1.93 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 2.43 2.29 0.00 511 F 7.26 5.09 0.00 3.09 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 0.00 512 S 8.87 5.17 0.00 3.58 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 0.00 513 K 8.35 4.54 0.00 1.91 1.65 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.39 7.81 514 Y 8.78 4.83 0.00 3.37 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 0.00 515 N 8.35 4.85 0.00 2.81 2.58 0.00 0.00 6.21 7.18 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 0.00 516 E 8.68 4.02 0.00 1.95 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 2.30 2.35 0.00 517 D 7.84 4.49 0.00 2.67 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 0.00 518 N 7.90 3.90 0.00 2.64 2.45 0.00 0.00 6.89 6.96 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 0.00 519 T 7.56 4.32 4.45 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 1.07 0.00 0.00 520 F 9.18 5.24 0.00 3.02 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 8.51 5.34 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 1.35 0.00 0.00 522 V 8.97 4.77 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 0.93 0.00 0.00 0.98 0.00 0.00 523 K 8.06 4.69 0.00 0.79 0.78 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 1.23 7.81 524 V 8.45 4.47 2.04 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 0.88 0.00 0.00 0.82 0.00 0.00 525 S 9.59 3.56 0.00 4.06 3.91 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 0.00 0.00 0.00 526 G 8.36 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 0.00 527 R 7.72 4.61 0.00 1.78 1.38 0.00 3.09 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 528 E 8.21 4.93 0.00 1.83 1.80 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 2.13 2.21 0.00 529 Y 9.01 5.40 0.00 2.75 2.89 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 0.00 0.00 0.00 530 W 8.63 5.81 0.00 3.53 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 0.00 531 T 9.06 4.42 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 1.15 0.00 0.00 532 N 8.48 4.77 0.00 2.69 2.95 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 7.53 4.30 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 534 W 8.90 4.30 0.00 3.34 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 0.00 535 N 8.35 4.49 0.00 2.87 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 7.98 4.22 0.00 1.89 1.81 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.73 3.13 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.67 2.21 0.00 538 P 0.00 4.25 0.00 2.23 2.29 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 539 L 7.36 3.84 0.00 1.99 1.53 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.62 4.32 0.00 2.00 2.09 1.34 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 541 Q 8.31 4.15 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 542 S 8.42 4.15 0.00 3.85 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 8.18 4.05 1.66 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 0.00 544 Q 8.36 3.95 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 545 L 8.17 4.08 0.00 1.79 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.10 4.30 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 1.23 0.00 0.00 547 G 7.67 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 548 M 8.09 4.46 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 549 T 8.39 4.56 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 8.58 4.75 1.75 0.00 0.00 0.00 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 0.79 0.00 0.00 551 T 8.17 4.56 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 1.15 0.00 0.00 552 I 8.20 3.85 1.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.27 -0.41 0.00 0.00 553 I 7.77 4.85 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.95 0.00 0.00 554 S 8.36 4.41 0.00 3.79 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 0.00 555 N 8.88 4.52 0.00 2.74 2.85 0.00 0.00 6.68 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 0.00 556 T 7.79 4.51 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 1.23 0.00 0.00 557 C 8.76 4.92 0.00 3.01 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 0.00 558 S 7.77 4.42 0.00 4.00 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 0.00 559 S 8.38 3.76 0.00 3.69 3.74 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 0.00 0.00 0.00 0.00 560 G 8.96 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 0.00 561 S 7.80 4.68 0.00 4.03 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 0.00 562 G 8.31 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 0.00 0.00 0.00 563 F 7.52 4.95 0.00 3.00 2.77 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 0.00 564 A 8.29 4.37 1.11 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 0.00 565 E 8.28 4.90 0.00 1.99 1.84 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 2.24 2.29 0.00 566 V 8.31 4.81 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 0.62 0.00 0.00 0.28 0.00 0.00 567 Q 8.53 4.50 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 568 F 8.86 5.23 0.00 2.90 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 0.00 569 N 8.96 4.72 0.00 2.57 2.69 0.00 0.00 6.92 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 * Residues marked with a * may have inaccurate shift predictions.