NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 N 4.7377 8.4093 118.1291 53.3631 39.9860 173.3323 531 Y 4.5334 7.8747 118.8567 53.9676 40.5877 173.6488 532 D 4.4517 9.1992 122.7187 54.1101 42.2901 178.6332 533 R 4.2644 8.4943 127.1538 58.9528 30.1058 178.7978 534 K 3.9978 8.1580 119.3047 59.4335 32.2016 178.5108 535 L 3.8641 8.2097 120.6459 57.8815 41.9366 178.5324 536 F 4.3014 8.6042 120.5348 61.4836 39.4159 177.0134 537 A 3.7510 8.2148 120.2624 54.9054 18.0517 179.8297 538 K 3.8963 7.9001 116.7659 59.6480 32.0818 179.6337 539 L 4.0360 8.2031 119.5682 57.5592 41.4915 179.5488 540 R 3.7407 7.8865 118.8788 59.3743 29.9925 178.8159 541 K 3.9387 7.8494 118.1618 59.1574 32.0138 179.1641 542 L 3.7668 8.0012 120.7695 58.0516 41.9207 178.9048 543 R 4.0526 8.1982 118.8008 59.3842 29.9754 178.2195 544 K 3.8355 8.1188 119.3312 59.5439 32.1699 178.5255 545 S 4.0411 7.9669 113.2411 61.6503 62.3541 176.3323 546 I 3.7700 7.8726 122.1773 64.0867 36.8228 178.3539 547 A 3.8619 8.2717 122.0678 55.2169 18.1825 179.3463 548 D 4.2798 8.3986 117.8213 57.5471 40.6685 178.7812 549 E 3.9618 7.9121 117.7982 59.5474 29.6777 179.0562 550 S 4.3782 7.8980 111.3248 57.5742 64.4283 173.3946 551 N 4.1120 7.6274 119.5197 54.7772 37.3811 173.2994 552 V 4.4990 7.6465 110.1659 58.3039 36.3435 174.6561 553 P 4.1978 0.0000 0.0000 62.2930 31.8250 175.3304 554 P 4.1299 0.0000 0.0000 65.9697 31.4191 178.1439 555 Y 4.3656 7.7971 113.7635 59.1992 37.9444 177.6348 556 V 3.5247 6.7780 119.6641 65.4595 31.0347 176.5343 557 V 2.6880 6.6645 119.8808 63.4374 32.0017 175.1909 558 F 4.9493 7.1311 116.0224 54.7570 43.5568 174.4160 559 N 4.8284 8.7497 122.6169 52.4027 39.6238 175.9832 560 D 4.5104 8.6587 119.8010 57.5850 40.8661 178.9554 561 A 3.9400 8.0319 120.7706 55.2086 18.1705 179.7512 562 T 3.7242 8.2867 113.8626 66.7581 68.6412 176.4417 563 L 4.1203 7.5159 119.0541 58.0127 42.0045 179.4652 564 I 3.4275 7.7990 119.5145 63.9362 36.7387 179.1755 565 E 4.5740 8.1446 119.5174 56.0210 29.4121 178.1871 *567 A 4.4672 8.0661 121.7667 51.5429 20.9095 179.7596 568 E 4.1473 8.3120 115.6594 58.9207 30.8756 178.0778 569 Q 3.9740 8.5670 116.6791 56.5758 27.7635 175.0099 *571 P 4.3741 0.0000 0.0000 63.1543 33.3125 176.5269 572 I 4.5818 9.1426 121.0109 60.5899 39.2672 175.2039 573 T 4.6893 7.7730 108.2655 58.9432 71.8182 173.7070 574 A 4.1769 8.8371 124.5801 55.7243 18.4482 179.2913 575 S 4.3106 8.2461 109.8282 62.0566 63.0255 177.5232 576 E 4.1262 7.8877 118.0176 56.6583 28.2393 178.8323 *578 L 4.4803 7.9076 120.0467 54.8305 43.5139 178.3494 579 S 4.2647 7.6611 112.9906 59.8410 63.4086 174.3308 580 V 4.1565 7.4111 120.9169 60.4847 32.1088 174.5038 581 N 4.3415 8.4106 125.9148 55.6309 39.0267 174.9207 582 G 3.8995 9.1599 112.8775 45.2572 0.0000 172.9607 583 V 4.5015 7.6501 119.0637 61.0302 34.3110 174.5666 584 G 3.5973 9.0959 117.6287 45.9658 0.0000 174.0921 *586 R 4.1532 9.1905 121.9685 56.2242 32.6284 176.6094 587 K 3.9812 7.9395 116.6495 59.0780 31.9858 179.0262 588 L 4.0660 8.0904 120.8210 58.2018 41.8431 178.7616 589 E 3.9294 8.0737 116.5957 59.5546 29.5410 179.0072 590 R 3.7617 7.6870 117.0743 58.4265 30.2122 176.8992 591 F 5.2049 8.2310 113.3097 56.9578 41.3064 176.5482 592 G 3.8975 8.6316 111.2236 48.7246 0.0000 175.6851 593 K 3.9896 8.4240 120.6291 58.6367 32.4527 175.7986 594 P 4.4032 0.0000 0.0000 65.9668 31.3814 178.5446 595 F 3.9871 8.1672 113.6336 57.8356 38.4097 176.8769 *597 A 4.2511 8.1106 125.9632 52.2571 20.5015 179.7649 598 L 3.9370 8.0441 117.0559 58.3203 42.0633 179.2891 599 I 3.7585 8.0746 119.9725 64.5204 36.7101 178.5157 600 R 3.9283 8.1111 118.1824 59.4172 29.9271 178.8613 601 A 4.0304 8.0939 120.4754 55.1392 18.2771 179.2654 602 H 4.0419 8.3273 116.8571 59.6636 29.8485 178.0938 603 V 3.6731 7.8991 112.6049 63.8585 31.4205 177.3551 604 D 4.7005 7.7342 116.1378 53.5827 41.0456 177.0482 605 G 3.8504 7.8167 107.5373 46.3181 0.0000 173.7002 606 D 4.4898 8.5721 125.3042 54.2063 40.8895 176.4300 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 530 N 8.41 4.74 0.00 2.69 2.71 0.00 0.00 6.81 6.57 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 0.00 531 Y 7.87 4.53 0.00 3.01 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 0.00 532 D 9.20 4.45 0.00 2.72 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 0.00 533 R 8.49 4.26 0.00 1.91 2.03 0.00 3.09 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 534 K 8.16 4.00 0.00 1.87 2.08 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.54 7.81 535 L 8.21 3.86 0.00 1.42 1.80 0.86 0.92 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 0.00 536 F 8.60 4.30 0.00 3.31 3.46 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 0.00 537 A 8.21 3.75 1.38 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 0.00 0.00 0.00 538 K 7.90 3.90 0.00 1.98 1.84 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.67 7.81 539 L 8.20 4.04 0.00 1.88 1.91 1.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 540 R 7.89 3.74 0.00 1.42 1.83 0.00 2.84 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 541 K 7.85 3.94 0.00 1.97 1.79 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 542 L 8.00 3.77 0.00 1.51 1.47 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 543 R 8.20 4.05 0.00 2.29 2.14 0.00 3.32 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 544 K 8.12 3.84 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.43 7.81 545 S 7.97 4.04 0.00 3.98 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 0.00 546 I 7.87 3.77 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.93 0.00 0.00 547 A 8.27 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.28 0.00 2.92 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 0.00 549 E 7.91 3.96 0.00 2.23 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 0.00 2.35 2.36 0.00 550 S 7.90 4.38 0.00 3.88 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 0.00 551 N 7.63 4.11 0.00 2.76 2.78 0.00 0.00 6.90 8.95 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 0.00 552 V 7.65 4.50 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 0.75 0.00 0.00 0.83 0.00 0.00 553 P 0.00 4.20 0.00 1.31 1.99 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.71 0.00 554 P 0.00 4.13 0.00 2.21 2.15 0.00 3.57 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 2.12 2.07 0.00 555 Y 7.80 4.37 0.00 3.00 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 0.00 556 V 6.78 3.52 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 0.66 0.00 0.00 0.57 0.00 0.00 557 V 6.66 2.69 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 -0.20 0.00 0.00 0.41 0.00 0.00 558 F 7.13 4.95 0.00 2.88 2.63 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 0.00 559 N 8.75 4.83 0.00 3.05 3.06 0.00 0.00 6.25 8.07 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 0.00 560 D 8.66 4.51 0.00 2.84 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 0.00 561 A 8.03 3.94 1.27 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 0.00 0.00 562 T 8.29 3.72 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 563 L 7.52 4.12 0.00 2.11 2.02 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 564 I 7.80 3.43 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.22 0.36 0.00 0.00 565 E 8.14 4.57 0.00 2.08 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 2.26 2.15 0.00 *567 A 8.07 4.47 1.61 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 0.00 0.00 568 E 8.31 4.15 0.00 2.24 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 2.39 2.45 0.00 569 Q 8.57 3.97 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.41 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 *571 P 0.00 4.37 0.00 2.05 2.05 0.00 3.62 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 1.87 2.08 0.00 572 I 9.14 4.58 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.93 0.00 0.00 573 T 7.77 4.69 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 0.00 574 A 8.84 4.18 1.33 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 0.00 0.00 575 S 8.25 4.31 0.00 3.88 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 0.00 576 E 7.89 4.13 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 2.33 2.29 0.00 *578 L 7.91 4.48 0.00 1.83 1.78 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.66 4.26 0.00 4.01 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 0.00 580 V 7.41 4.16 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 1.02 0.00 0.00 0.86 0.00 0.00 581 N 8.41 4.34 0.00 2.74 2.71 0.00 0.00 7.39 9.25 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 0.00 582 G 9.16 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 0.00 0.00 0.00 583 V 7.65 4.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.72 0.00 0.00 584 G 9.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.19 4.15 0.00 1.85 1.97 0.00 3.31 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 587 K 7.94 3.98 0.00 2.03 2.05 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.58 7.81 588 L 8.09 4.07 0.00 1.93 1.76 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 589 E 8.07 3.93 0.00 2.10 1.94 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 2.30 2.36 0.00 590 R 7.69 3.76 0.00 1.41 0.73 0.00 2.97 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 591 F 8.23 5.20 0.00 3.04 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 0.00 592 G 8.63 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 0.00 0.00 0.00 593 K 8.42 3.99 0.00 1.78 1.94 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 594 P 0.00 4.40 0.00 2.12 2.28 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.11 0.00 595 F 8.17 3.99 0.00 3.44 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *597 A 8.11 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 L 8.04 3.94 0.00 1.81 1.84 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 599 I 8.07 3.76 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 1.02 0.00 0.00 600 R 8.11 3.93 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 601 A 8.09 4.03 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 0.00 602 H 8.33 4.04 0.00 3.35 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 V 7.90 3.67 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 0.92 0.00 0.00 1.05 0.00 0.00 604 D 7.73 4.70 0.00 2.77 2.78 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 0.00 605 G 7.82 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 0.00 606 D 8.57 4.49 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.