NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 R 4.3348 8.2129 119.0732 56.4165 32.2769 178.1929 544 R 3.8464 7.8746 119.8360 61.1945 29.4546 179.4381 545 M 4.2467 8.4089 121.2874 57.9352 32.4036 178.2537 546 A 3.9859 7.9391 120.6521 55.1884 18.6032 179.3294 547 N 4.3168 8.0628 114.5167 56.6006 38.5577 177.5339 548 N 4.3981 8.5530 117.8544 55.8680 38.6126 177.4955 549 A 3.9941 8.1395 122.6347 55.2730 18.6046 179.7126 550 R 3.9473 8.1587 118.9515 60.2725 30.2307 179.8967 551 E 4.1791 8.2741 117.8759 61.0445 29.4119 181.2271 552 R 4.1306 7.4598 117.7084 59.2000 30.4055 179.1212 553 V 3.6879 7.7333 117.7196 66.1315 31.7815 177.7502 554 R 3.9146 8.3913 118.8580 59.8461 29.8080 178.1861 555 V 3.8225 7.8611 116.9304 64.9999 31.5324 178.0604 556 R 3.9417 8.4515 119.3147 59.3860 29.8311 178.0015 557 D 4.3370 8.0190 118.1872 57.4302 41.0011 178.2761 558 I 3.8650 7.6113 119.6520 64.9429 37.3212 178.2620 559 N 4.6558 8.4834 119.3026 56.8504 38.2765 178.1495 560 E 3.9733 8.3936 119.6093 61.0170 29.8516 181.4960 561 A 4.1877 8.8212 123.3193 55.2031 18.3112 179.5582 562 F 4.0064 8.9715 118.7505 61.5660 39.0988 178.8682 563 R 4.0772 8.1779 122.3106 61.9728 29.0795 181.0087 564 E 4.1779 8.6600 119.7605 61.0439 29.7507 180.8712 565 L 4.2610 8.3113 122.1915 57.8383 42.0899 179.2588 566 G 3.7504 8.5356 108.4345 48.3243 0.0000 176.4492 567 R 3.9349 7.9614 122.7239 61.6539 29.4916 180.7087 568 M 4.2038 7.7598 119.8529 58.6519 32.0040 178.7978 569 C 4.2771 8.2950 119.0586 63.5978 28.2036 176.8786 570 Q 4.2871 8.2678 124.7551 60.4853 27.3818 181.3099 571 L 4.1523 7.7153 122.7429 60.2059 41.1003 182.0686 572 H 4.5930 7.9316 116.0319 57.7680 28.7763 177.0378 573 L 4.4557 8.4639 120.9723 54.8824 42.0981 176.9183 574 K 3.6249 7.6735 121.9112 52.8187 31.0525 182.9868 575 S 3.6194 7.1384 119.8739 59.5611 60.2259 174.0269 576 D 4.4748 8.1941 126.6126 51.3984 38.2374 170.8820 *579 Q 4.0587 7.9510 120.4304 55.5516 29.3746 176.0172 580 T 4.3837 7.9155 114.1191 60.1976 72.0451 175.5353 581 K 3.8401 8.2069 119.9315 59.2671 31.8346 179.3690 582 L 3.9984 7.7952 120.2375 58.1693 42.0754 178.6452 583 L 4.0145 7.8045 119.7841 58.1870 41.9633 179.0407 584 I 3.7919 8.0815 119.9843 64.3637 36.7585 178.4146 585 L 4.0634 8.2761 119.8734 57.6937 41.4032 179.6911 586 Q 4.0278 8.1460 118.1922 58.9889 28.6514 178.5260 587 Q 3.9936 8.4211 119.1306 58.8302 28.6661 178.4689 588 A 3.9800 8.1073 121.8231 55.2813 18.3165 179.8169 589 V 3.4834 7.4533 116.0812 66.1855 31.5973 177.8654 590 Q 3.9278 8.0704 119.1785 59.2234 28.9493 178.4421 591 V 3.5571 8.5905 119.9664 66.1815 31.4879 178.0271 592 I 3.6742 7.9972 119.6803 64.2688 36.8384 178.3983 593 L 4.0581 8.1599 120.0075 57.9163 41.4575 179.9184 594 G 3.6073 8.2972 105.5108 47.5775 0.0000 175.5895 595 L 4.1046 7.7543 120.9708 57.3834 41.7359 179.1237 596 E 3.9510 8.4678 118.9729 59.3096 29.2748 178.8915 597 Q 3.9385 8.3001 119.8754 59.5285 28.8209 178.8017 598 Q 3.9741 7.5483 117.1747 59.0433 29.1250 178.6431 599 V 3.7151 8.2748 119.7113 65.8842 31.2940 178.0455 600 R 3.9531 8.6835 118.6745 58.4249 29.9992 177.2606 601 E 4.5448 7.7469 116.8677 56.8813 30.2446 177.3398 602 R 4.2417 7.6339 127.0150 58.9883 29.6333 181.0768 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 543 R 8.21 4.33 0.00 1.75 1.98 0.00 3.22 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 544 R 7.87 3.85 0.00 1.89 1.96 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.35 0.00 545 M 8.41 4.25 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 546 A 7.94 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 547 N 8.06 4.32 0.00 2.95 2.87 0.00 0.00 7.03 6.77 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 0.00 548 N 8.55 4.40 0.00 2.83 2.87 0.00 0.00 6.94 8.18 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 0.00 549 A 8.14 3.99 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 0.00 550 R 8.16 3.95 0.00 1.88 2.01 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 551 E 8.27 4.18 0.00 1.99 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 2.24 2.22 0.00 552 R 7.46 4.13 0.00 1.95 2.02 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 553 V 7.73 3.69 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 1.00 0.00 0.00 0.99 0.00 0.00 554 R 8.39 3.91 0.00 2.03 2.08 0.00 3.15 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 555 V 7.86 3.82 2.27 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 0.95 0.00 0.00 0.97 0.00 0.00 556 R 8.45 3.94 0.00 1.87 2.12 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 557 D 8.02 4.34 0.00 2.89 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 0.00 558 I 7.61 3.87 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 1.17 0.00 0.00 559 N 8.48 4.66 0.00 3.01 2.89 0.00 0.00 7.23 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 0.00 560 E 8.39 3.97 0.00 1.98 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 2.24 2.19 0.00 561 A 8.82 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.01 0.00 3.30 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 0.00 563 R 8.18 4.08 0.00 1.85 1.94 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 564 E 8.66 4.18 0.00 1.92 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 0.00 2.25 2.19 0.00 565 L 8.31 4.26 0.00 1.68 1.82 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 566 G 8.54 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 R 7.96 3.93 0.00 1.87 1.95 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 568 M 7.76 4.20 0.00 2.05 2.31 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 2.64 2.61 0.00 569 C 8.29 4.28 0.00 3.18 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 0.00 570 Q 8.27 4.29 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 571 L 7.72 4.15 0.00 1.74 1.61 0.92 0.89 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 0.00 572 H 7.93 4.59 0.00 3.16 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 L 8.46 4.46 0.00 1.71 1.71 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 574 K 7.67 3.62 0.00 1.95 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.27 7.81 575 S 7.14 3.62 0.00 3.92 4.10 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 0.00 576 D 8.19 4.47 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *579 Q 7.95 4.06 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 580 T 7.92 4.38 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 581 K 8.21 3.84 0.00 1.54 1.02 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.91 1.13 7.81 582 L 7.80 4.00 0.00 1.76 1.67 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 583 L 7.80 4.01 0.00 1.82 1.88 0.94 1.15 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 0.00 584 I 8.08 3.79 2.27 0.00 0.00 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 1.60 0.81 1.03 0.00 0.00 585 L 8.28 4.06 0.00 1.93 1.76 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 586 Q 8.15 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 587 Q 8.42 3.99 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 588 A 8.11 3.98 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 0.00 589 V 7.45 3.48 2.26 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 1.06 0.00 0.00 0.99 0.00 0.00 590 Q 8.07 3.93 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 591 V 8.59 3.56 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 0.92 0.00 0.00 1.00 0.00 0.00 592 I 8.00 3.67 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.89 0.00 0.00 593 L 8.16 4.06 0.00 1.83 1.71 0.92 0.72 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 0.00 594 G 8.30 3.61 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 0.00 595 L 7.75 4.10 0.00 1.95 1.67 0.97 0.69 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 0.00 596 E 8.47 3.95 0.00 2.10 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 0.00 2.31 2.56 0.00 597 Q 8.30 3.94 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 598 Q 7.55 3.97 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 599 V 8.27 3.72 2.18 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 0.99 0.00 0.00 0.97 0.00 0.00 600 R 8.68 3.95 0.00 1.86 2.17 0.00 3.46 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 601 E 7.75 4.54 0.00 2.11 2.03 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 2.51 2.43 0.00 602 R 7.63 4.24 0.00 1.97 1.74 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.