NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 R 4.3488 8.1127 119.0732 55.6524 30.8134 177.3001 544 R 3.8008 8.6920 113.2399 60.7070 29.9139 176.7611 545 M 4.0308 8.4466 119.6553 58.5719 32.6634 177.4805 546 A 4.0669 7.9793 120.9397 54.7864 18.4153 179.5402 547 N 4.2253 7.9253 114.7783 56.6936 38.7829 176.8892 548 N 4.2589 8.1816 117.6102 56.5349 38.7420 177.1945 549 A 3.9816 7.9501 121.6342 55.2164 18.4150 179.9112 550 R 3.8529 7.8460 116.4723 59.4116 30.1199 178.8486 551 E 3.9179 8.5274 119.4505 59.5149 29.7433 179.1030 552 R 3.9144 8.3056 118.2579 59.1493 30.0260 179.2954 553 V 3.6268 7.6366 117.7720 65.7559 31.5600 178.0494 554 R 3.8698 8.2131 118.7345 59.5866 29.8741 178.7611 555 V 3.6749 8.0713 118.1220 65.8462 31.4533 178.0075 556 R 3.9200 7.8634 118.3331 59.2714 29.8181 178.2609 557 D 4.3646 8.3268 118.9001 57.3084 40.8027 178.7228 558 I 3.6970 7.8167 120.2338 64.6730 37.2005 178.3898 559 N 4.5910 8.5927 117.2952 55.9824 38.2691 177.2618 560 E 3.9344 8.0659 120.5786 59.1615 29.7189 178.5149 561 A 3.9980 8.2552 121.0479 55.1333 18.3100 179.5621 562 F 4.0179 8.3865 116.2400 60.8824 39.0083 178.0106 563 R 3.9515 8.1212 117.5653 59.3298 29.8584 179.0398 564 E 3.9433 8.2949 118.1656 59.4749 29.5796 179.1452 565 L 4.1515 8.2323 120.6262 58.0947 42.0532 179.2608 566 G 3.7400 8.9568 108.8254 48.3742 0.0000 176.6515 567 R 3.9466 8.3851 123.5465 61.2848 29.2631 180.1328 568 M 4.1990 8.2180 118.6358 59.0530 32.3428 177.9515 569 C 4.4211 8.3678 118.8699 63.5544 27.9065 176.7042 570 Q 4.2014 8.3345 124.2085 59.9111 27.4564 179.9243 571 L 4.6635 7.5878 119.3472 57.8402 41.2289 181.9615 572 H 5.1142 8.2984 113.7436 56.2186 30.4866 173.2597 573 L 4.7683 7.4380 121.4446 53.8400 44.0942 175.5880 574 K 3.5515 8.2341 118.1105 58.9477 31.7534 173.7858 *578 A 4.2771 7.7361 122.5992 51.9124 20.8803 175.9286 579 Q 3.6384 8.0768 120.0359 56.8784 24.9806 173.9274 580 T 4.3812 7.5531 113.7106 59.9564 72.5874 175.4730 581 K 3.5503 8.0662 119.1809 59.1192 31.8275 179.3372 582 L 3.9543 7.6959 120.2640 58.1640 42.0809 178.6516 583 L 4.0015 7.8301 120.0905 58.1888 41.9451 179.0303 584 I 3.8002 7.9708 119.9212 64.3564 36.5693 178.4185 585 L 4.1138 8.3017 119.8848 57.6795 41.3940 179.6782 586 Q 4.0338 8.1357 118.2001 58.9750 28.6586 178.4953 587 Q 3.9890 8.4631 119.2031 58.8492 28.6684 178.4728 588 A 3.9510 8.1482 121.8436 55.2853 18.2819 179.8449 589 V 3.4869 7.4541 115.6631 66.1709 31.5726 177.9013 590 Q 3.9233 8.0430 119.2170 59.2101 28.8069 178.4323 591 V 3.5511 8.5311 119.7982 66.1804 31.6026 178.0154 592 I 3.6648 7.9755 119.6874 64.4511 36.8674 178.4884 593 L 4.1356 8.2869 120.1352 57.5311 41.2732 179.9281 594 G 3.5548 8.3207 106.1504 47.7015 0.0000 175.8741 595 L 3.9886 8.1569 122.0792 57.6129 41.4590 179.4216 596 E 3.9309 8.0007 117.1439 59.3831 29.5832 178.9194 597 Q 4.1080 7.8174 119.2533 59.3353 29.0404 178.5385 598 Q 4.0362 7.8788 118.7457 58.8597 28.5211 178.7592 599 V 3.9495 7.7703 114.4187 63.4410 31.1620 175.4504 600 R 4.3271 8.1834 118.8138 58.1264 31.7484 176.1543 601 E 4.2624 7.8249 116.3176 55.9455 29.7769 177.6192 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 8.11 4.35 0.00 1.75 1.74 0.00 3.23 0.00 0.00 3.33 7.53 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 8.69 3.80 0.00 1.95 1.96 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 545 M 8.45 4.03 0.00 2.12 2.05 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 2.67 2.61 0.00 546 A 7.98 4.07 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 0.00 547 N 7.93 4.23 0.00 2.91 2.87 0.00 0.00 7.15 6.92 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 0.00 548 N 8.18 4.26 0.00 2.88 2.89 0.00 0.00 6.99 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 0.00 549 A 7.95 3.98 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 7.85 3.85 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 551 E 8.53 3.92 0.00 2.05 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 0.00 2.31 2.41 0.00 552 R 8.31 3.91 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 553 V 7.64 3.63 2.23 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 1.00 0.00 0.00 0.98 0.00 0.00 554 R 8.21 3.87 0.00 2.08 2.03 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 555 V 8.07 3.67 2.16 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 1.05 0.00 0.00 1.00 0.00 0.00 556 R 7.86 3.92 0.00 2.03 2.15 0.00 3.32 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 557 D 8.33 4.36 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.70 2.07 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 1.52 0.60 1.08 0.00 0.00 559 N 8.59 4.59 0.00 2.77 2.92 0.00 0.00 6.74 8.21 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 0.00 560 E 8.07 3.93 0.00 2.19 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 0.00 2.32 2.48 0.00 561 A 8.26 4.00 1.28 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 0.00 0.00 0.00 562 F 8.39 4.02 0.00 3.27 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 8.12 3.95 0.00 2.09 2.02 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 564 E 8.29 3.94 0.00 2.18 2.00 0.00 0.00 0.00 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 2.54 0.00 565 L 8.23 4.15 0.00 1.70 1.89 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 566 G 8.96 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 0.00 0.00 0.00 567 R 8.39 3.95 0.00 1.80 1.95 0.00 3.30 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 568 M 8.22 4.20 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 569 C 8.37 4.42 0.00 3.20 2.99 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 0.00 0.00 0.00 570 Q 8.33 4.20 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 571 L 7.59 4.66 0.00 1.78 1.59 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 572 H 8.30 5.11 0.00 3.22 3.29 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 L 7.44 4.77 0.00 1.61 1.58 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 574 K 8.23 3.55 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.03 7.81 *578 A 7.74 4.28 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 0.00 579 Q 8.08 3.64 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 580 T 7.55 4.38 4.16 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 1.17 0.00 0.00 581 K 8.07 3.55 0.00 1.46 0.79 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.79 1.10 7.81 582 L 7.70 3.95 0.00 1.74 1.64 0.94 0.54 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 0.00 583 L 7.83 4.00 0.00 1.83 1.86 0.93 1.01 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 0.00 584 I 7.97 3.80 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 1.11 0.00 0.00 585 L 8.30 4.11 0.00 1.93 1.78 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 586 Q 8.14 4.03 0.00 2.27 2.15 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 8.46 3.99 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 588 A 8.15 3.95 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 0.00 589 V 7.45 3.49 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 0.96 0.00 0.00 590 Q 8.04 3.92 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 591 V 8.53 3.55 2.23 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 0.94 0.00 0.00 0.99 0.00 0.00 592 I 7.98 3.66 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 0.89 0.94 0.00 0.00 593 L 8.29 4.14 0.00 1.84 1.71 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 594 G 8.32 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.99 0.00 1.69 1.71 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 596 E 8.00 3.93 0.00 1.94 2.02 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 2.34 2.51 0.00 597 Q 7.82 4.11 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 598 Q 7.88 4.04 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 599 V 7.77 3.95 2.08 0.00 0.00 0.00 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 0.96 0.00 0.00 600 R 8.18 4.33 0.00 1.93 2.10 0.00 3.30 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 601 E 7.82 4.26 0.00 2.01 1.69 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 2.21 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.