NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 537 R 4.2092 8.2431 120.8664 58.0238 30.8401 174.4592 538 G 4.2843 9.1401 113.6005 46.1724 0.0000 171.1562 539 S 3.5087 8.4325 119.7139 56.4498 62.2773 170.8687 540 H 4.5402 8.4304 123.9285 55.6290 29.6784 175.4704 *542 L 4.2044 8.4701 125.6448 55.1617 43.7664 178.7437 543 E 4.1645 8.0452 116.5067 59.2985 29.4176 178.5148 544 S 4.1147 7.4597 113.3722 61.7462 62.6064 175.0746 545 Y 4.1334 8.2246 121.8972 59.6691 38.5185 176.8757 546 A 4.2073 8.5722 122.4705 55.5173 18.9792 179.2742 547 F 4.1004 8.5388 115.8976 60.7931 39.0562 178.1603 548 N 4.3548 8.0243 112.4804 54.4943 38.8560 176.6863 *550 K 4.0849 8.2168 120.7314 56.4356 33.7645 177.7996 551 A 4.0457 8.3710 120.2977 55.4695 18.8499 179.0590 552 T 4.0256 8.6145 113.2371 66.9880 68.5379 177.3400 553 V 3.7608 7.6787 112.1727 63.5469 31.7017 176.7307 554 E 4.3044 7.6673 117.4050 56.4756 29.9603 175.9342 555 D 4.5249 7.7685 120.4800 53.3495 41.8828 176.2099 556 E 3.9111 9.1655 127.3955 59.7085 29.6006 179.3067 557 K 3.9922 7.8226 116.2103 58.7458 32.6596 176.9140 558 L 4.7794 7.4511 118.8152 55.0731 42.2336 179.0063 559 Q 3.6469 8.5171 116.3866 58.3977 29.0954 178.4621 560 G 4.0137 7.7887 107.1387 44.7155 0.0000 175.5177 561 K 4.3933 7.4938 118.2842 55.7675 31.2077 176.7634 562 I 4.0087 8.3207 116.1655 58.7673 41.8215 173.9393 563 N 4.4659 8.5674 125.9910 53.7747 40.7288 175.3625 564 D 4.3015 8.5480 126.2226 57.5504 40.9551 178.5776 565 E 3.9931 8.4008 117.9275 59.8661 29.7201 177.6309 566 D 4.4950 8.2996 119.2847 56.2278 40.9132 178.6584 567 K 4.0716 8.3347 117.4512 59.6388 32.2535 178.2405 568 Q 3.8828 8.2225 119.3749 59.7456 28.9430 178.9384 569 K 4.0138 8.5104 119.3172 59.7095 32.1251 178.8109 570 I 3.7012 7.7430 118.8448 64.6829 37.1641 177.9570 571 L 3.9267 8.5048 119.7891 58.6980 41.2918 178.8712 572 D 4.3290 8.8674 119.1208 57.4448 40.7425 178.5844 573 K 3.6724 8.5522 119.6410 60.3732 32.1285 178.6374 574 C 4.1720 8.7519 117.0751 62.7782 28.1264 175.4206 575 N 4.2375 8.7137 118.2350 56.5694 38.2343 177.0457 576 E 3.9547 9.1851 121.3249 60.1331 29.7628 178.1606 577 I 3.6587 8.4087 119.4753 64.3710 37.0849 178.1320 578 I 3.8588 8.5465 120.2254 65.2508 37.3072 178.4717 579 S 4.2184 8.3864 115.5480 61.3350 62.5257 176.8952 580 W 4.0310 8.4938 131.0198 60.4264 30.3178 177.7330 581 L 3.5661 8.6765 118.1826 58.1210 41.3349 178.7418 582 D 4.3482 8.1540 117.2508 57.3369 41.2872 178.1254 583 K 3.7320 8.0688 118.9178 59.8892 32.2150 178.6707 584 N 4.0207 7.6296 116.8648 56.4545 38.6074 176.7427 585 Q 3.8792 7.8744 119.8524 59.2469 28.7969 178.5228 586 T 3.7614 7.8815 115.6487 66.7553 68.1660 176.0153 587 A 3.9058 7.7247 121.8816 55.5942 18.2709 179.4391 588 E 3.6172 8.1789 116.6166 59.1768 29.5976 179.0598 589 K 4.0803 8.0345 119.4731 60.8817 32.1733 177.4972 590 E 3.7659 8.7911 116.7555 60.0568 29.1616 179.2785 591 E 3.8079 8.1233 116.9102 59.9248 29.9373 179.5475 592 F 4.5043 8.1749 117.5750 61.0681 38.9905 177.7990 593 E 4.0108 8.6845 116.4274 59.8717 29.6054 178.5549 594 H 4.2130 8.8266 118.3830 59.6307 29.9625 176.9679 595 Q 3.9661 9.0478 120.7219 59.2984 28.6687 179.1491 596 Q 4.0686 8.7971 120.4301 59.4053 28.9050 176.9530 597 K 4.1161 8.5322 122.0872 57.4813 31.8093 178.5618 598 E 3.7890 7.7031 121.0074 59.4682 30.2468 179.1128 599 L 4.0347 8.0262 120.2404 58.1699 42.1153 178.4478 600 E 3.8814 8.3534 118.1980 60.1199 29.3451 179.9827 601 K 3.9996 7.9445 117.0393 59.5893 32.1911 178.6738 602 V 3.7841 7.4895 117.3192 65.7327 31.7991 177.3502 603 C 4.3035 7.9665 115.5786 62.1080 28.2671 175.2197 604 N 4.0639 8.4630 118.6906 56.2298 38.8524 174.6024 605 P 4.3070 0.0000 0.0000 66.1599 31.3655 178.1098 606 I 3.7290 7.8505 120.1610 64.0153 37.0260 178.1345 607 I 3.6234 7.9634 120.4792 64.6362 36.9165 178.6085 608 T 3.7540 8.3051 116.9640 66.4112 67.7471 176.6541 609 K 3.9610 7.6095 121.1460 59.1257 31.9102 178.1586 610 L 4.2937 7.7215 119.2065 56.8947 42.2541 177.1355 611 Y 4.4536 8.0044 114.4645 58.3939 38.2802 175.6917 612 Q 4.5429 8.0937 117.8680 56.1380 31.2246 176.3905 613 S 4.5980 7.3403 113.8837 56.6859 61.7431 174.0126 614 A 4.1364 7.8170 125.8545 52.2999 18.1041 177.8582 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 537 R 8.24 4.21 0.00 1.82 1.89 0.00 3.32 0.00 0.00 3.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 538 G 9.14 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 0.00 0.00 0.00 0.00 539 S 8.43 3.51 0.00 3.88 3.92 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 0.00 540 H 8.43 4.54 0.00 3.27 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *542 L 8.47 4.20 0.00 1.84 1.79 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 543 E 8.05 4.16 0.00 2.35 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 0.00 2.38 2.34 0.00 544 S 7.46 4.11 0.00 4.24 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 0.00 545 Y 8.22 4.13 0.00 3.12 3.06 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 0.00 546 A 8.57 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.10 0.00 3.35 3.20 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 0.00 548 N 8.02 4.35 0.00 2.89 2.75 0.00 0.00 6.71 7.70 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 *550 K 8.22 4.08 0.00 1.88 1.94 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.38 7.81 551 A 8.37 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 4.03 4.21 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 1.19 0.00 0.00 553 V 7.68 3.76 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 0.70 0.00 0.00 0.98 0.00 0.00 554 E 7.67 4.30 0.00 2.21 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 2.27 2.29 0.00 555 D 7.77 4.52 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 3.91 0.00 2.08 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 2.38 2.41 0.00 557 K 7.82 3.99 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.67 7.81 558 L 7.45 4.78 0.00 1.64 1.59 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 559 Q 8.52 3.65 0.00 2.17 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 560 G 7.79 4.01 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 0.00 0.00 0.00 561 K 7.49 4.39 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.37 7.81 562 I 8.32 4.01 1.87 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 1.18 0.37 0.95 0.00 0.00 563 N 8.57 4.47 0.00 2.87 3.09 0.00 0.00 7.23 8.49 0.00 0.00 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 D 8.55 4.30 0.00 2.80 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 0.00 565 E 8.40 3.99 0.00 1.95 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 2.29 2.41 0.00 566 D 8.30 4.49 0.00 2.94 2.60 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 0.00 567 K 8.33 4.07 0.00 1.95 1.79 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.65 7.81 568 Q 8.22 3.88 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 569 K 8.51 4.01 0.00 1.97 1.83 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.80 7.81 570 I 7.74 3.70 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.62 0.94 0.00 0.00 571 L 8.50 3.93 0.00 1.72 1.72 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 572 D 8.87 4.33 0.00 2.78 2.66 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 0.00 573 K 8.55 3.67 0.00 1.85 1.84 0.00 1.44 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 574 C 8.75 4.17 0.00 3.16 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 0.00 575 N 8.71 4.24 0.00 2.91 2.89 0.00 0.00 6.79 7.45 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 0.00 576 E 9.19 3.95 0.00 1.98 2.10 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 2.34 2.38 0.00 577 I 8.41 3.66 2.11 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.88 0.98 0.00 0.00 578 I 8.55 3.86 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.25 1.14 0.00 0.00 579 S 8.39 4.22 0.00 4.07 3.98 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 0.00 580 W 8.49 4.03 0.00 3.47 3.40 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 0.00 581 L 8.68 3.57 0.00 1.98 1.76 1.20 1.69 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 0.00 582 D 8.15 4.35 0.00 2.80 2.87 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 0.00 583 K 8.07 3.73 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 584 N 7.63 4.02 0.00 1.51 1.88 0.00 0.00 7.32 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 Q 7.87 3.88 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 586 T 7.88 3.76 4.18 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 1.24 0.00 0.00 587 A 7.72 3.91 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 0.00 588 E 8.18 3.62 0.00 2.24 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 0.00 2.42 2.57 0.00 589 K 8.03 4.08 0.00 1.92 2.02 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.50 1.60 7.81 590 E 8.79 3.77 0.00 2.11 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 2.33 2.54 0.00 591 E 8.12 3.81 0.00 1.84 1.74 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 2.23 2.43 0.00 592 F 8.17 4.50 0.00 3.23 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 0.00 593 E 8.68 4.01 0.00 2.31 2.06 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 2.39 2.45 0.00 594 H 8.83 4.21 0.00 3.20 3.47 0.00 5.80 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 0.00 595 Q 9.05 3.97 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 596 Q 8.80 4.07 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 597 K 8.53 4.12 0.00 1.92 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 598 E 7.70 3.79 0.00 1.90 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 2.29 2.32 0.00 599 L 8.03 4.03 0.00 1.89 1.80 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 600 E 8.35 3.88 0.00 2.18 1.98 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 2.32 2.65 0.00 601 K 7.94 4.00 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 602 V 7.49 3.78 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 0.83 0.00 0.00 0.96 0.00 0.00 603 C 7.97 4.30 0.00 2.98 2.93 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 0.00 604 N 8.46 4.06 0.00 2.78 2.83 0.00 0.00 7.28 8.17 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 0.00 605 P 0.00 4.31 0.00 2.29 2.27 0.00 3.68 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 2.05 2.04 0.00 606 I 7.85 3.73 1.98 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 1.78 1.08 0.92 0.00 0.00 607 I 7.96 3.62 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 0.57 0.00 0.00 608 T 8.31 3.75 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 609 K 7.61 3.96 0.00 1.90 2.02 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 610 L 7.72 4.29 0.00 1.78 2.09 0.96 1.06 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 0.00 611 Y 8.00 4.45 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 Q 8.09 4.54 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.33 0.00 0.00 0.00 0.00 0.00 2.31 2.67 0.00 613 S 7.34 4.60 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 A 7.82 4.14 1.21 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.