NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 540 K 4.5039 8.1576 124.0549 54.7824 34.7364 174.8620 541 T 4.8291 7.7203 108.2364 59.2883 71.4824 172.2400 542 C 4.1154 8.6146 123.0835 60.1035 32.8949 174.9781 543 L 4.5868 8.1864 123.9482 55.0006 41.9623 176.6747 544 I 4.2248 7.2300 116.5382 63.4401 39.0387 176.3870 545 C 4.1508 7.8219 114.6328 58.7548 30.4265 175.4961 546 G 4.3881 8.2598 106.8334 44.7555 0.0000 173.0920 547 D 4.7123 7.8063 122.8650 54.0999 40.2131 178.3990 548 E 4.5843 7.0597 115.6359 54.0263 31.5675 173.6139 549 A 4.9800 8.2783 128.1335 51.3826 20.0746 177.4454 550 S 4.6157 9.5086 115.1587 57.8273 65.4080 175.0110 551 G 3.7627 7.5033 106.2091 43.8824 0.0000 171.1584 552 A 4.6466 7.7948 123.2537 51.1860 20.1517 176.9381 553 H 4.5023 8.6871 119.3379 55.7260 32.7622 172.8921 554 Y 3.7198 8.7658 119.0724 57.6723 36.5321 171.6709 555 G 3.8076 7.6561 106.4284 45.1020 0.0000 171.8400 556 A 4.1283 6.8622 121.4450 50.4960 19.9798 178.0364 557 L 4.8923 8.7324 118.1656 55.1556 42.8461 177.0302 558 T 5.1094 8.3615 111.7055 59.9762 73.2155 173.1277 559 C 5.5417 8.0397 117.0432 56.5675 30.8915 174.5809 560 G 3.8112 8.7948 106.1839 48.2619 0.0000 175.7773 561 S 4.1746 7.9491 116.6063 61.2725 63.1696 175.8421 562 C 4.3079 8.2456 120.3471 62.9956 27.4297 175.2325 563 K 4.1427 8.2165 121.0227 58.8739 31.5269 178.5093 564 V 3.6430 7.9914 117.4142 66.3881 31.4957 178.2354 565 F 4.1364 9.6005 120.6113 61.2193 39.2737 176.4859 566 F 3.6416 8.5934 120.2576 61.9705 39.0929 176.6460 567 K 3.5370 7.7600 118.8524 58.3550 32.0302 178.5622 568 R 3.7814 7.9555 118.0590 59.8397 30.0073 178.4488 569 A 3.9663 7.5838 119.9490 54.7599 18.4804 179.3023 570 A 3.8792 7.3555 119.2213 54.1297 18.8090 179.3188 571 E 4.0986 7.8880 118.5273 59.0720 29.6316 178.5663 572 G 3.5563 7.6508 105.5176 47.1513 0.0000 176.1717 573 K 3.9233 6.8633 115.5637 55.3860 27.8738 175.6269 574 Q 4.2754 7.4560 127.7137 53.6809 30.1964 177.6691 575 K 4.1700 8.1388 126.0559 54.8580 29.2085 170.9950 576 Y 4.5085 7.5944 121.2576 57.4281 38.6347 175.3704 577 L 4.7109 8.4256 124.9170 52.6019 43.6430 176.1496 578 C 4.2360 8.7218 123.5409 59.7151 32.0363 172.9809 579 A 4.6379 8.4063 125.5805 52.5770 20.4845 177.1896 580 S 4.7379 7.3593 110.2560 58.1979 62.1431 174.4446 581 R 4.5062 8.7218 111.9811 55.6742 29.3083 176.7329 582 N 4.2777 8.3247 112.9619 54.9660 36.5743 174.4027 583 D 4.5930 7.8224 116.0951 53.5170 40.0893 175.6553 584 C 3.6558 7.6346 118.9823 59.1828 26.7680 173.4606 585 T 3.8311 8.4116 114.9500 62.1599 68.4504 173.6032 586 I 4.4103 8.0711 126.7624 59.4032 39.3164 174.4125 587 D 5.1385 8.6140 124.5341 53.9579 41.9116 176.9505 588 K 3.9157 8.6514 120.2991 57.9062 31.6790 174.4751 589 F 4.3911 8.4143 116.9818 59.4420 39.4055 176.7715 590 R 4.4290 8.8066 119.2519 57.3520 31.1430 179.2658 591 R 3.2984 8.1512 114.7524 58.7924 29.7858 177.7739 592 K 3.9923 8.0912 117.9853 59.4365 33.0487 178.5055 593 N 4.1742 8.4546 117.4969 56.2451 38.7361 174.5543 594 C 4.4541 7.7440 116.9463 56.3269 32.8331 172.0380 595 P 4.1317 0.0000 0.0000 65.9797 30.6869 177.6231 596 S 4.3687 8.2536 112.7330 61.5351 61.9102 175.8788 597 C 4.1376 7.9991 117.3678 62.9249 28.3331 175.4989 598 R 3.9202 7.9118 120.1040 59.4861 29.4579 177.6945 599 L 4.1972 9.0308 120.6440 58.7641 42.0437 179.5109 600 R 4.1950 8.2224 115.3122 59.1768 29.1868 178.5635 601 K 3.9724 8.2026 120.4298 59.5568 31.8393 178.3147 602 C 4.1315 8.1688 117.1004 62.5791 28.3840 174.8364 603 Y 4.5417 7.7416 117.5259 61.4527 37.3932 178.3488 604 E 4.0275 8.3950 118.3357 59.4599 29.7384 178.1595 605 A 4.5923 7.9483 117.8307 50.8091 17.8875 173.1322 606 G 3.8106 8.6600 118.0037 46.9266 0.0000 173.3212 607 M 4.3077 8.0525 121.8591 55.7114 34.5838 173.2450 608 T 4.6237 8.2274 117.1542 62.3764 70.8831 172.6032 609 L 4.7421 9.6377 121.0686 54.1156 43.0526 177.1817 610 G 3.7003 7.6107 112.7084 45.2328 0.0000 173.6225 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 540 K 8.16 4.50 0.00 1.47 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 541 T 7.72 4.83 4.48 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 1.22 0.00 0.00 542 C 8.61 4.12 0.00 3.14 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 0.00 543 L 8.19 4.59 0.00 1.64 1.62 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 544 I 7.23 4.22 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.88 0.00 0.00 545 C 7.82 4.15 0.00 3.04 3.11 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 0.00 546 G 8.26 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.71 0.00 2.59 1.87 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 0.00 548 E 7.06 4.58 0.00 2.08 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 2.20 2.26 0.00 549 A 8.28 4.98 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 0.00 550 S 9.51 4.62 0.00 3.91 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 0.00 551 G 7.50 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.65 1.16 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 0.00 0.00 553 H 8.69 4.50 0.00 3.26 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 Y 8.77 3.72 0.00 2.87 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.86 4.13 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 0.00 557 L 8.73 4.89 0.00 1.66 1.61 0.91 0.80 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 0.00 558 T 8.36 5.11 4.30 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 1.33 0.00 0.00 559 C 8.04 5.54 0.00 3.11 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 0.00 560 G 8.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.17 0.00 4.06 4.12 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 0.00 562 C 8.25 4.31 0.00 3.11 3.11 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 0.00 563 K 8.22 4.14 0.00 1.88 1.97 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.34 7.81 564 V 7.99 3.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 565 F 9.60 4.14 0.00 3.10 3.27 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 0.00 566 F 8.59 3.64 0.00 3.26 3.07 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 0.00 567 K 7.76 3.54 0.00 1.68 1.60 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.35 7.81 568 R 7.96 3.78 0.00 1.72 1.93 0.00 3.16 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 569 A 7.58 3.97 0.51 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 0.00 0.00 0.00 0.00 0.00 0.00 570 A 7.36 3.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 E 7.89 4.10 0.00 2.01 1.82 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 2.23 2.26 0.00 572 G 7.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.86 3.92 0.00 1.90 2.04 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.28 7.81 574 Q 7.46 4.28 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.39 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 575 K 8.14 4.17 0.00 1.77 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.04 7.81 576 Y 7.59 4.51 0.00 3.05 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 0.00 577 L 8.43 4.71 0.00 1.66 1.62 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 578 C 8.72 4.24 0.00 3.00 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 0.00 579 A 8.41 4.64 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 0.00 580 S 7.36 4.74 0.00 3.79 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 0.00 581 R 8.72 4.51 0.00 1.99 2.11 0.00 3.34 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 582 N 8.32 4.28 0.00 2.91 2.99 0.00 0.00 7.07 8.06 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 0.00 583 D 7.82 4.59 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 0.00 584 C 7.63 3.66 0.00 2.99 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 0.00 585 T 8.41 3.83 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 1.21 0.00 0.00 586 I 8.07 4.41 1.84 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 1.54 0.67 0.84 0.00 0.00 587 D 8.61 5.14 0.00 2.87 2.79 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 0.00 588 K 8.65 3.92 0.00 1.80 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.09 7.81 589 F 8.41 4.39 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 R 8.81 4.43 0.00 1.87 1.96 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 591 R 8.15 3.30 0.00 1.67 1.99 0.00 2.93 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 592 K 8.09 3.99 0.00 1.90 2.03 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.43 7.81 593 N 8.45 4.17 0.00 2.75 2.95 0.00 0.00 6.77 5.12 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 0.00 594 C 7.74 4.45 0.00 2.94 2.74 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 0.00 595 P 0.00 4.13 0.00 1.34 1.92 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 596 S 8.25 4.37 0.00 4.05 4.02 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 0.00 0.00 0.00 597 C 8.00 4.14 0.00 2.99 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 0.00 598 R 7.91 3.92 0.00 1.75 1.90 0.00 2.46 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 599 L 9.03 4.20 0.00 2.12 2.14 0.68 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 600 R 8.22 4.20 0.00 2.27 2.34 0.00 2.90 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 601 K 8.20 3.97 0.00 2.05 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.50 7.81 602 C 8.17 4.13 0.00 3.20 2.75 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 0.00 603 Y 7.74 4.54 0.00 3.12 3.03 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 0.00 604 E 8.40 4.03 0.00 2.06 2.29 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 2.37 2.40 0.00 605 A 7.95 4.59 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 M 8.05 4.31 0.00 1.06 1.67 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.11 0.00 608 T 8.23 4.62 4.38 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 1.31 0.00 0.00 609 L 9.64 4.74 0.00 1.77 1.78 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 610 G 7.61 3.70 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 0.00 0.00 0.00