NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 548 I 4.1000 8.0249 118.5517 59.0390 36.5695 175.8263 549 P 4.6785 0.0000 0.0000 60.7309 33.7923 176.3222 550 M 4.2788 8.4141 119.8332 59.7975 31.4330 176.1033 551 E 4.1223 8.1885 116.3525 59.2706 29.9917 178.0490 552 Y 4.1687 7.8396 116.5634 59.9445 38.5019 177.4163 553 A 4.0086 8.8987 124.5342 55.6351 18.2427 180.3746 554 K 4.0843 8.0050 117.9675 57.5031 31.8446 180.9013 555 M 4.3682 7.7265 114.8261 55.7829 32.2850 176.7468 556 W 4.6846 7.6235 120.1623 56.8314 30.0380 175.5383 557 K 4.8173 9.2360 120.6799 53.9887 35.3463 173.9828 558 P 4.6003 0.0000 0.0000 64.4740 31.6042 176.5715 559 G 4.0819 9.2627 111.5624 45.3245 0.0000 173.8252 560 D 4.5925 7.9924 120.3025 54.6510 41.6834 175.9592 561 E 4.7560 8.8154 123.1044 56.4020 31.0749 175.2225 562 C 4.5030 8.4405 116.3749 57.9897 33.8075 171.9697 563 F 5.8009 9.4850 118.5763 55.9915 40.8067 175.3302 564 A 5.4659 9.3830 124.7733 49.7739 22.5470 174.9107 565 L 3.9342 8.4436 123.6023 55.0300 42.7626 175.7440 566 Y 4.7732 9.2370 129.4064 56.3361 39.4026 176.4396 567 W 4.1494 8.5741 124.1070 59.3201 28.5325 177.0986 568 E 3.0469 5.9000 118.8272 57.7739 28.9577 176.5931 569 D 4.6303 7.0754 113.4487 51.7775 41.0213 174.4707 570 N 4.1301 7.8446 115.2603 54.9430 36.9153 173.8811 571 K 4.6849 7.8401 114.5948 54.5054 36.4184 175.9887 572 F 5.1566 8.4856 120.7812 57.1115 40.1165 174.9346 573 Y 4.9607 9.4861 122.0262 56.4414 42.8847 175.5112 574 R 4.7627 9.2770 121.8485 57.8644 30.5596 176.2910 575 A 5.0451 9.3440 125.7788 48.9504 23.4185 173.8467 576 E 4.9052 8.7780 119.9996 53.9628 32.5619 175.4750 577 V 3.7949 8.7459 127.8806 63.5156 32.0679 175.6862 578 E 4.5473 9.2907 127.1159 57.7586 31.5829 176.1514 579 A 4.7219 7.7169 118.1626 50.7932 22.7543 174.9925 580 L 5.0176 8.4398 119.1614 53.1580 44.7659 175.6711 581 H 4.7241 8.6675 122.5264 55.0063 30.7461 176.2836 582 S 4.3364 8.8005 120.1667 61.3817 62.6756 175.9739 583 S 4.1463 8.1575 114.5161 59.2896 63.0570 175.1715 584 G 3.9698 8.5370 108.5521 46.2499 0.0000 173.6935 585 M 4.6662 7.8913 121.0293 55.8165 34.5189 175.8314 586 T 5.2339 7.7877 106.7968 60.0668 73.1080 172.6002 587 A 5.0743 9.1662 122.8240 50.2957 23.3594 175.0516 588 V 4.6064 8.9977 120.4593 61.7882 33.1957 175.5146 589 V 4.7694 8.9005 120.9604 59.3239 35.6188 174.4438 590 K 4.4583 8.5803 124.0794 54.2881 34.4581 175.3944 591 F 4.4881 8.7575 127.3511 57.7122 39.3618 177.0648 592 I 3.7791 8.7094 124.7445 64.2999 37.4303 177.5793 593 D 4.2374 8.1450 119.1370 56.8273 40.7596 176.7072 594 Y 4.5427 7.5863 112.3759 57.0153 39.0531 176.3548 595 G 3.8551 8.1153 107.9339 45.8365 0.0000 173.0961 596 N 4.8381 7.9103 117.5012 52.3519 38.9549 173.5651 597 Y 5.0546 8.8805 120.3147 57.4517 39.4399 174.6718 598 E 4.9566 9.3737 121.8994 54.9319 34.8696 173.6782 599 E 4.9346 8.8218 123.3833 55.5243 30.8341 175.7664 600 V 4.6782 8.7730 119.7309 59.0842 36.2472 175.3629 601 L 4.5150 8.5455 123.7653 54.7104 42.4904 178.2363 602 L 4.2242 8.7167 123.6977 58.1280 41.7613 179.4297 603 S 4.5145 8.1863 110.5320 60.0030 63.4879 174.0373 604 N 5.2686 8.8779 119.0811 53.2614 39.7478 173.7247 605 I 5.0352 7.8123 119.4883 59.7433 39.1113 175.4303 606 K 4.9596 9.3850 124.6178 54.0250 36.4824 174.4074 607 P 4.7964 0.0000 0.0000 62.2427 32.5082 176.6822 608 I 3.1925 8.0804 121.0180 61.6163 37.0210 176.2904 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 548 I 8.02 4.10 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 1.41 1.21 0.91 0.00 0.00 549 P 0.00 4.68 0.00 2.47 2.12 0.00 3.59 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 2.23 2.25 0.00 550 M 8.41 4.28 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.16 0.00 551 E 8.19 4.12 0.00 1.79 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 2.12 1.92 0.00 552 Y 7.84 4.17 0.00 3.12 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 0.00 553 A 8.90 4.01 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 554 K 8.00 4.08 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.29 7.81 555 M 7.73 4.37 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 556 W 7.62 4.68 0.00 3.35 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 0.00 557 K 9.24 4.82 0.00 1.95 1.91 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.45 7.81 558 P 0.00 4.60 0.00 2.09 2.25 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 559 G 9.26 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 D 7.99 4.59 0.00 2.97 3.02 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 0.00 561 E 8.82 4.76 0.00 1.82 1.78 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 2.27 2.22 0.00 562 C 8.44 4.50 0.00 2.64 2.30 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 0.00 563 F 9.48 5.80 0.00 2.89 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 0.00 564 A 9.38 5.47 1.11 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 0.00 0.00 565 L 8.44 3.93 0.00 1.08 1.50 0.31 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 9.24 4.77 0.00 2.64 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 0.00 567 W 8.57 4.15 0.00 3.41 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 5.90 3.05 0.00 1.16 1.12 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 1.85 1.64 0.00 569 D 7.08 4.63 0.00 2.73 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 0.00 570 N 7.84 4.13 0.00 2.82 2.89 0.00 0.00 6.69 8.74 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 0.00 571 K 7.84 4.68 0.00 1.68 1.31 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.54 7.81 572 F 8.49 5.16 0.00 2.72 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 0.00 573 Y 9.49 4.96 0.00 3.11 2.90 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 0.00 574 R 9.28 4.76 0.00 1.50 1.85 0.00 3.19 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 575 A 9.34 5.05 0.56 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 0.00 576 E 8.78 4.91 0.00 1.89 1.66 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 2.14 2.16 0.00 577 V 8.75 3.79 2.20 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 0.88 0.00 0.00 0.62 0.00 0.00 578 E 9.29 4.55 0.00 2.09 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 0.00 2.45 2.57 0.00 579 A 7.72 4.72 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 580 L 8.44 5.02 0.00 1.55 1.62 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 581 H 8.67 4.72 0.00 3.30 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.80 4.34 0.00 3.97 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 0.00 583 S 8.16 4.15 0.00 4.06 4.17 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 0.00 0.00 0.00 0.00 584 G 8.54 3.97 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 0.00 0.00 0.00 585 M 7.89 4.67 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 586 T 7.79 5.23 4.24 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 1.19 0.00 0.00 587 A 9.17 5.07 1.20 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 0.00 0.00 588 V 9.00 4.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 589 V 8.90 4.77 1.78 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 0.47 0.00 0.00 0.52 0.00 0.00 590 K 8.58 4.46 0.00 1.08 1.35 0.00 1.34 0.00 0.00 1.08 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.00 0.58 7.81 591 F 8.76 4.49 0.00 3.08 2.81 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 0.00 592 I 8.71 3.78 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.88 0.00 0.00 593 D 8.15 4.24 0.00 2.30 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 0.00 0.00 0.00 594 Y 7.59 4.54 0.00 2.94 2.82 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 0.00 595 G 8.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 N 7.91 4.84 0.00 2.98 3.06 0.00 0.00 6.13 7.57 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 0.00 597 Y 8.88 5.05 0.00 2.92 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 E 9.37 4.96 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.15 0.00 599 E 8.82 4.93 0.00 2.00 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 2.26 2.43 0.00 600 V 8.77 4.68 2.15 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 0.87 0.00 0.00 0.91 0.00 0.00 601 L 8.55 4.51 0.00 1.77 1.65 0.96 0.64 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 0.00 602 L 8.72 4.22 0.00 1.83 1.94 1.13 0.56 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 0.00 603 S 8.19 4.51 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 604 N 8.88 5.27 0.00 2.83 2.91 0.00 0.00 6.75 7.29 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 0.00 605 I 7.81 5.04 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.01 0.00 0.00 606 K 9.38 4.96 0.00 1.67 1.67 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.31 7.81 607 P 0.00 4.80 0.00 1.98 2.07 0.00 3.77 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 2.06 2.22 0.00 608 I 8.08 3.19 1.75 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.77 0.00 0.00