NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 548 I 4.0878 8.0249 118.5525 58.6207 36.2407 174.9325 549 P 4.2947 0.0000 0.0000 61.7064 30.4412 176.7707 550 M 4.3445 8.6077 117.4650 56.5896 32.3079 177.3794 551 E 4.5940 8.0704 113.3351 58.1903 31.2754 176.8682 552 Y 4.0473 8.0291 116.6135 59.9415 38.8170 177.2931 553 A 4.1366 8.4673 125.5890 55.6696 18.5867 180.2090 554 K 4.0879 7.4179 115.4555 57.3395 31.7090 180.4185 555 M 4.3982 7.6223 114.5085 55.5565 32.5480 176.6129 556 W 4.5733 7.7761 120.0753 56.7382 29.9293 175.5772 557 K 4.8256 9.0692 121.4031 53.8506 35.1720 173.9423 558 P 4.5945 0.0000 0.0000 64.6511 31.6357 176.8281 559 G 4.0860 9.2493 111.2737 44.7686 0.0000 173.7516 560 D 4.6647 7.9247 120.0337 54.4608 41.9022 175.6482 561 E 4.8485 8.8479 122.6050 56.3728 31.0273 175.4586 562 C 4.7831 8.6747 116.7078 57.8321 33.6035 171.6847 563 F 5.1807 9.7451 117.7221 55.9604 41.0620 174.8317 564 A 5.4142 9.0059 125.6111 49.8208 21.9223 175.2145 565 L 4.0631 8.6261 124.0871 55.1041 42.9655 175.6910 566 Y 4.6552 9.5225 129.5510 56.3374 39.3007 176.1612 567 W 4.0831 8.5693 124.1219 59.4814 28.6390 177.6635 568 E 2.8900 5.9000 118.7331 57.7539 28.6678 176.8573 569 D 4.7180 6.7696 110.7144 51.8983 40.7171 175.2881 570 N 4.1110 7.9222 116.2511 54.7337 36.6364 173.7938 571 K 4.6464 7.9033 114.7465 54.5865 36.2906 175.5405 572 F 5.4486 8.5420 120.2878 56.7223 40.6014 175.0897 573 Y 4.9818 9.5524 122.0914 56.4025 42.7128 175.6472 574 R 3.7052 8.5132 122.0060 57.4888 30.4242 175.8418 575 A 4.9719 8.8101 125.1114 49.0036 23.4563 173.8168 576 E 4.8760 8.6389 119.8212 54.0870 32.7499 175.2778 577 V 3.5508 8.9114 127.5819 63.4740 31.9858 175.7096 578 E 4.4580 9.1728 127.6638 57.8086 31.0404 176.4901 579 A 4.7838 7.7610 119.0039 50.3500 23.0442 174.6545 580 L 4.9728 8.3939 120.1144 53.1102 43.8468 176.1386 581 H 4.5425 8.6897 124.0574 55.6877 30.6093 176.4935 582 S 4.1680 8.5141 118.5367 61.1496 62.9673 175.5257 583 S 4.1794 8.2783 114.6761 59.1067 62.3797 174.8622 584 G 3.9904 8.2555 109.7262 46.3342 0.0000 174.4308 585 M 4.3721 7.8308 117.6148 55.6071 32.3321 180.4146 586 T 5.4205 7.5260 105.3817 60.9377 73.1831 172.5786 587 A 4.8818 9.1439 122.6986 50.5554 23.1226 175.6457 588 V 4.4408 8.5126 121.7002 62.6582 33.0728 175.4829 589 V 4.8251 8.9132 119.7973 59.4384 36.5419 174.1197 590 K 4.4029 8.5530 124.5751 54.4570 34.1297 175.2667 591 F 4.5298 8.7338 127.2419 57.2986 39.3747 176.9989 592 I 3.6369 8.6011 125.5406 64.4548 37.3198 177.5247 593 D 4.2425 8.0907 118.9266 56.7891 40.8041 176.7515 594 Y 4.3848 7.6854 112.9540 57.0488 39.2046 176.7039 595 G 3.8621 8.5122 108.2062 45.4815 0.0000 173.0300 596 N 4.8005 7.8597 117.8841 52.5404 38.8607 173.7618 597 Y 4.9727 8.8587 120.5738 57.6807 39.1904 174.5881 598 E 4.9733 9.3740 121.8689 54.8523 34.8523 173.7059 599 E 4.9288 8.8048 122.5331 55.4474 30.9970 175.6524 600 V 4.7231 9.1260 119.1577 59.2320 36.5301 175.3154 601 L 4.5752 8.4630 122.5848 54.5551 42.3005 178.6273 602 L 4.1028 8.4694 122.1243 57.6816 41.8004 179.9406 603 S 4.2950 8.1759 112.2204 60.6718 63.4631 174.3315 604 N 5.1638 8.2963 118.3062 53.1552 38.5618 173.6900 605 I 5.0748 7.4423 119.0122 59.5669 39.5410 175.4201 606 K 5.0120 8.9848 124.8613 53.7936 36.4480 174.3279 607 P 5.1779 0.0000 0.0000 63.1754 32.6304 177.0413 608 I 4.3956 8.4212 117.1819 60.4510 35.5344 176.8494 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 4.09 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 4.29 0.00 2.50 2.15 0.00 3.46 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 550 M 8.61 4.34 0.00 1.94 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 2.10 0.00 551 E 8.07 4.59 0.00 1.88 2.04 0.00 0.00 0.00 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 2.28 0.00 552 Y 8.03 4.05 0.00 3.02 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 0.00 553 A 8.47 4.14 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 7.42 4.09 0.00 1.81 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.30 7.81 555 M 7.62 4.40 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 556 W 7.78 4.57 0.00 3.33 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 0.00 557 K 9.07 4.83 0.00 1.97 1.92 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.53 7.81 558 P 0.00 4.59 0.00 2.10 2.27 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 2.07 2.14 0.00 559 G 9.25 4.09 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 0.00 0.00 0.00 560 D 7.92 4.66 0.00 3.00 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 0.00 561 E 8.85 4.85 0.00 1.90 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 2.30 2.26 0.00 562 C 8.67 4.78 0.00 2.75 2.61 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 0.00 563 F 9.75 5.18 0.00 3.01 3.08 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 0.00 564 A 9.01 5.41 1.17 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 0.00 0.00 565 L 8.63 4.06 0.00 1.25 1.55 0.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 566 Y 9.52 4.66 0.00 2.78 2.98 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 0.00 567 W 8.57 4.08 0.00 3.47 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 0.00 568 E 5.90 2.89 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 1.91 1.88 0.00 569 D 6.77 4.72 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.11 0.00 2.87 2.88 0.00 0.00 6.73 7.64 0.00 0.00 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 7.90 4.65 0.00 1.86 1.42 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 572 F 8.54 5.45 0.00 2.98 3.23 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 0.00 573 Y 9.55 4.98 0.00 3.07 2.86 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 0.00 574 R 8.51 3.71 0.00 1.50 1.84 0.00 3.19 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 575 A 8.81 4.97 0.55 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 0.00 576 E 8.64 4.88 0.00 2.02 1.64 0.00 0.00 0.00 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 2.18 0.00 577 V 8.91 3.55 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 0.70 0.00 0.00 0.84 0.00 0.00 578 E 9.17 4.46 0.00 2.10 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 2.49 2.59 0.00 579 A 7.76 4.78 1.22 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 0.00 0.00 580 L 8.39 4.97 0.00 1.57 1.65 1.05 1.19 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 0.00 581 H 8.69 4.54 0.00 3.18 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 S 8.51 4.17 0.00 3.99 3.93 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 0.00 583 S 8.28 4.18 0.00 4.00 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 0.00 584 G 8.26 3.99 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 0.00 0.00 0.00 585 M 7.83 4.37 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.08 0.00 586 T 7.53 5.42 4.31 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 1.20 0.00 0.00 587 A 9.14 4.88 1.22 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 0.00 0.00 588 V 8.51 4.44 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 1.20 0.00 0.00 0.98 0.00 0.00 589 V 8.91 4.83 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 0.45 0.00 0.00 0.51 0.00 0.00 590 K 8.55 4.40 0.00 1.13 1.45 0.00 1.39 0.00 0.00 1.36 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.94 0.24 7.81 591 F 8.73 4.53 0.00 3.11 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 0.00 592 I 8.60 3.64 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.34 0.83 0.00 0.00 593 D 8.09 4.24 0.00 2.35 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 0.00 0.00 0.00 594 Y 7.69 4.38 0.00 2.94 2.85 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 0.00 0.00 0.00 595 G 8.51 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 7.86 4.80 0.00 2.98 3.06 0.00 0.00 6.17 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 8.86 4.97 0.00 2.91 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 0.00 598 E 9.37 4.97 0.00 2.19 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 2.79 3.12 0.00 599 E 8.80 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 2.35 0.00 600 V 9.13 4.72 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 0.87 0.00 0.00 0.99 0.00 0.00 601 L 8.46 4.58 0.00 1.76 1.63 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 602 L 8.47 4.10 0.00 1.85 1.89 1.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 603 S 8.18 4.29 0.00 4.06 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 8.30 5.16 0.00 3.02 2.99 0.00 0.00 6.65 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 I 7.44 5.07 1.64 0.00 0.00 0.46 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 0.66 -0.19 0.00 0.00 606 K 8.98 5.01 0.00 1.55 1.51 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.23 7.81 607 P 0.00 5.18 0.00 2.18 2.22 0.00 3.87 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 608 I 8.42 4.40 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 1.27 0.69 0.91 0.00 0.00