NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.2953 0.0000 0.0000 62.4473 31.7766 175.3714 545 L 4.1690 8.3719 126.3929 52.2157 42.7230 175.2103 546 T 4.4533 8.5574 118.7273 60.5120 72.7077 174.9386 547 A 3.9913 8.4497 123.8449 55.4440 18.2690 180.2740 548 S 4.0856 8.0110 112.3063 61.5723 63.0089 176.5843 549 M 4.0608 7.9541 121.7676 58.2210 32.0001 178.1370 550 L 4.0771 8.0915 118.9289 58.0999 41.6749 179.3531 551 A 4.0670 8.0320 119.4973 55.3799 18.2759 178.7899 552 S 4.2470 7.7129 111.8013 60.1957 63.4674 174.7407 553 A 4.2223 7.9857 124.1269 50.6181 18.9855 175.4238 554 P 4.2642 0.0000 0.0000 62.3596 31.8281 175.9185 555 P 4.4216 0.0000 0.0000 65.5260 31.3428 177.9887 556 Q 4.2192 8.0479 115.2268 57.6188 29.0851 176.6944 557 E 4.4666 8.3705 118.4328 56.7164 30.1571 177.8049 558 Q 3.9547 7.5934 117.9659 58.9141 28.8338 178.3393 559 K 3.8494 8.0806 118.8600 59.6895 32.0858 178.5883 560 Q 3.9357 8.1481 118.9633 59.7345 29.0136 178.3337 561 M 4.0557 7.9597 119.2889 58.5166 31.9625 178.8996 562 L 4.1914 8.0769 119.0081 57.7739 41.8801 179.7085 563 G 3.6659 8.7461 106.0398 48.0124 0.0000 175.5724 564 E 4.1514 8.4990 120.1717 58.8332 28.2779 179.1837 565 R 4.2307 7.5536 117.1202 58.6788 30.3391 178.8687 566 L 4.2225 8.1823 118.9470 57.5944 41.7115 178.8164 567 F 4.3730 8.5882 122.1893 60.2569 39.2286 175.1664 568 P 4.0455 0.0000 0.0000 66.1380 30.4245 178.1375 569 L 3.9501 7.3876 118.4446 57.4730 41.2923 179.5441 570 I 3.8962 7.9038 119.9570 64.0631 36.9129 178.1217 571 Q 3.5788 8.2380 119.8866 58.7993 28.8098 177.7324 572 A 4.0702 7.9580 121.5871 55.4066 18.4732 179.1875 573 M 4.1859 7.3268 114.2539 57.5075 33.7814 177.0523 574 H 4.8522 9.0366 115.0398 53.3218 29.5014 172.5253 575 P 4.2101 0.0000 0.0000 65.4851 31.8968 178.3493 576 T 4.2453 7.8889 106.5547 62.9201 69.6202 175.8467 577 L 4.6046 7.6966 120.3178 54.1519 42.0190 177.5777 578 A 4.1423 8.1571 123.2661 55.4553 18.1387 180.1806 579 G 3.6280 8.2473 103.2754 48.1865 0.0000 175.9600 580 K 4.0462 8.0354 121.3126 58.7620 32.1309 179.4965 581 I 3.7126 8.5286 120.5471 64.6739 37.1391 178.6301 582 T 4.0010 8.2924 116.7835 66.4850 68.0887 176.6570 583 G 3.9204 7.9088 106.4020 48.3177 0.0000 175.1441 584 M 4.2301 8.2679 121.6483 58.0909 32.0710 178.9670 585 L 4.0414 8.4469 119.3418 57.7003 41.5857 179.3176 586 L 4.2732 8.0944 117.9119 56.8920 41.5575 178.5923 587 E 4.0920 7.9795 119.0352 57.8968 29.8185 177.0022 588 I 3.9621 7.3795 119.1899 60.6725 38.0310 176.1058 589 D 4.5492 8.4180 121.9638 54.5621 42.6604 177.7041 590 N 4.3963 8.7044 119.8547 56.4942 38.7309 177.9215 591 S 4.3565 7.9793 115.2662 61.1638 63.3151 175.9974 592 E 4.0207 8.1391 122.5156 58.8797 29.4748 178.6530 593 L 4.0001 7.8884 119.3632 57.7419 41.4939 179.2263 594 L 4.0280 8.2032 118.2527 58.0629 41.7610 178.9480 595 H 4.5761 7.9677 118.9651 59.1059 29.7012 177.2290 596 M 4.0148 8.1532 119.2875 58.1559 31.8062 178.2141 597 L 4.1992 7.5911 117.4569 56.0566 41.7142 177.4014 598 E 4.2582 8.0888 116.9036 58.0091 30.9946 176.1909 599 S 4.4847 7.6000 119.5476 56.6985 62.9146 172.9402 600 P 4.3943 0.0000 0.0000 65.3412 31.0780 178.5224 601 E 3.8767 8.1479 117.4822 59.3529 29.3260 179.3470 602 S 4.2091 7.8938 115.2292 60.5590 63.3451 175.9200 603 L 3.8981 8.4571 124.3598 57.9837 41.7958 179.0485 604 R 3.9029 8.9145 119.9002 59.4964 29.8193 178.6786 605 S 4.2567 8.3644 114.3306 61.3428 63.1433 176.5796 606 K 3.9798 8.4142 122.4825 59.1608 31.7343 179.4930 607 V 3.6091 8.2788 118.9971 66.0106 31.4596 177.8075 608 D 4.3627 8.5915 119.3655 57.3846 40.7015 178.6383 609 E 4.0332 8.1740 117.3676 59.0249 29.7682 178.7082 610 A 3.9743 7.8944 121.5594 55.2899 18.2623 179.8305 611 V 3.5316 7.9329 116.2830 65.8783 31.3055 178.1520 612 A 4.0244 7.7695 120.0994 54.7305 18.2252 179.4982 613 V 3.6792 7.5823 116.3770 66.2242 31.7637 178.1296 614 L 4.0503 7.4892 116.8889 56.0592 41.4733 177.1778 615 Q 4.2617 7.5381 122.4632 56.1034 29.5902 172.9411 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 544 P 0.00 4.30 0.00 2.20 2.17 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 545 L 8.37 4.17 0.00 1.71 1.63 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.56 4.45 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 1.22 0.00 0.00 547 A 8.45 3.99 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 0.00 548 S 8.01 4.09 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.95 4.06 0.00 2.01 2.41 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 2.64 2.58 0.00 550 L 8.09 4.08 0.00 1.79 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.03 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.25 0.00 3.97 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 0.00 553 A 7.99 4.22 1.27 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 0.00 0.00 554 P 0.00 4.26 0.00 2.18 2.02 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 555 P 0.00 4.42 0.00 2.21 2.31 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 556 Q 8.05 4.22 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 557 E 8.37 4.47 0.00 2.13 2.01 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 2.24 2.32 0.00 558 Q 7.59 3.95 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 559 K 8.08 3.85 0.00 1.75 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.46 7.81 560 Q 8.15 3.94 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 561 M 7.96 4.06 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 562 L 8.08 4.19 0.00 1.89 1.72 0.93 0.75 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 0.00 563 G 8.75 3.67 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 0.00 0.00 0.00 564 E 8.50 4.15 0.00 1.94 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 0.00 2.37 2.36 0.00 565 R 7.55 4.23 0.00 2.18 1.98 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 566 L 8.18 4.22 0.00 1.76 1.77 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 567 F 8.59 4.37 0.00 3.14 3.17 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 0.00 568 P 0.00 4.05 0.00 2.24 2.23 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 569 L 7.39 3.95 0.00 2.01 1.74 0.92 0.77 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 0.00 570 I 7.90 3.90 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.95 0.00 0.00 571 Q 8.24 3.58 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 572 A 7.96 4.07 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 0.00 573 M 7.33 4.19 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 574 H 9.04 4.85 0.00 3.00 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.21 0.00 2.02 2.10 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.39 0.00 576 T 7.89 4.25 4.27 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 1.23 0.00 0.00 577 L 7.70 4.60 0.00 1.66 1.70 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.16 4.14 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 0.00 579 G 8.25 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.05 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 581 I 8.53 3.71 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.93 0.00 0.00 582 T 8.29 4.00 4.41 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 1.29 0.00 0.00 583 G 7.91 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 0.00 0.00 0.00 584 M 8.27 4.23 0.00 2.06 2.28 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 2.91 2.59 0.00 585 L 8.45 4.04 0.00 1.81 1.74 0.98 0.68 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 0.00 586 L 8.09 4.27 0.00 1.77 1.73 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 587 E 7.98 4.09 0.00 2.15 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 2.39 0.00 588 I 7.38 3.96 1.97 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 1.30 0.66 0.92 0.00 0.00 589 D 8.42 4.55 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 4.40 0.00 2.73 2.87 0.00 0.00 6.72 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 0.00 591 S 7.98 4.36 0.00 4.05 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 0.00 592 E 8.14 4.02 0.00 2.11 2.13 0.00 0.00 0.00 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 2.48 0.00 593 L 7.89 4.00 0.00 2.08 1.71 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 594 L 8.20 4.03 0.00 1.75 1.76 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 595 H 7.97 4.58 0.00 3.24 3.49 0.00 5.66 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 0.00 596 M 8.15 4.01 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 597 L 7.59 4.20 0.00 1.82 1.72 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 598 E 8.09 4.26 0.00 2.09 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 0.00 2.17 2.40 0.00 599 S 7.60 4.48 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 P 0.00 4.39 0.00 2.14 2.08 0.00 3.58 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 601 E 8.15 3.88 0.00 1.97 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 2.39 2.31 0.00 602 S 7.89 4.21 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 0.00 603 L 8.46 3.90 0.00 1.93 1.91 0.93 0.82 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 0.00 604 R 8.91 3.90 0.00 1.82 2.12 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 605 S 8.36 4.26 0.00 4.08 4.11 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 0.00 606 K 8.41 3.98 0.00 2.14 1.91 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.50 7.81 607 V 8.28 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 608 D 8.59 4.36 0.00 2.83 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 0.00 609 E 8.17 4.03 0.00 2.22 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 0.00 2.58 2.32 0.00 610 A 7.89 3.97 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 0.00 611 V 7.93 3.53 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 0.95 0.00 0.00 0.74 0.00 0.00 612 A 7.77 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 V 7.58 3.68 2.25 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 0.87 0.00 0.00 1.01 0.00 0.00 614 L 7.49 4.05 0.00 1.81 1.71 0.91 1.07 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 0.00 615 Q 7.54 4.26 0.00 2.04 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00