NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 D 4.5774 8.3644 120.5310 54.6801 42.1517 174.2238 547 V 3.9666 8.2431 117.6178 62.9513 31.8481 174.5845 548 L 4.5386 7.9589 118.7353 54.7682 43.7452 175.9817 549 A 3.9520 8.0270 122.5414 52.3271 18.5833 177.8916 550 G 3.8946 8.3863 111.9710 44.5335 0.0000 172.8262 551 L 4.4688 8.1526 119.1553 54.6614 42.6740 176.5372 552 T 4.6052 8.1856 115.8646 62.0307 71.5662 176.0674 553 A 4.4348 8.6944 126.4537 55.0137 18.2977 180.4348 554 R 4.0197 7.9760 116.6470 59.6248 30.3868 178.4784 555 E 3.8374 8.0749 117.8239 59.0632 29.4846 178.9613 556 A 4.0064 8.7434 121.3659 55.0175 18.4360 179.8578 557 K 3.8158 8.5654 117.3904 59.4528 32.1700 179.3465 558 V 2.3471 7.4608 118.7060 66.0414 31.1775 178.1859 559 L 3.7950 7.5679 117.7108 57.5944 41.3858 179.5877 560 R 3.8356 7.8914 118.2833 59.5797 30.0468 178.7123 561 M 3.9770 8.1394 117.8440 58.2261 32.3539 177.9974 562 R 3.7346 7.7132 118.9413 59.0085 29.8400 177.6403 563 F 4.8558 7.7747 114.0082 56.2807 39.4345 176.0764 564 G 4.0616 7.8171 108.3031 46.5955 0.0000 175.2746 565 I 3.7648 8.2337 118.7141 62.0207 37.2890 176.4529 566 D 4.5136 8.8420 126.2716 55.7401 38.0909 173.6632 567 M 4.9848 7.8238 115.6324 53.2558 35.9421 175.7151 568 N 4.5218 8.8952 118.6532 56.4546 38.9571 175.2972 569 T 4.8505 7.4576 105.3590 60.2035 72.0400 173.2720 570 D 5.1042 8.5703 122.4292 53.0108 41.5101 174.4422 571 Y 4.9022 8.3849 115.8617 56.0982 41.3475 176.0642 572 T 4.3266 9.5056 111.4066 60.8315 70.3522 175.9585 573 L 3.8938 8.6033 122.2064 58.0889 41.5656 179.1832 574 E 3.9245 8.2661 118.4803 59.7600 29.4572 178.7520 575 E 4.0983 8.0734 117.7975 59.1992 29.5494 179.5074 576 V 3.7988 8.2863 118.9340 65.9494 31.5952 177.7911 577 G 3.7881 8.4328 105.7064 48.0650 0.0000 175.3676 578 K 3.9551 8.0244 121.1009 59.0073 32.2818 179.0419 579 Q 4.0381 8.0864 117.0358 58.5618 28.8134 178.2563 580 F 4.4511 8.2166 114.7507 55.7483 41.0460 174.8980 581 D 4.4249 8.4659 117.9941 54.9458 39.6536 173.1083 582 V 4.5825 6.9709 112.8345 59.6217 36.6501 175.9511 583 T 4.2480 8.2377 119.0102 63.5387 69.0370 175.9650 584 R 4.0536 8.4202 122.2039 58.7722 30.0800 178.7891 585 E 4.0334 8.0658 119.1720 58.7983 29.8018 178.2531 586 R 3.9767 7.7966 118.4045 58.9470 30.0905 178.6677 587 I 3.6547 7.5839 119.5106 64.1803 37.2106 177.7739 588 R 3.8761 7.6728 119.4269 59.7088 29.9356 178.0703 589 Q 3.9915 8.0220 117.4801 59.3945 28.7073 179.3476 590 I 3.7114 7.8027 120.2038 64.3842 37.0761 178.4534 591 E 3.9569 8.7136 119.4614 59.5317 29.2460 179.1273 592 A 3.9800 8.3358 121.1053 55.1099 17.7661 179.7411 593 K 3.8538 7.9318 117.3694 59.7338 32.1627 179.0112 594 A 4.0861 8.0332 119.8417 55.1555 18.0621 179.3167 595 L 4.1071 8.2761 118.3038 57.5226 41.8795 179.1606 596 R 4.2148 7.8353 114.6318 57.4050 29.9978 178.0135 597 K 4.1978 7.7411 119.4470 58.3673 32.0603 177.7661 598 L 4.2737 7.4790 117.5209 56.4206 41.5926 177.8974 599 R 4.3957 7.5094 114.9312 55.6078 30.1333 175.4026 600 H 5.0079 7.2959 115.4408 53.0522 32.8195 171.1779 601 P 4.2202 0.0000 0.0000 63.8540 31.5978 177.0330 602 S 4.5920 8.5163 112.4402 58.0152 65.5790 176.5285 603 R 3.9455 8.2002 122.5670 59.7151 29.6146 178.2269 604 S 4.3105 8.0567 112.6043 60.3166 63.0763 175.7785 605 E 3.9711 8.4541 123.3523 59.5353 28.9286 179.2177 606 V 3.8425 7.5427 111.2007 63.0529 31.6692 176.6946 607 L 4.5279 8.2238 117.1617 54.3792 42.1534 175.6086 608 R 4.7575 7.5479 117.7271 54.1345 33.4546 174.4323 609 S 4.7739 8.5187 112.2562 56.4047 64.6906 174.8592 610 F 4.4342 8.8478 121.1882 58.6915 37.7389 176.2524 611 L 4.0348 6.6053 120.6289 55.5812 41.7436 177.3457 612 D 4.3588 7.8142 118.7115 54.9847 41.3116 176.2312 613 D 5.2752 8.0304 121.9864 55.6386 40.2046 174.3052 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 546 D 8.36 4.58 0.00 2.82 2.72 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 0.00 547 V 8.24 3.97 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 0.82 0.00 0.00 0.94 0.00 0.00 548 L 7.96 4.54 0.00 1.64 1.66 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 549 A 8.03 3.95 1.25 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 0.00 0.00 0.00 550 G 8.39 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.47 0.00 1.77 1.64 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 552 T 8.19 4.61 4.34 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 1.27 0.00 0.00 553 A 8.69 4.43 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.02 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 555 E 8.07 3.84 0.00 2.22 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 2.36 2.36 0.00 556 A 8.74 4.01 1.56 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 0.00 557 K 8.57 3.82 0.00 2.03 2.12 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.94 7.81 558 V 7.46 2.35 1.88 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 0.64 0.00 0.00 0.26 0.00 0.00 559 L 7.57 3.80 0.00 1.75 1.82 0.99 0.70 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 0.00 560 R 7.89 3.84 0.00 1.89 1.83 0.00 2.87 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 561 M 8.14 3.98 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.14 0.00 562 R 7.71 3.73 0.00 1.60 0.83 0.00 2.93 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.00 563 F 7.77 4.86 0.00 3.08 3.01 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 0.00 564 G 7.82 4.06 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 0.00 0.00 0.00 565 I 8.23 3.76 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.84 0.00 0.00 566 D 8.84 4.51 0.00 2.83 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 0.00 567 M 7.82 4.98 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 568 N 8.90 4.52 0.00 2.74 2.90 0.00 0.00 6.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 T 7.46 4.85 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 1.15 0.00 0.00 570 D 8.57 5.10 0.00 3.11 2.95 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 0.00 571 Y 8.38 4.90 0.00 2.78 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 0.00 572 T 9.51 4.33 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 1.20 0.00 0.00 573 L 8.60 3.89 0.00 1.70 1.76 0.92 0.68 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 0.00 574 E 8.27 3.92 0.00 2.04 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 2.41 2.44 0.00 575 E 8.07 4.10 0.00 2.27 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 0.00 2.39 2.36 0.00 576 V 8.29 3.80 2.18 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 0.94 0.00 0.00 0.97 0.00 0.00 577 G 8.43 3.79 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 0.00 0.00 0.00 578 K 8.02 3.96 0.00 1.78 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 579 Q 8.09 4.04 0.00 2.37 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 580 F 8.22 4.45 0.00 2.97 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 0.00 581 D 8.47 4.42 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 V 6.97 4.58 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 1.00 0.00 0.00 0.99 0.00 0.00 583 T 8.24 4.25 4.34 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 1.24 0.00 0.00 584 R 8.42 4.05 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 585 E 8.07 4.03 0.00 2.08 1.93 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 2.37 2.42 0.00 586 R 7.80 3.98 0.00 1.98 2.06 0.00 3.37 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 587 I 7.58 3.65 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.57 0.87 0.00 0.00 588 R 7.67 3.88 0.00 1.95 2.10 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 589 Q 8.02 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 590 I 7.80 3.71 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.87 0.00 0.00 591 E 8.71 3.96 0.00 1.99 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 2.40 2.54 0.00 592 A 8.34 3.98 1.38 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 0.00 0.00 0.00 593 K 7.93 3.85 0.00 1.96 2.06 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 594 A 8.03 4.09 1.38 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 0.00 0.00 0.00 595 L 8.28 4.11 0.00 1.88 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 596 R 7.84 4.21 0.00 2.00 2.17 0.00 2.78 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 597 K 7.74 4.20 0.00 1.90 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.50 7.81 598 L 7.48 4.27 0.00 1.96 1.69 0.97 0.83 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 0.00 599 R 7.51 4.40 0.00 1.87 1.95 0.00 2.97 0.00 0.00 3.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 600 H 7.30 5.01 0.00 3.16 3.17 0.00 5.70 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 0.00 601 P 0.00 4.22 0.00 2.05 2.04 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 602 S 8.52 4.59 0.00 3.96 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 0.00 603 R 8.20 3.95 0.00 1.84 2.05 0.00 3.29 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 604 S 8.06 4.31 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 0.00 605 E 8.45 3.97 0.00 2.03 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 2.57 2.53 0.00 606 V 7.54 3.84 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 0.77 0.00 0.00 0.96 0.00 0.00 607 L 8.22 4.53 0.00 1.71 1.69 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 608 R 7.55 4.76 0.00 1.81 1.85 0.00 3.23 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 609 S 8.52 4.77 0.00 3.76 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 0.00 610 F 8.85 4.43 0.00 3.29 3.34 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 0.00 611 L 6.61 4.03 0.00 1.22 1.49 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 612 D 7.81 4.36 0.00 2.65 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 0.00 613 D 8.03 5.28 0.00 2.75 2.92 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