NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.4181 0.0000 0.0000 62.3446 32.8445 174.7936 545 L 4.5295 8.1538 119.6725 51.2931 44.9131 174.2684 546 T 4.7190 8.5796 117.3857 59.2032 73.9179 174.3791 547 A 3.9319 8.4536 123.8339 55.5050 18.5938 179.6397 548 S 4.0008 8.1818 111.1070 62.2703 62.0792 176.2454 549 M 4.1456 7.7848 118.9821 58.1851 32.2343 177.6302 550 L 4.1091 8.6491 120.8306 57.8878 42.2138 178.5091 551 A 4.0740 8.4029 119.6099 54.8362 18.2069 179.1014 552 S 4.1854 7.3588 112.1755 60.5699 63.2414 174.8641 553 A 4.6752 7.0527 122.1629 49.6305 20.8251 175.4457 554 P 4.4901 0.0000 0.0000 62.1794 33.4666 175.7292 555 P 4.1254 0.0000 0.0000 66.1808 31.2723 178.4862 556 Q 3.9633 8.0263 117.6061 59.1927 29.1336 177.7280 557 E 3.9104 8.1641 119.9058 59.2820 29.5837 178.6167 558 Q 4.0142 8.2060 118.2625 58.9664 28.7272 179.0480 559 K 3.9804 8.1199 119.4759 59.3076 32.0740 179.1168 560 Q 3.9487 8.2939 120.0520 59.5582 29.0977 178.4567 561 M 4.0592 8.5608 119.8654 58.4830 31.9310 178.8281 562 L 4.2355 8.3784 119.6263 57.6524 41.6874 179.7353 563 G 3.6574 8.5265 106.1994 47.8741 0.0000 175.4609 564 E 4.0271 7.9852 119.9785 59.3870 29.6670 179.3176 565 R 4.1966 7.7244 116.5330 58.6662 30.2356 179.0956 566 L 3.9874 8.2535 119.1831 57.6898 41.7511 179.0408 567 F 4.3332 8.4758 122.2862 60.4713 39.3156 175.5020 568 P 4.2678 0.0000 0.0000 65.1635 31.2427 178.6602 569 L 3.9448 7.3178 115.4261 57.8655 41.3940 179.6278 570 I 3.6886 7.8093 119.8177 64.1788 36.8099 178.1004 571 Q 3.7324 7.8347 119.6326 59.2367 28.8739 178.2985 572 A 4.0736 7.9729 120.5361 54.3778 18.4295 178.4636 573 M 4.4350 7.5246 113.6150 55.9042 33.3937 176.5939 574 H 4.7992 8.8497 120.3781 54.5116 31.3784 171.7448 575 P 3.9844 0.0000 0.0000 65.1176 32.1041 179.0797 576 T 4.0476 7.5241 108.9844 64.1200 69.0448 175.6297 577 L 4.8188 7.6010 121.4694 53.2320 42.8095 178.4196 578 A 4.0555 8.2814 122.6640 55.1777 18.4918 179.4256 579 G 3.9020 8.3260 103.6989 48.1625 0.0000 175.7783 580 K 3.9992 8.0700 120.9618 59.1093 32.1563 179.2645 581 I 3.7040 8.2233 120.3960 64.7881 36.8684 178.7065 582 T 4.0192 8.4566 116.9174 66.4059 68.0936 176.7088 583 G 3.9019 8.1094 106.8725 48.3669 0.0000 175.1933 584 M 4.2340 8.1625 121.2894 58.1201 32.1127 179.0120 585 L 3.9928 8.0985 118.9078 57.6420 41.5233 179.3928 586 L 4.1696 7.9821 117.9301 57.0344 41.5693 178.6321 587 E 4.1491 8.1564 117.8926 57.3895 29.8409 177.3724 588 I 3.8582 6.9202 119.7625 60.6697 37.9564 175.9654 589 D 4.3995 8.5936 122.2099 54.7389 42.5291 177.0905 590 N 4.2388 8.9848 123.7061 56.7969 38.5557 177.5002 591 S 4.0798 8.1616 113.7401 61.4268 62.5864 175.7318 592 E 4.0114 8.7198 120.8075 59.3912 29.3143 179.1543 593 L 3.9789 8.0449 118.9616 57.9189 41.5267 179.3856 594 L 3.9918 7.9977 117.7640 58.2746 41.8781 178.8210 595 H 4.2947 8.2773 117.8852 59.5968 29.7964 177.2134 596 M 4.0570 8.3475 120.6589 58.2814 31.6255 178.2231 597 L 4.2917 7.7488 116.2921 56.0487 41.7805 177.3920 598 E 4.5677 7.6177 117.5306 55.8559 30.2154 176.8554 599 S 4.4305 8.0161 115.5403 55.2943 63.5470 172.3367 600 P 4.2415 0.0000 0.0000 65.3744 31.2584 177.4848 601 E 3.9077 8.1166 117.3331 59.3522 29.5628 178.8853 602 S 4.1105 7.7217 114.2232 61.5324 62.8618 176.3804 603 L 3.9506 7.9587 123.2113 58.1939 41.7491 179.2677 604 R 3.9549 8.3503 116.5936 59.1024 29.3811 178.9604 605 S 4.0989 8.0536 114.9292 61.1816 62.9104 176.7007 606 K 4.2488 8.2048 123.5919 58.5236 31.8173 179.2594 607 V 3.5540 7.9376 118.6511 66.2965 31.3913 177.6166 608 D 4.3918 8.2573 118.4809 57.6090 40.5411 178.8724 609 E 3.9384 8.4691 118.9419 59.3289 29.3798 179.2057 610 A 3.9865 8.3217 121.2014 55.2268 18.2838 179.8807 611 V 3.4612 7.9414 116.4956 65.9824 31.3417 178.1218 612 A 3.9918 7.7902 119.8141 55.0535 18.2670 179.3746 613 V 3.6791 7.6832 115.9831 66.2494 31.7128 178.0979 614 L 4.2101 7.9554 117.3340 55.8163 41.5799 177.0630 615 Q 4.0862 7.3204 120.7654 55.3328 29.4754 175.4481 616 A 4.2220 8.5551 127.2043 52.4693 18.7338 176.6916 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 4.42 0.00 2.06 2.10 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 545 L 8.15 4.53 0.00 1.60 1.48 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.58 4.72 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 1.21 0.00 0.00 547 A 8.45 3.93 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 8.18 4.00 0.00 3.90 3.90 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 0.00 549 M 7.78 4.15 0.00 2.17 2.08 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 2.61 2.54 0.00 550 L 8.65 4.11 0.00 1.89 1.86 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.40 4.07 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 0.00 552 S 7.36 4.19 0.00 4.08 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 0.00 553 A 7.05 4.68 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.49 0.00 2.27 2.19 0.00 3.97 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 2.07 2.05 0.00 555 P 0.00 4.13 0.00 2.10 2.15 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 556 Q 8.03 3.96 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 557 E 8.16 3.91 0.00 2.07 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 2.40 0.00 558 Q 8.21 4.01 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 559 K 8.12 3.98 0.00 1.91 1.86 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.59 7.81 560 Q 8.29 3.95 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 561 M 8.56 4.06 0.00 2.05 2.21 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 2.79 2.58 0.00 562 L 8.38 4.24 0.00 1.68 1.73 0.96 0.98 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 8.53 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 564 E 7.99 4.03 0.00 2.25 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 2.36 2.36 0.00 565 R 7.72 4.20 0.00 1.99 1.98 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 566 L 8.25 3.99 0.00 1.89 1.77 0.95 1.23 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 0.00 567 F 8.48 4.33 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 0.00 568 P 0.00 4.27 0.00 2.20 2.11 0.00 3.77 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 569 L 7.32 3.94 0.00 2.03 1.69 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 570 I 7.81 3.69 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 1.38 0.88 0.89 0.00 0.00 571 Q 7.83 3.73 0.00 1.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 572 A 7.97 4.07 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 0.00 573 M 7.52 4.43 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 574 H 8.85 4.80 0.00 3.06 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.85 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 3.98 0.00 2.19 2.22 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 576 T 7.52 4.05 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 1.21 0.00 0.00 577 L 7.60 4.82 0.00 1.68 1.65 0.93 0.91 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 0.00 578 A 8.28 4.06 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 579 G 8.33 3.90 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 0.00 0.00 0.00 580 K 8.07 4.00 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.56 7.81 581 I 8.22 3.70 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.89 0.00 0.00 582 T 8.46 4.02 4.60 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 1.35 0.00 0.00 583 G 8.11 3.90 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 0.00 0.00 0.00 584 M 8.16 4.23 0.00 2.08 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 2.77 2.59 0.00 585 L 8.10 3.99 0.00 1.89 1.74 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.98 4.17 0.00 1.77 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 587 E 8.16 4.15 0.00 2.02 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 2.57 2.49 0.00 588 I 6.92 3.86 1.99 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 1.19 0.52 0.92 0.00 0.00 589 D 8.59 4.40 0.00 2.71 2.55 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 0.00 590 N 8.98 4.24 0.00 2.81 2.89 0.00 0.00 6.78 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 8.16 4.08 0.00 3.89 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 0.00 592 E 8.72 4.01 0.00 2.31 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 2.40 2.36 0.00 593 L 8.04 3.98 0.00 1.87 1.73 0.98 0.61 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 0.00 594 L 8.00 3.99 0.00 1.79 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 595 H 8.28 4.29 0.00 3.19 3.50 0.00 5.59 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 8.35 4.06 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 597 L 7.75 4.29 0.00 1.78 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.62 4.57 0.00 2.04 1.89 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 2.23 2.19 0.00 599 S 8.02 4.43 0.00 3.64 3.60 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 0.00 600 P 0.00 4.24 0.00 2.18 2.09 0.00 3.63 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 2.10 2.15 0.00 601 E 8.12 3.91 0.00 2.02 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 2.38 2.40 0.00 602 S 7.72 4.11 0.00 4.04 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 0.00 603 L 7.96 3.95 0.00 1.75 1.81 0.92 0.70 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 0.00 604 R 8.35 3.95 0.00 2.07 2.17 0.00 2.82 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 605 S 8.05 4.10 0.00 4.11 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 0.00 606 K 8.20 4.25 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.35 7.81 607 V 7.94 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 1.01 0.00 0.00 0.97 0.00 0.00 608 D 8.26 4.39 0.00 3.00 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 0.00 609 E 8.47 3.94 0.00 2.13 1.99 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 2.33 2.43 0.00 610 A 8.32 3.99 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 0.00 611 V 7.94 3.46 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 1.00 0.00 0.00 0.83 0.00 0.00 612 A 7.79 3.99 1.31 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 0.00 0.00 0.00 613 V 7.68 3.68 2.26 0.00 0.00 0.00 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 0.00 614 L 7.96 4.21 0.00 1.75 1.71 0.90 1.17 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 0.00 615 Q 7.32 4.09 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 616 A 8.56 4.22 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