NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.3686 0.0000 0.0000 62.1341 32.7743 175.6171 545 L 4.0998 8.4293 125.3411 52.9290 43.0706 174.7359 546 T 4.7000 8.4879 117.0586 59.3021 73.7005 174.4163 547 A 3.9805 8.5240 124.0715 55.8261 18.4467 180.2374 548 S 4.0272 8.0884 112.7975 62.2249 62.7105 176.8481 549 M 4.0987 7.3130 119.5429 58.0993 31.9460 178.3965 550 L 4.0770 8.3259 120.7897 58.1963 42.1554 178.9481 551 A 4.0872 8.6028 120.5266 54.6979 18.3836 178.8957 552 S 4.3089 7.8565 110.0817 58.5285 63.8834 174.2129 553 A 4.5267 7.0946 126.0745 49.8874 20.1243 175.3828 554 P 4.3165 0.0000 0.0000 62.4699 32.0766 175.5794 555 P 4.2112 0.0000 0.0000 65.8636 31.0029 178.4704 556 Q 4.1503 8.1435 114.4936 58.2965 28.6705 177.2078 557 E 4.5435 8.3323 119.3603 56.2857 30.9082 177.6607 558 Q 4.0087 7.8399 118.7173 59.1073 28.8134 179.1864 559 K 3.9656 7.9772 118.5757 59.5203 32.1809 178.7642 560 Q 3.9338 8.1790 119.2985 59.8076 28.2857 178.5929 561 M 4.1016 8.1626 119.4665 58.1907 31.9614 178.8202 562 L 4.1097 8.1492 119.3392 57.7888 41.8323 179.5315 563 G 3.8219 8.7343 106.0248 48.1952 0.0000 175.4981 564 E 4.0459 8.0157 119.7716 59.0321 29.4896 179.3901 565 R 4.1541 7.5290 116.7199 59.1566 30.5770 178.6676 566 L 4.1582 8.4271 119.2895 57.5061 41.6120 179.1891 567 F 4.1467 8.4929 121.0193 60.8076 39.3712 175.2397 568 P 4.1023 0.0000 0.0000 65.9773 30.7845 178.1034 569 L 3.9329 7.8516 118.2226 57.5932 41.5961 179.4964 570 I 3.7581 7.7722 119.6456 64.3761 36.8002 178.3483 571 Q 3.8631 7.9641 119.5055 58.7951 28.7815 177.6932 572 A 4.0548 7.6857 121.3558 55.4079 18.4467 179.1473 573 M 4.2574 7.3424 114.7322 57.4926 33.4909 177.0756 574 H 4.8657 8.1057 116.2530 53.1512 30.9257 171.6358 575 P 4.2224 0.0000 0.0000 65.6265 31.3689 178.6834 576 T 4.1614 7.8498 107.4438 63.3709 69.5921 175.1790 577 L 4.4666 7.5463 119.7375 54.5537 42.0371 178.2074 578 A 4.0304 8.1346 123.3902 55.2646 18.2179 180.4680 579 G 3.7483 8.2640 103.7835 47.9893 0.0000 175.9383 580 K 4.0295 7.9892 120.4056 59.3058 32.1766 179.4418 581 I 3.7228 8.2448 120.5048 64.6144 36.9687 178.7179 582 T 4.0268 8.4145 117.0624 66.6192 68.1186 176.9671 583 G 3.6743 8.2480 106.7588 48.0376 0.0000 175.3134 584 M 4.2425 8.3055 121.2957 58.3453 31.9849 178.9703 585 L 4.0996 8.3213 119.3759 57.4817 41.5987 178.9971 586 L 4.1673 7.9041 117.1633 56.3842 41.5507 178.1951 587 E 4.1241 7.8752 118.7572 57.3852 30.0477 176.8029 588 I 3.8875 7.3158 120.0625 60.7592 37.9939 176.1297 589 D 4.4987 8.5233 123.5004 53.7023 41.0751 177.3164 590 N 4.3041 8.8117 119.4295 56.8472 38.6697 177.6310 591 S 4.1483 7.9826 113.9359 61.1842 62.4806 175.6455 592 E 4.0067 8.1347 121.7814 59.0841 29.4316 178.4117 593 L 3.9867 7.8952 119.1945 57.8722 41.5056 179.5681 594 L 3.9899 8.0585 118.8316 58.0307 41.5585 178.9221 595 H 4.2577 8.0624 117.7127 59.5528 29.5139 177.1938 596 M 4.0259 8.1336 119.8116 58.3978 31.9303 178.5381 597 L 4.1063 8.0101 117.6011 56.7343 41.7875 177.4613 598 E 4.3860 7.5484 116.5214 55.5466 31.4234 175.3778 599 S 4.5504 8.1741 113.7082 55.4362 63.7793 172.4591 600 P 4.1981 0.0000 0.0000 66.0580 31.0175 178.2919 601 E 3.9483 8.0674 116.5098 59.4853 29.5171 179.0919 602 S 4.1300 7.5147 115.1393 61.7710 62.8646 176.7249 603 L 3.9543 7.8806 122.7861 57.9122 41.8037 178.9998 604 R 3.8664 7.9997 118.9954 59.3913 30.0875 178.6626 605 S 4.0983 8.1606 114.0495 61.5279 62.7817 176.4212 606 K 4.2225 7.7061 122.5043 58.3555 32.0301 179.2391 607 V 3.7160 8.1545 118.7414 66.2453 31.6723 177.6847 608 D 4.3985 8.6871 119.1987 57.3979 40.1584 178.5217 609 E 4.1607 8.3739 117.0249 58.4148 30.0210 178.7619 610 A 4.0303 8.0467 122.4996 54.9439 18.5020 179.7308 611 V 3.5150 7.5936 116.3488 65.9035 31.4847 177.8197 612 A 4.0001 7.6906 119.5058 55.2010 18.2257 179.4214 613 V 3.6779 7.1863 114.9620 66.2582 31.6948 178.0844 614 L 4.1116 7.5523 117.2612 56.4401 41.7555 177.6658 615 Q 4.0143 8.0620 119.7081 56.3506 29.6724 175.5139 616 A 4.1895 7.7109 126.6720 51.3288 18.5276 176.7021 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 4.37 0.00 2.06 2.06 0.00 3.64 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 8.43 4.10 0.00 1.69 1.56 0.93 0.64 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 0.00 546 T 8.49 4.70 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 8.52 3.98 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 0.00 548 S 8.09 4.03 0.00 3.88 3.94 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 0.00 0.00 0.00 549 M 7.31 4.10 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 550 L 8.33 4.08 0.00 1.91 1.77 0.93 1.01 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 0.00 551 A 8.60 4.09 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 0.00 552 S 7.86 4.31 0.00 4.08 4.16 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 0.00 0.00 0.00 553 A 7.09 4.53 1.30 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 0.00 0.00 554 P 0.00 4.32 0.00 2.32 2.21 0.00 3.72 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 2.24 2.00 0.00 555 P 0.00 4.21 0.00 2.17 2.16 0.00 3.60 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 2.12 2.16 0.00 556 Q 8.14 4.15 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 557 E 8.33 4.54 0.00 2.12 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 2.22 2.30 0.00 558 Q 7.84 4.01 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 559 K 7.98 3.97 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.44 7.81 560 Q 8.18 3.93 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 561 M 8.16 4.10 0.00 2.11 2.23 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 2.62 2.58 0.00 562 L 8.15 4.11 0.00 1.87 1.73 0.93 0.65 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 0.00 563 G 8.73 3.82 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 0.00 0.00 0.00 564 E 8.02 4.05 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 565 R 7.53 4.15 0.00 1.83 2.00 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 566 L 8.43 4.16 0.00 1.71 1.76 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 567 F 8.49 4.15 0.00 3.18 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 P 0.00 4.10 0.00 2.30 2.35 0.00 3.98 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 569 L 7.85 3.93 0.00 1.84 1.73 0.92 0.84 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 0.00 570 I 7.77 3.76 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.89 0.00 0.00 571 Q 7.96 3.86 0.00 1.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 572 A 7.69 4.05 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 0.00 573 M 7.34 4.26 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 574 H 8.11 4.87 0.00 3.10 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.86 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 4.22 0.00 2.16 2.18 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 576 T 7.85 4.16 4.26 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 1.22 0.00 0.00 577 L 7.55 4.47 0.00 1.82 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.13 4.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 K 7.99 4.03 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.83 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 8.24 3.72 1.87 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 1.48 0.82 0.90 0.00 0.00 582 T 8.41 4.03 4.54 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 0.00 0.00 0.00 1.35 0.00 0.00 583 G 8.25 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 0.00 584 M 8.31 4.24 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 2.84 2.59 0.00 585 L 8.32 4.10 0.00 1.95 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.90 4.17 0.00 1.63 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 587 E 7.88 4.12 0.00 2.13 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 7.32 3.89 2.00 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 1.36 0.66 0.92 0.00 0.00 589 D 8.52 4.50 0.00 2.90 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 0.00 590 N 8.81 4.30 0.00 2.76 2.93 0.00 0.00 6.71 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 4.15 0.00 3.89 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 0.00 592 E 8.13 4.01 0.00 2.13 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 2.39 2.48 0.00 593 L 7.90 3.99 0.00 1.88 1.73 0.99 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 0.00 594 L 8.06 3.99 0.00 1.92 1.73 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 595 H 8.06 4.26 0.00 3.19 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 8.13 4.03 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 597 L 8.01 4.11 0.00 1.77 1.74 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.55 4.39 0.00 1.94 2.12 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 2.21 2.35 0.00 599 S 8.17 4.55 0.00 3.90 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 0.00 600 P 0.00 4.20 0.00 2.16 2.16 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 601 E 8.07 3.95 0.00 1.97 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 2.39 2.34 0.00 602 S 7.51 4.13 0.00 3.85 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 7.88 3.95 0.00 1.93 1.80 0.92 0.79 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 0.00 604 R 8.00 3.87 0.00 2.16 2.01 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 605 S 8.16 4.10 0.00 4.10 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 0.00 606 K 7.71 4.22 0.00 2.04 1.93 0.00 1.89 0.00 0.00 1.50 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.37 7.81 607 V 8.15 3.72 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 1.07 0.00 0.00 0.99 0.00 0.00 608 D 8.69 4.40 0.00 2.83 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 0.00 609 E 8.37 4.16 0.00 2.20 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 2.49 2.39 0.00 610 A 8.05 4.03 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 0.00 611 V 7.59 3.52 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 1.00 0.00 0.00 0.79 0.00 0.00 612 A 7.69 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.19 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 0.95 0.00 0.00 614 L 7.55 4.11 0.00 1.81 1.70 0.90 0.77 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 0.00 615 Q 8.06 4.01 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 616 A 7.71 4.19 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