NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 538 P 4.3844 0.0000 0.0000 61.8498 33.1733 175.2888 539 Q 4.4080 7.9555 117.0282 53.6856 30.4380 173.2934 540 K 4.4636 8.4032 122.6339 55.7968 34.4080 176.9794 541 T 5.0707 8.2746 114.9063 59.4369 71.7398 173.5463 542 C 4.3895 8.5689 124.6122 59.8319 32.1550 174.1261 543 L 4.1197 9.1295 127.9723 56.4878 41.8913 176.5121 544 I 4.2634 7.4279 116.1753 63.0722 39.2650 176.1845 545 C 4.1974 7.6834 113.9806 58.5106 30.6353 175.3396 546 G 3.8038 7.5549 107.0798 44.9369 0.0000 172.7749 547 D 4.4666 7.7056 119.1571 53.6319 42.9828 174.4349 548 E 4.3745 8.5703 121.1699 55.9951 29.7746 176.4611 549 A 4.1350 8.5564 129.6326 52.7861 18.7779 176.5020 550 S 4.3681 9.2396 116.5333 58.7255 63.2706 174.7510 551 G 3.9580 7.3359 103.2259 45.5033 0.0000 170.7701 552 A 4.5407 8.4996 122.3636 51.7821 18.7583 177.0839 553 H 4.4969 8.8722 119.6500 56.0053 31.5546 173.8351 554 Y 3.6777 8.1872 117.6463 58.3281 36.5196 173.4567 555 G 4.7289 7.4589 118.4952 46.5263 0.0000 171.9830 556 A 4.6842 6.7757 120.3845 49.3043 23.7273 174.5119 557 L 4.5906 8.5588 117.4084 55.8018 41.8052 177.0434 558 T 4.9441 8.5286 114.4838 59.6077 72.3758 173.9489 559 C 4.6170 8.4366 117.1453 56.9505 30.4817 174.0494 560 G 3.7268 8.4010 105.6157 48.5079 0.0000 175.2378 561 S 4.1771 8.1211 114.5525 61.1912 62.4887 176.1999 562 C 3.9877 8.0324 118.6733 63.3749 27.8228 175.5958 563 K 3.8943 8.0860 120.1615 60.2597 31.5804 178.3628 564 V 3.7092 8.0151 116.4519 66.3915 31.5335 178.0663 565 F 3.9153 9.5856 120.5692 61.8204 39.1128 176.4179 566 F 4.0129 9.7623 120.1587 59.7684 38.3220 177.8423 567 K 4.7030 7.4784 118.2241 59.7029 33.1740 177.2063 568 R 3.8505 8.0285 116.7946 58.7686 29.7266 177.5338 569 A 3.7173 7.4650 125.5918 56.1438 18.4354 179.6664 570 A 2.6837 7.0751 114.3882 53.1324 19.2912 177.0226 571 E 4.3255 7.3710 128.6016 54.1633 29.6746 175.9103 572 G 3.8453 7.7080 115.8737 46.0327 0.0000 172.8552 573 K 4.2728 8.1486 122.7701 53.2594 30.3653 176.7436 574 Q 3.6688 7.8881 125.9943 58.5753 29.7389 177.9553 575 K 3.7518 7.5058 115.2913 55.7036 28.6208 176.6763 576 Y 4.6849 7.3332 117.5314 57.9354 39.1608 175.6891 577 L 4.7560 8.2804 124.0098 53.2065 44.7332 175.9489 578 C 4.3467 8.6108 125.2956 59.1269 32.0748 172.3931 579 A 4.4349 8.0771 125.7365 54.0652 20.8192 179.0871 580 S 4.4344 8.1002 111.0403 59.1211 61.6060 176.0560 581 R 4.5864 8.8977 113.6105 56.5774 31.2256 174.8083 582 N 4.2719 8.3699 109.5995 53.8346 36.2957 175.5347 583 D 4.6326 7.6309 109.8686 53.3847 40.0826 175.2758 584 C 4.3541 8.2016 117.8417 60.7915 28.8126 172.8524 585 T 4.4474 8.2006 110.5779 60.0566 69.6087 173.6201 586 I 4.2623 8.2803 128.0641 59.6064 38.2999 174.8640 587 D 5.5277 8.0554 123.0752 50.4305 42.5470 176.7456 588 K 3.6168 7.9092 121.5281 59.2843 32.5812 176.8081 589 F 4.8541 7.3610 114.9085 57.6782 39.3337 176.4279 590 R 4.7103 8.8620 118.7134 55.7955 32.5674 177.1067 591 R 3.9195 7.9934 116.0518 58.7506 29.5818 178.1933 592 K 4.0505 7.9479 117.5523 59.0882 31.7020 177.1458 593 N 3.9468 7.0940 114.5855 55.3423 38.9933 175.1535 594 C 4.4284 7.6152 127.2108 57.3162 31.9927 172.4652 595 P 4.0755 0.0000 0.0000 65.8840 31.0431 177.3784 596 S 4.1807 8.3299 110.2081 62.2160 62.0057 175.5668 597 C 3.8973 8.0962 117.9239 63.8219 27.9430 175.6599 598 R 3.6557 7.7687 117.3779 59.8577 29.6971 177.2964 599 L 4.3314 8.7811 119.4416 58.6347 42.2621 179.3989 600 R 4.0976 8.6065 118.6447 59.6629 29.9779 178.0573 601 K 3.8958 8.7045 119.4558 60.1904 32.1120 177.9543 602 C 4.1606 8.3396 116.8938 62.9623 28.0450 175.3126 603 Y 4.2926 8.1850 117.6127 61.5458 37.3083 178.8598 604 E 4.0123 8.4887 119.3630 59.1647 29.9865 178.3320 605 A 4.2446 8.2898 118.8203 53.2004 18.3539 177.9647 606 G 3.8482 7.6640 105.0932 45.7838 0.0000 173.8314 607 M 4.2378 7.5705 119.0905 54.7538 32.5637 174.9277 608 T 4.1478 6.6698 114.1929 62.7820 70.8990 171.8536 609 L 4.6579 10.1874 122.4772 54.8702 43.3768 176.5382 610 G 3.2888 8.9251 110.5626 44.4069 0.0000 173.1132 611 A 4.0688 7.8462 129.5258 52.4683 18.6075 178.1013 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 538 P 0.00 4.38 0.00 2.05 2.14 0.00 3.60 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 1.92 2.08 0.00 539 Q 7.96 4.41 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 540 K 8.40 4.46 0.00 1.72 1.76 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.42 7.81 541 T 8.27 5.07 4.22 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 1.20 0.00 0.00 542 C 8.57 4.39 0.00 3.12 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 0.00 543 L 9.13 4.12 0.00 1.57 1.65 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 544 I 7.43 4.26 1.83 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 1.45 1.02 0.80 0.00 0.00 545 C 7.68 4.20 0.00 2.96 3.04 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 0.00 0.00 0.00 546 G 7.55 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.47 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.37 0.00 2.00 1.84 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 2.28 2.31 0.00 549 A 8.56 4.13 1.23 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 0.00 0.00 550 S 9.24 4.37 0.00 3.85 4.05 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 0.00 0.00 0.00 551 G 7.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.54 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 553 H 8.87 4.50 0.00 3.15 2.99 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 Y 8.19 3.68 0.00 2.76 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 0.00 555 G 7.46 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 A 6.78 4.68 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 0.00 557 L 8.56 4.59 0.00 1.60 1.65 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 558 T 8.53 4.94 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 1.27 0.00 0.00 559 C 8.44 4.62 0.00 3.09 3.06 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 0.00 560 G 8.40 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.18 0.00 3.92 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 0.00 562 C 8.03 3.99 0.00 3.26 3.02 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 0.00 563 K 8.09 3.89 0.00 1.74 1.97 0.00 1.53 0.00 0.00 1.14 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.57 7.81 564 V 8.02 3.71 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 0.99 0.00 0.00 1.03 0.00 0.00 565 F 9.59 3.92 0.00 3.19 3.27 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 0.00 566 F 9.76 4.01 0.00 3.34 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 0.00 567 K 7.48 4.70 0.00 1.78 1.91 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 568 R 8.03 3.85 0.00 1.78 1.70 0.00 3.16 0.00 0.00 3.19 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 569 A 7.47 3.72 0.90 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 0.00 570 A 7.08 2.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.37 4.33 0.00 2.02 1.84 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 2.21 2.23 0.00 572 G 7.71 3.85 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 0.00 0.00 0.00 573 K 8.15 4.27 0.00 1.78 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.01 7.81 574 Q 7.89 3.67 0.00 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 1.91 1.63 0.00 575 K 7.51 3.75 0.00 1.92 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.01 7.81 576 Y 7.33 4.68 0.00 3.02 2.83 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 0.00 577 L 8.28 4.76 0.00 1.60 1.54 0.94 0.95 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 0.00 578 C 8.61 4.35 0.00 3.01 2.83 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 0.00 579 A 8.08 4.43 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 0.00 580 S 8.10 4.43 0.00 4.00 3.40 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 0.00 581 R 8.90 4.59 0.00 1.93 1.93 0.00 3.36 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 582 N 8.37 4.27 0.00 2.83 2.87 0.00 0.00 6.97 8.06 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 0.00 583 D 7.63 4.63 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.35 0.00 2.98 2.93 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 0.00 585 T 8.20 4.45 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 0.00 586 I 8.28 4.26 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.79 0.00 0.00 587 D 8.06 5.53 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.62 0.00 1.32 0.81 0.00 1.69 0.00 0.00 0.95 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.71 1.19 7.81 589 F 7.36 4.85 0.00 3.18 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 0.00 590 R 8.86 4.71 0.00 1.91 1.85 0.00 3.15 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 591 R 7.99 3.92 0.00 1.72 1.92 0.00 2.94 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 592 K 7.95 4.05 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 593 N 7.09 3.95 0.00 2.86 2.73 0.00 0.00 6.88 7.56 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 0.00 594 C 7.62 4.43 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 1.27 0.75 0.00 3.58 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 1.72 1.87 0.00 596 S 8.33 4.18 0.00 4.00 3.88 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 0.00 0.00 0.00 0.00 597 C 8.10 3.90 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 3.66 0.00 1.58 1.93 0.00 2.63 0.00 0.00 2.25 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.24 0.00 599 L 8.78 4.33 0.00 2.26 2.14 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 600 R 8.61 4.10 0.00 1.97 2.19 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 601 K 8.70 3.90 0.00 1.95 1.94 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 602 C 8.34 4.16 0.00 3.44 3.14 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 0.00 0.00 0.00 0.00 603 Y 8.18 4.29 0.00 3.24 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 0.00 604 E 8.49 4.01 0.00 2.30 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 2.37 2.39 0.00 605 A 8.29 4.24 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 0.00 606 G 7.66 3.85 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 0.00 0.00 0.00 607 M 7.57 4.24 0.00 0.97 1.78 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 2.47 2.20 0.00 608 T 6.67 4.15 4.33 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 1.32 0.00 0.00 609 L 10.19 4.66 0.00 1.75 1.77 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 610 G 8.93 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 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