NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 E 4.2931 8.4449 120.2243 56.1487 31.3052 176.3848 504 R 4.0792 8.3205 117.8503 54.4153 32.2706 174.2019 505 P 4.1803 0.0000 0.0000 66.4362 31.7600 178.7855 506 L 3.8208 7.7912 116.4972 57.3684 41.5326 179.3658 507 D 4.2836 7.8264 118.9161 57.3014 40.6716 178.6346 508 V 3.5554 7.6554 117.4763 65.9548 31.8563 177.8031 509 I 3.6926 7.8645 119.8378 64.6236 37.0367 177.7732 510 H 4.0119 8.1950 119.4183 59.3793 29.4172 177.1820 511 R 3.9975 7.8968 119.3278 58.8840 30.0766 177.6249 512 S 4.5892 7.6891 113.0444 57.0325 63.1592 173.8531 513 L 4.1070 7.0188 122.8426 56.4129 41.7110 176.7911 514 D 4.5509 9.7076 122.4644 54.4069 40.6213 173.0656 515 K 4.7648 8.0272 116.8659 54.4241 35.9888 175.0011 516 D 5.0231 8.4944 121.8750 54.5940 41.9826 176.1089 517 V 4.9686 9.2312 115.9787 59.4834 37.0634 174.0824 518 L 5.0234 8.5889 123.1420 53.5274 44.7262 175.2396 519 V 4.3534 9.2692 128.0869 61.5979 33.0258 174.9621 520 I 4.4142 8.8498 131.2435 60.3493 36.5432 175.7364 521 L 4.4533 8.1997 127.3885 53.8105 42.6369 178.6505 522 K 4.0437 8.6767 121.1178 58.6147 32.5861 177.9001 523 K 4.2584 6.9719 116.5519 56.5956 32.1534 176.3513 524 G 4.2410 8.4939 110.5639 45.3739 0.0000 174.6962 525 F 4.8988 7.2237 113.8647 55.6251 40.5576 174.2655 526 E 5.2925 8.9421 117.9184 54.5618 33.9216 174.9591 527 F 5.3355 9.2029 119.1176 55.8780 42.5515 174.3925 528 R 5.0742 9.6251 123.8516 53.8566 33.0635 175.3864 529 G 4.1774 7.6807 111.4139 46.5638 0.0000 170.5491 530 R 4.9681 8.0766 120.8068 54.6382 31.5649 175.4151 531 L 4.7208 9.2604 130.1007 55.2707 42.9094 176.7701 532 I 4.6519 8.5809 117.7684 59.8212 39.1352 174.8664 533 G 4.1000 7.7295 108.9468 46.7856 0.0000 171.7812 534 Y 5.6286 8.2031 117.2950 58.0057 40.8562 171.5447 535 D 4.5078 8.3152 117.5795 52.7353 42.1725 176.0514 536 I 3.7591 8.4779 117.9656 64.4460 37.9430 176.2530 537 H 4.4388 8.4374 115.4189 56.3192 28.6229 175.9190 538 L 3.9589 8.1151 118.8127 54.6319 39.7233 174.1591 539 N 4.7865 8.1772 116.7686 53.6851 39.6559 174.4004 540 V 4.9067 8.5931 115.1250 59.5435 36.3396 174.5440 541 V 4.7546 8.6996 122.9379 61.1708 33.9419 174.4212 542 L 5.3593 8.9329 127.0285 52.8748 45.4008 175.2784 543 A 5.0371 8.5880 122.7625 50.3459 22.4474 175.6845 544 D 4.3408 8.4948 118.1868 55.4949 39.1272 173.6408 545 A 5.3155 8.2815 120.4534 50.6370 22.4398 177.3377 546 E 5.2691 9.3707 117.6849 54.8315 33.4808 174.3427 547 M 4.5454 9.4205 123.6617 55.1515 33.9792 174.7018 548 I 5.1312 8.6631 126.5163 59.6719 40.7435 174.5815 549 Q 4.8366 9.0656 125.1655 54.8140 33.0568 175.0313 550 D 4.4476 10.1002 120.9769 54.1531 38.5219 174.6994 551 G 3.9820 8.7234 106.1720 46.2584 0.0000 173.6912 552 E 4.7113 8.4531 119.0032 53.8354 32.8507 175.4301 553 V 4.1786 8.3150 121.5451 63.2587 31.9029 176.0477 554 V 4.3463 8.4930 120.0680 61.5254 33.6487 175.5165 555 K 4.3950 7.5397 119.5187 55.5326 35.4302 174.0453 556 R 5.1880 7.9764 122.0652 54.6522 34.0299 174.4993 557 Y 4.6581 9.5087 119.7606 56.2644 41.8518 176.5937 558 G 3.7065 9.0606 111.4259 49.1064 0.0000 173.1593 559 K 5.2548 7.8677 118.9629 55.1053 35.5377 175.2880 560 I 4.3773 8.8803 126.1152 59.6952 41.9268 173.3711 561 V 4.5282 8.2862 129.3843 61.5356 32.6715 174.5795 562 I 4.2247 8.2742 129.8710 59.4616 38.3010 177.0248 563 R 4.2882 8.1391 123.5191 55.8304 30.0564 178.7230 564 G 4.5687 8.2921 110.3527 47.6291 0.0000 175.4000 565 D 4.4841 9.4718 117.0837 55.7775 41.3686 176.0665 566 N 4.8031 7.9434 114.5096 53.6092 39.8696 174.3964 567 V 4.2676 7.4475 112.5971 61.0506 32.1484 175.8223 568 L 4.3918 9.4908 128.2785 56.9698 42.8674 176.0975 569 A 4.7172 7.5162 117.7508 51.0558 22.8183 174.5827 570 I 5.1040 8.1522 118.7164 59.7125 41.3115 175.2754 571 S 4.6397 8.7272 119.5118 55.9104 65.7424 171.4160 572 P 4.5512 0.0000 0.0000 63.9716 32.0859 176.6377 573 T 3.5898 8.9363 119.7685 63.9068 68.8083 171.7445 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 503 E 8.44 4.29 0.00 1.96 2.03 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 2.20 2.28 0.00 504 R 8.32 4.08 0.00 2.09 1.82 0.00 3.14 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 505 P 0.00 4.18 0.00 2.11 2.09 0.00 3.58 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 2.10 2.18 0.00 506 L 7.79 3.82 0.00 1.65 1.67 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 507 D 7.83 4.28 0.00 2.87 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 0.00 508 V 7.66 3.56 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 0.80 0.00 0.00 0.98 0.00 0.00 509 I 7.86 3.69 1.46 0.00 0.00 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 1.28 0.77 0.44 0.00 0.00 510 H 8.19 4.01 0.00 3.29 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 R 7.90 4.00 0.00 2.16 2.04 0.00 3.36 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 512 S 7.69 4.59 0.00 4.03 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 0.00 513 L 7.02 4.11 0.00 1.78 1.63 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 514 D 9.71 4.55 0.00 2.69 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 0.00 515 K 8.03 4.76 0.00 1.81 1.67 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.38 7.81 516 D 8.49 5.02 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 V 9.23 4.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 518 L 8.59 5.02 0.00 1.77 1.51 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 519 V 9.27 4.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 520 I 8.85 4.41 1.94 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 1.23 0.72 0.88 0.00 0.00 521 L 8.20 4.45 0.00 1.26 1.31 0.86 0.96 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 0.00 522 K 8.68 4.04 0.00 1.56 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.56 7.81 523 K 6.97 4.26 0.00 1.36 1.80 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.52 7.81 524 G 8.49 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 0.00 0.00 0.00 525 F 7.22 4.90 0.00 3.15 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 0.00 526 E 8.94 5.29 0.00 1.92 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 2.20 2.25 0.00 527 F 9.20 5.34 0.00 3.05 2.88 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 0.00 528 R 9.63 5.07 0.00 1.94 1.83 0.00 3.27 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 529 G 7.68 4.18 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 0.00 530 R 8.08 4.97 0.00 1.92 1.82 0.00 3.40 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 531 L 9.26 4.72 0.00 1.78 1.76 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 532 I 8.58 4.65 1.87 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 1.28 0.84 0.96 0.00 0.00 533 G 7.73 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 Y 8.20 5.63 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 0.00 535 D 8.32 4.51 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 I 8.48 3.76 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.73 0.00 0.00 537 H 8.44 4.44 0.00 3.33 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 L 8.12 3.96 0.00 1.85 1.92 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 539 N 8.18 4.79 0.00 2.93 2.74 0.00 0.00 6.81 7.68 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 0.00 540 V 8.59 4.91 2.10 0.00 0.00 0.00 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 0.90 0.00 0.00 541 V 8.70 4.75 2.15 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 1.02 0.00 0.00 0.90 0.00 0.00 542 L 8.93 5.36 0.00 1.50 1.50 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 543 A 8.59 5.04 1.22 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 0.00 0.00 0.00 544 D 8.49 4.34 0.00 2.80 2.75 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 0.00 545 A 8.28 5.32 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 0.00 546 E 9.37 5.27 0.00 2.04 2.15 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 2.26 2.31 0.00 547 M 9.42 4.55 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 548 I 8.66 5.13 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.96 0.00 0.00 549 Q 9.07 4.84 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.09 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 550 D 10.10 4.45 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 G 8.72 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 552 E 8.45 4.71 0.00 1.93 1.79 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 2.20 2.19 0.00 553 V 8.32 4.18 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 0.82 0.00 0.00 0.98 0.00 0.00 554 V 8.49 4.35 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 0.76 0.00 0.00 0.86 0.00 0.00 555 K 7.54 4.39 0.00 1.77 1.50 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 1.28 7.81 556 R 7.98 5.19 0.00 1.54 1.70 0.00 3.17 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 557 Y 9.51 4.66 0.00 2.87 2.94 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 0.00 558 G 9.06 3.71 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 0.00 0.00 0.00 559 K 7.87 5.25 0.00 1.74 1.64 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 560 I 8.88 4.38 1.52 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.97 0.68 0.00 0.00 561 V 8.29 4.53 2.02 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 0.82 0.00 0.00 0.89 0.00 0.00 562 I 8.27 4.22 1.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.19 0.90 0.00 0.00 563 R 8.14 4.29 0.00 1.83 1.88 0.00 3.36 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 564 G 8.29 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 D 9.47 4.48 0.00 2.62 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 0.00 566 N 7.94 4.80 0.00 2.77 2.77 0.00 0.00 7.13 7.68 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 0.00 567 V 7.45 4.27 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 0.62 0.00 0.00 1.02 0.00 0.00 568 L 9.49 4.39 0.00 1.46 1.84 0.90 0.94 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 0.00 569 A 7.52 4.72 1.20 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 0.00 0.00 0.00 0.00 0.00 570 I 8.15 5.10 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.95 0.00 0.00 571 S 8.73 4.64 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 1.97 1.96 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 573 T 8.94 3.59 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