NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.2086 8.3645 123.5820 51.2447 19.3958 176.1603 502 P 4.3410 0.0000 0.0000 62.2504 31.6677 169.7709 503 V 3.6468 8.7313 113.8568 66.4585 32.1808 174.8766 504 I 4.1743 7.8400 116.7018 60.9083 35.3497 179.1268 505 N 4.9456 8.2846 117.8201 52.6794 40.1290 179.0956 506 I 3.7196 7.7517 124.4075 62.3225 36.0304 178.0123 507 E 4.5756 7.5564 117.2202 55.9504 32.3091 177.5354 508 D 4.7610 8.1383 121.3435 52.6925 42.7468 174.1621 509 L 4.8036 7.6363 120.8972 52.9660 46.4840 175.8439 510 T 4.5265 8.1702 110.1213 59.8010 70.8539 175.3479 511 E 4.2181 8.6116 118.0546 56.9137 29.2695 176.9567 512 K 4.5054 8.5530 118.4824 56.2809 35.0577 178.1006 513 D 4.4523 7.9857 118.7600 56.9356 40.5493 178.8263 514 K 4.0100 7.9694 119.2454 59.7620 32.7646 178.8515 515 L 4.0399 7.8501 123.6056 58.3886 41.9809 179.8173 516 K 4.0180 7.9368 123.1250 60.2045 31.9295 180.9443 517 M 4.3370 7.9743 120.2253 57.8072 31.7975 178.6609 518 E 3.9337 8.5880 120.2068 59.4163 29.9020 179.3050 519 V 3.6751 7.9134 112.4669 64.2792 31.4520 178.2364 520 D 4.3554 8.1405 118.8504 57.4823 40.7128 178.6329 521 Q 3.9708 7.9602 119.5012 59.2505 28.9595 178.3708 522 L 4.0346 8.0075 120.0000 57.6747 41.3941 179.6168 523 K 3.9565 8.3766 118.1816 59.1441 32.0863 179.0820 524 K 4.0988 7.9039 119.7048 59.5281 32.1139 178.8241 525 E 3.9836 8.2902 119.1655 59.3486 29.1650 179.6112 526 V 3.6289 7.9193 118.4156 64.5472 31.2241 176.9851 527 T 4.3776 7.2308 113.8461 62.8952 68.5891 174.7148 528 L 3.9333 7.8296 123.3321 54.9306 41.8850 176.8114 529 E 4.0967 8.7803 123.6610 56.3021 29.5178 176.2664 530 R 4.5342 8.3411 123.4690 54.5181 31.9160 175.9988 531 M 4.3550 8.3284 122.0934 54.4791 33.5294 176.2469 532 L 4.1545 8.2215 124.4003 54.4911 43.6585 178.5605 533 V 3.5894 8.4521 122.7379 66.1439 31.4101 178.4418 534 S 4.1357 8.0508 113.4309 61.4328 62.7770 176.4013 535 K 3.9273 8.0427 121.6697 59.5417 31.8837 178.9694 536 C 4.2468 8.0915 116.7846 62.9600 28.0009 176.0182 537 C 4.2450 8.6252 118.8548 62.6792 27.6870 176.0317 538 E 4.0369 8.6188 120.6660 59.5542 29.0474 179.2404 539 E 4.1707 8.2615 118.6507 59.1422 29.4397 179.3205 540 F 4.0452 8.4924 120.8323 61.2199 39.4876 176.9202 541 R 3.9870 8.6595 118.7748 59.7455 29.8521 177.9252 542 D 4.3335 8.5973 118.6403 57.5854 40.6650 177.9282 543 Y 3.9091 7.8609 118.5019 61.0465 38.9650 178.3813 544 V 3.6438 7.9051 118.7492 65.8084 31.3049 177.8770 545 E 3.9526 8.1657 118.3761 58.7457 29.7585 178.4680 546 E 4.4454 7.9113 116.2169 56.1498 31.0511 176.7658 547 R 4.4753 7.5105 117.7479 58.9959 36.1309 176.3327 548 S 4.1945 8.5382 114.1699 60.5810 62.7730 176.2615 549 G 3.6785 7.3834 109.0101 48.6789 0.0000 174.0753 550 E 4.2673 7.8216 118.1969 55.5266 29.7714 176.8692 551 D 4.4058 7.6417 118.7505 53.5036 41.3261 174.6372 552 P 4.2547 0.0000 0.0000 65.9036 31.3315 178.4766 553 L 4.0561 7.4857 113.6600 56.5255 41.4678 178.8227 554 V 4.0764 7.5601 117.2638 64.4991 32.5176 176.9163 555 K 4.3166 8.0452 114.9742 56.8575 33.3120 177.6582 556 G 3.8763 9.3603 110.0196 45.6535 0.0000 172.4545 557 I 4.3591 7.6651 115.6798 58.9536 40.7941 172.7266 558 P 4.4354 0.0000 0.0000 62.3212 32.2430 176.6616 559 E 3.9572 9.1784 120.2988 59.6879 29.1948 179.1435 560 D 4.4301 8.1770 117.2980 54.9644 39.3403 176.9420 561 K 4.3069 7.9568 117.5189 56.2143 33.3940 175.8353 562 N 4.4401 7.8793 118.3288 52.8165 38.7970 172.7657 563 P 4.1710 0.0000 0.0000 65.0353 32.0827 177.2106 564 F 4.7946 8.5088 118.1925 56.1044 38.9564 175.1788 565 K 4.6986 7.5007 133.9503 57.9569 33.6431 176.6659 566 E 4.4808 9.0036 117.2542 56.4553 27.9990 175.5868 567 L 4.6757 9.0626 117.4508 56.5208 44.3479 178.5079 568 K 4.2649 8.0486 123.2060 54.8110 31.7287 179.3488 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 501 A 8.36 4.21 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 0.00 502 P 0.00 4.34 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 503 V 8.73 3.65 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 0.86 0.00 0.00 0.93 0.00 0.00 504 I 7.84 4.17 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 1.27 1.10 0.91 0.00 0.00 505 N 8.28 4.95 0.00 2.69 2.59 0.00 0.00 6.75 7.27 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 0.00 506 I 7.75 3.72 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 1.27 1.09 0.91 0.00 0.00 507 E 7.56 4.58 0.00 1.92 1.72 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 2.09 1.81 0.00 508 D 8.14 4.76 0.00 2.55 2.54 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 0.00 509 L 7.64 4.80 0.00 1.60 1.48 0.92 0.92 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 0.00 510 T 8.17 4.53 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 1.24 0.00 0.00 511 E 8.61 4.22 0.00 1.93 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 2.29 2.36 0.00 512 K 8.55 4.51 0.00 1.74 1.69 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 513 D 7.99 4.45 0.00 2.87 2.70 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 0.00 514 K 7.97 4.01 0.00 1.98 2.06 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.49 7.81 515 L 7.85 4.04 0.00 1.87 1.70 0.92 0.91 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 0.00 516 K 7.94 4.02 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 517 M 7.97 4.34 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 518 E 8.59 3.93 0.00 2.09 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 2.30 2.34 0.00 519 V 7.91 3.68 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 0.73 0.00 0.00 0.97 0.00 0.00 520 D 8.14 4.36 0.00 2.86 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 0.00 521 Q 7.96 3.97 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 522 L 8.01 4.03 0.00 2.06 1.70 0.99 0.94 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 0.00 523 K 8.38 3.96 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.60 7.81 524 K 7.90 4.10 0.00 1.84 1.93 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 525 E 8.29 3.98 0.00 2.19 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 2.51 0.00 526 V 7.92 3.63 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 0.81 0.00 0.00 0.93 0.00 0.00 527 T 7.23 4.38 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 0.00 528 L 7.83 3.93 0.00 1.68 1.63 0.92 1.08 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 0.00 529 E 8.78 4.10 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 530 R 8.34 4.53 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 531 M 8.33 4.36 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 532 L 8.22 4.15 0.00 1.73 1.57 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.45 3.59 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 0.90 0.00 0.00 0.91 0.00 0.00 534 S 8.05 4.14 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.93 0.00 2.10 1.92 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 536 C 8.09 4.25 0.00 3.14 2.98 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 0.00 537 C 8.63 4.24 0.00 3.11 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 0.00 538 E 8.62 4.04 0.00 2.18 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 2.36 2.50 0.00 539 E 8.26 4.17 0.00 2.25 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 2.48 0.00 540 F 8.49 4.05 0.00 3.31 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 0.00 541 R 8.66 3.99 0.00 2.12 2.20 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 1.67 1.75 0.00 542 D 8.60 4.33 0.00 2.99 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 0.00 543 Y 7.86 3.91 0.00 2.98 2.99 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 0.00 0.00 0.00 544 V 7.91 3.64 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 1.01 0.00 0.00 0.56 0.00 0.00 545 E 8.17 3.95 0.00 2.12 1.97 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 2.57 2.46 0.00 546 E 7.91 4.45 0.00 2.02 1.96 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 2.18 2.33 0.00 547 R 7.51 4.48 0.00 1.74 1.77 0.00 2.93 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 548 S 8.54 4.19 0.00 3.86 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 0.00 549 G 7.38 3.68 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 0.00 0.00 0.00 550 E 7.82 4.27 0.00 1.94 1.96 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 2.27 2.21 0.00 551 D 7.64 4.41 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.21 2.12 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 553 L 7.49 4.06 0.00 1.82 1.73 0.92 0.88 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 0.00 554 V 7.56 4.08 2.22 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 0.91 0.00 0.00 0.96 0.00 0.00 555 K 8.05 4.32 0.00 1.94 1.90 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.44 7.81 556 G 9.36 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 0.00 0.00 0.00 557 I 7.67 4.36 1.89 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 1.49 0.61 0.95 0.00 0.00 558 P 0.00 4.44 0.00 2.59 2.16 0.00 3.79 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 2.08 1.96 0.00 559 E 9.18 3.96 0.00 2.18 2.30 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 2.38 2.34 0.00 560 D 8.18 4.43 0.00 2.78 2.86 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 0.00 561 K 7.96 4.31 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 562 N 7.88 4.44 0.00 2.86 2.92 0.00 0.00 7.16 7.85 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 0.00 563 P 0.00 4.17 0.00 1.81 1.86 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 564 F 8.51 4.79 0.00 3.09 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 0.00 565 K 7.50 4.70 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 566 E 9.00 4.48 0.00 2.00 1.16 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 2.17 1.86 0.00 567 L 9.06 4.68 0.00 1.60 1.53 0.92 0.67 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 0.00 568 K 8.05 4.26 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81