NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 434 M 4.3050 8.3044 120.3267 56.2934 33.0150 175.6112 435 K 3.6648 8.7416 126.1841 55.9532 30.5305 174.9878 436 P 4.6158 0.0000 0.0000 60.5496 31.4178 175.2509 437 A 4.2532 7.9387 135.0000 51.4592 17.9819 174.1160 438 R 3.8565 7.7805 129.4236 53.9884 30.5160 175.0600 439 P 4.9472 0.0000 0.0000 61.6937 32.3757 175.7984 440 C 4.0948 9.1539 122.3889 59.4467 31.7259 174.3584 441 L 3.9642 8.5174 129.7086 57.6611 41.2103 177.2550 442 V 3.7993 6.5372 118.1341 64.5133 31.6399 176.9523 443 C 4.4627 7.3914 117.6899 57.0430 30.0569 174.1221 444 S 5.4753 7.9566 126.3790 58.1221 63.9502 176.7619 445 D 4.4283 7.4907 119.9597 54.4964 42.6029 175.5271 446 E 4.5620 8.8659 122.1637 56.7160 29.5808 176.8297 447 A 4.3619 8.2942 128.1166 52.5938 19.6815 177.3228 448 S 4.2557 8.7168 110.7985 58.5322 64.2576 170.9379 449 G 3.8106 8.6208 122.2570 44.5464 0.0000 171.2902 450 C 3.8294 8.5691 119.0789 60.6670 28.7813 173.3227 451 H 4.8237 8.9244 121.0255 55.5354 31.6460 173.1650 452 Y 3.7576 8.8640 119.5812 58.2792 35.7113 171.8693 453 G 3.9814 8.5961 110.4993 45.6642 0.0000 174.7714 454 V 4.5644 7.9788 117.5751 59.2639 35.9278 174.9556 455 L 4.4464 8.4560 121.0696 55.5248 42.3397 176.5421 456 T 5.1159 8.3567 113.3718 59.9075 72.9485 173.3987 457 C 4.8238 8.7149 117.8208 57.3154 30.9904 174.8017 458 G 3.6500 8.5739 105.9143 48.0951 0.0000 175.5204 459 S 4.2592 8.1189 117.3738 61.6167 62.8959 175.9275 460 C 4.2869 8.1917 118.7855 62.9599 27.8366 176.1665 461 K 4.1130 8.3511 121.1054 59.9864 31.7992 179.4053 462 V 3.7842 7.7529 112.4728 63.9369 31.2968 178.5866 463 F 4.4267 8.2587 120.9016 61.4914 38.8881 177.1044 464 F 3.5754 8.3722 120.2417 60.6731 38.7752 177.0091 465 K 3.3180 7.5809 119.6072 59.1146 30.4831 178.8571 466 R 3.8536 8.1621 119.0293 59.0962 29.7793 178.1432 467 A 4.0429 8.2817 120.2570 54.0811 18.4101 179.2771 468 V 3.6945 6.4855 109.8277 63.5951 32.1695 177.1827 469 E 3.8729 7.5520 118.6648 58.9602 29.8440 177.5072 470 G 3.8164 7.2787 107.0935 44.4240 0.0000 172.8488 471 Q 4.0471 8.3446 121.4715 56.2296 29.3701 173.9960 472 H 4.1697 8.1021 119.5143 56.3953 30.6742 173.5538 473 N 3.8197 7.1316 114.3346 53.5020 35.4260 173.2997 474 Y 4.4120 7.2714 117.3054 57.7612 39.2538 176.0429 475 L 4.6832 8.2449 120.1956 52.9570 44.4943 176.3350 476 C 4.2316 8.8390 124.7150 59.4388 31.9295 172.6029 477 A 4.7081 8.6132 130.0433 51.9796 19.4534 177.1652 478 G 3.8343 7.6326 110.6948 47.0523 0.0000 175.3643 479 R 4.5132 8.5530 116.5430 57.7123 30.6543 175.5899 480 N 4.2448 8.2813 109.4391 53.6046 36.7886 175.3055 481 D 4.6606 7.4688 110.8013 51.9183 39.6653 175.5328 482 C 4.3823 7.9663 116.7717 59.9790 29.3610 174.4086 483 I 3.9253 8.2616 125.1577 61.7678 37.3481 176.1809 484 I 4.5469 7.9968 125.3619 60.7419 38.3469 175.4043 485 D 4.6787 8.0095 119.8455 52.4828 40.2017 176.4139 486 K 3.7868 8.6503 119.7643 59.5987 31.5387 176.6711 487 I 3.9741 6.9134 119.2435 63.0791 37.8669 177.1544 488 R 4.0737 8.3032 118.7041 57.7423 30.3386 178.9978 489 R 4.0509 7.8487 115.3144 58.2100 29.5674 178.0092 490 K 4.0343 7.8641 117.5170 58.6729 32.7184 177.5852 491 N 4.2795 7.7811 115.7442 56.2382 38.6655 175.9149 492 C 4.6552 7.5836 122.1271 56.0406 32.4774 171.9407 493 P 4.2280 0.0000 0.0000 63.6963 30.8664 177.6939 494 A 4.1782 7.7725 121.1963 54.9457 18.5892 178.9692 495 C 4.0892 7.9222 114.6446 62.3565 28.7005 175.8812 496 R 4.0525 7.9898 120.3331 59.6015 29.6264 177.9916 497 Y 4.1558 8.1083 119.4895 60.7433 38.8710 177.7858 498 R 3.8468 7.6605 119.3406 59.5048 30.1244 178.6086 499 K 3.9848 8.6092 118.5144 59.4403 32.1000 179.2476 500 C 3.8859 8.1002 117.1612 62.8149 27.9282 176.1703 501 L 3.8319 7.6992 118.8966 57.1488 41.2135 178.8417 502 Q 4.2529 7.8625 117.4739 57.2709 28.7884 176.6191 503 A 4.5188 7.5219 120.5173 51.4732 18.6979 177.6554 504 G 3.8175 7.4812 106.1773 47.4898 0.0000 174.7417 505 M 4.0829 7.2230 118.4083 55.5000 32.0360 175.4287 506 N 4.8542 9.0080 117.3280 52.8029 40.2483 175.1400 507 L 4.7109 8.8787 118.0470 54.8859 41.7585 176.5833 508 E 3.9382 9.0785 121.3797 55.8964 28.6009 176.3109 509 A 3.8457 8.0296 118.7221 51.1955 17.4498 178.2012 510 R 4.2426 8.2048 114.4403 56.6530 30.6727 176.0392 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 434 M 8.30 4.31 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 435 K 8.74 3.66 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.55 7.81 436 P 0.00 4.62 0.00 2.19 2.07 0.00 3.15 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 437 A 7.94 4.25 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 0.00 438 R 7.78 3.86 0.00 2.05 1.97 0.00 3.12 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 439 P 0.00 4.95 0.00 2.18 2.05 0.00 3.38 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 1.98 1.91 0.00 440 C 9.15 4.09 0.00 2.99 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 0.00 441 L 8.52 3.96 0.00 1.66 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 442 V 6.54 3.80 2.11 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 0.89 0.00 0.00 0.90 0.00 0.00 443 C 7.39 4.46 0.00 3.32 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 S 7.96 5.48 0.00 3.90 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 0.00 445 D 7.49 4.43 0.00 2.85 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 0.00 446 E 8.87 4.56 0.00 1.94 1.93 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 2.40 2.47 0.00 447 A 8.29 4.36 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 0.00 448 S 8.72 4.26 0.00 3.87 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 0.00 449 G 8.62 3.81 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 0.00 0.00 0.00 450 C 8.57 3.83 0.00 2.91 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 0.00 451 H 8.92 4.82 0.00 3.22 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 8.86 3.76 0.00 3.23 3.33 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 0.00 453 G 8.60 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 0.00 454 V 7.98 4.56 2.14 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 0.89 0.00 0.00 0.90 0.00 0.00 455 L 8.46 4.45 0.00 1.66 1.66 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.36 5.12 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 1.29 0.00 0.00 457 C 8.71 4.82 0.00 3.17 3.16 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 0.00 458 G 8.57 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 S 8.12 4.26 0.00 3.93 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 0.00 460 C 8.19 4.29 0.00 3.06 3.12 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 0.00 0.00 0.00 461 K 8.35 4.11 0.00 1.97 2.00 0.00 1.88 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.40 7.81 462 V 7.75 3.78 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 0.77 0.00 0.00 1.13 0.00 0.00 463 F 8.26 4.43 0.00 3.04 3.26 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 0.00 464 F 8.37 3.58 0.00 2.97 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 0.00 465 K 7.58 3.32 0.00 1.65 1.87 0.00 1.47 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.44 7.81 466 R 8.16 3.85 0.00 2.38 2.14 0.00 3.22 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 467 A 8.28 4.04 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 0.00 468 V 6.49 3.69 1.85 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 0.19 0.00 0.00 0.65 0.00 0.00 469 E 7.55 3.87 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 470 G 7.28 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 0.00 471 Q 8.34 4.05 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 472 H 8.10 4.17 0.00 1.81 2.86 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 7.13 3.82 0.00 2.61 2.77 0.00 0.00 6.85 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 Y 7.27 4.41 0.00 3.05 2.90 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 0.00 475 L 8.24 4.68 0.00 1.63 1.59 0.94 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 0.00 476 C 8.84 4.23 0.00 2.98 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 0.00 477 A 8.61 4.71 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 478 G 7.63 3.83 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 0.00 0.00 0.00 479 R 8.55 4.51 0.00 1.81 1.94 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 1.56 1.63 0.00 480 N 8.28 4.24 0.00 2.80 2.85 0.00 0.00 7.03 8.10 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 0.00 481 D 7.47 4.66 0.00 2.72 2.67 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 0.00 482 C 7.97 4.38 0.00 2.99 2.90 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 0.00 483 I 8.26 3.93 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 1.41 0.47 0.95 0.00 0.00 484 I 8.00 4.55 1.88 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 1.67 1.22 0.92 0.00 0.00 485 D 8.01 4.68 0.00 2.90 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 0.00 486 K 8.65 3.79 0.00 1.73 1.91 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.49 7.81 487 I 6.91 3.97 1.86 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 1.29 0.87 0.90 0.00 0.00 488 R 8.30 4.07 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 489 R 7.85 4.05 0.00 1.89 2.41 0.00 3.05 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 490 K 7.86 4.03 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.40 7.81 491 N 7.78 4.28 0.00 2.91 2.89 0.00 0.00 6.70 7.03 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 0.00 492 C 7.58 4.66 0.00 2.92 2.74 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 0.00 493 P 0.00 4.23 0.00 1.22 1.73 0.00 3.64 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 1.71 1.78 0.00 494 A 7.77 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 C 7.92 4.09 0.00 3.13 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 0.00 496 R 7.99 4.05 0.00 1.93 2.17 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.77 0.00 497 Y 8.11 4.16 0.00 3.31 3.12 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 0.00 0.00 0.00 498 R 7.66 3.85 0.00 2.00 2.17 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 499 K 8.61 3.98 0.00 2.03 1.85 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 500 C 8.10 3.89 0.00 2.83 2.36 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 0.00 501 L 7.70 3.83 0.00 1.45 1.56 0.64 0.84 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 0.00 502 Q 7.86 4.25 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 503 A 7.52 4.52 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 0.00 504 G 7.48 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 0.00 505 M 7.22 4.08 0.00 0.54 1.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 506 N 9.01 4.85 0.00 2.97 2.92 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 L 8.88 4.71 0.00 1.75 1.88 0.77 0.92 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 0.00 508 E 9.08 3.94 0.00 2.17 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 0.00 2.30 2.40 0.00 509 A 8.03 3.85 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 R 8.20 4.24 0.00 1.78 1.81 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00