NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.6124 8.3193 117.1049 58.4996 64.0370 173.7905 438 H 4.9314 8.4233 123.6231 53.4940 28.6604 170.6944 439 M 5.0086 8.2288 117.9886 54.4997 35.4434 175.8998 440 C 4.3761 9.2086 126.1711 60.0391 32.5264 174.0995 441 L 4.4282 8.6406 124.5682 55.2780 42.0235 177.7414 442 V 3.9989 7.7436 118.2517 64.2712 32.3466 175.9324 443 C 5.2028 7.3232 109.5723 55.7659 30.6361 175.1054 444 S 3.8247 8.1501 114.5191 59.0868 61.1788 170.4340 445 D 4.6261 7.4807 120.7836 53.4575 42.9382 174.2696 446 E 4.4860 8.5788 121.6198 55.8663 29.8288 176.3795 447 A 4.4784 8.5939 129.7819 52.0979 19.0553 177.2946 448 S 4.5658 10.2902 114.0439 57.2193 64.1076 174.6036 449 G 3.7293 7.1553 108.7348 45.4121 0.0000 170.6135 450 C 4.6419 7.8459 120.7474 58.2626 31.3140 172.4680 451 H 4.6741 8.7891 125.3099 55.2877 30.9490 174.2523 452 Y 4.0321 9.1241 119.9127 59.0654 35.4383 172.3994 453 G 4.0462 9.1740 107.2025 44.9476 0.0000 174.1741 454 V 4.4292 7.8102 119.3785 60.4556 35.7365 174.1616 455 L 4.6474 8.5234 128.8190 55.8276 42.9487 175.6011 456 T 5.0461 8.9025 116.5140 60.2108 73.2722 173.0761 457 C 4.8007 8.6104 116.7786 57.0254 31.3926 174.8970 458 G 3.6329 8.5479 106.6332 47.7212 0.0000 176.1067 459 S 4.2530 8.0236 116.2141 61.6590 63.2333 176.1897 460 C 4.3312 8.1039 119.7445 61.7971 28.0215 175.5190 461 K 4.1532 8.2801 121.9298 59.8914 31.7043 179.1806 462 V 3.8513 7.9319 118.8552 64.4577 31.4502 177.8627 463 F 4.0381 8.6213 121.5908 61.1661 39.1408 176.9416 464 F 4.2015 8.7056 120.0547 61.1958 39.3011 176.7237 465 K 3.4604 8.1260 119.2510 59.6557 31.6178 178.7892 466 R 3.7743 8.1399 118.0580 59.2523 29.7592 179.0094 467 A 3.6373 7.5104 119.7117 54.7983 18.2865 179.5116 468 V 3.5047 7.2846 116.3888 65.5930 31.6667 177.5617 469 E 4.2376 7.9288 116.5577 58.6469 30.0604 177.1711 470 G 4.1187 7.5879 109.0277 45.1173 0.0000 172.4843 471 Q 4.2095 8.2574 122.0943 55.2513 30.7538 175.4560 472 H 3.5430 7.3194 113.8493 54.1358 28.7018 174.8368 473 N 4.4821 7.1500 119.0282 53.4042 37.8361 173.4252 474 Y 4.7374 7.0584 117.5739 57.2627 39.7706 175.4107 475 L 4.8351 8.2821 121.0211 53.0166 44.7234 176.0731 476 C 4.3105 8.7544 123.3548 59.0491 32.2066 172.8818 477 A 4.6492 8.6545 128.2500 52.1459 20.1621 177.5808 478 G 4.2268 7.4238 104.1191 46.1750 0.0000 174.6891 479 R 4.5883 8.2722 121.4223 55.6755 30.8475 175.0844 480 N 4.7677 8.6389 112.0114 54.2956 35.8134 174.3089 481 D 4.8458 7.4312 113.3503 52.4768 39.8085 175.3853 482 C 4.1609 8.2086 116.5480 60.9859 28.8129 173.9881 483 I 3.7674 8.2284 124.2320 61.3306 37.1527 175.9621 484 I 4.2316 8.2618 127.6520 59.6244 37.2999 174.0737 485 D 5.7882 7.8067 124.7879 50.6859 42.3646 175.6965 486 K 3.8316 8.7632 118.8555 59.8477 32.1661 178.2851 487 I 3.9927 7.7213 116.6097 62.2663 38.3896 175.8934 488 R 4.5637 8.3446 117.8645 55.6682 31.2927 177.7898 489 R 3.8399 8.2525 115.9029 58.7520 29.5959 179.2151 490 K 4.1093 7.9610 117.3177 59.2668 32.3041 177.8391 491 N 4.4512 8.1060 116.0121 55.8958 38.7135 174.8655 492 C 4.6691 7.4184 118.4655 55.4813 31.9740 171.8913 493 P 4.0984 0.0000 0.0000 64.7444 31.0223 177.4270 494 A 4.2690 7.9720 119.1161 55.8089 18.3727 179.4244 495 C 4.2053 8.0443 114.5261 62.7781 28.2657 176.1590 496 R 3.8134 8.3954 120.9632 59.4742 29.5724 178.0203 497 Y 4.5928 8.8619 119.9710 60.6574 38.8821 177.4709 498 R 3.8139 8.3359 119.7694 59.4454 30.0745 178.6194 499 K 3.9695 8.2586 118.1833 59.5610 32.0177 178.9711 500 C 4.0225 8.2725 116.9935 62.9082 28.1231 176.3188 501 L 3.8478 7.6812 120.2933 57.8408 40.9841 179.3172 502 Q 3.9190 8.3242 118.3605 59.0934 29.0234 177.8725 503 A 4.1855 7.9920 120.6035 52.9882 18.5030 178.1396 504 G 4.0047 7.7578 105.4749 45.2687 0.0000 173.9150 505 M 4.1718 7.3683 119.6140 55.3707 32.2285 175.7362 506 N 5.2291 8.5307 119.2460 51.5509 40.9693 174.8545 507 L 4.1665 8.8407 121.2643 57.9866 41.0511 178.0505 508 E 4.5942 8.1812 116.6343 56.4349 29.7310 178.2159 509 A 4.1987 8.1280 125.4617 55.4543 18.6782 181.0553 510 R 3.8594 8.0978 114.8280 59.6424 30.2494 177.9116 511 K 4.1500 7.4204 112.0609 58.4621 32.3877 177.4845 512 T 4.1921 7.4545 119.7167 68.9969 68.2491 175.6396 513 K 4.8063 7.4288 126.9426 54.7576 31.5858 176.4462 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 437 S 8.32 4.61 0.00 3.65 3.74 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 0.00 438 H 8.42 4.93 0.00 3.24 3.43 0.00 5.39 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.23 5.01 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 440 C 9.21 4.38 0.00 3.04 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 0.00 441 L 8.64 4.43 0.00 1.66 1.66 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.74 4.00 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 0.81 0.00 0.00 0.92 0.00 0.00 443 C 7.32 5.20 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.82 0.00 4.07 4.02 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 0.00 445 D 7.48 4.63 0.00 2.79 2.56 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 0.00 0.00 0.00 0.00 446 E 8.58 4.49 0.00 2.02 1.86 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 2.43 2.34 0.00 447 A 8.59 4.48 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 0.00 448 S 10.29 4.57 0.00 3.98 3.97 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 0.00 0.00 0.00 449 G 7.16 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 0.00 450 C 7.85 4.64 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.67 0.00 3.09 2.74 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.12 4.03 0.00 3.12 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 0.00 453 G 9.17 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 0.00 0.00 0.00 454 V 7.81 4.43 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 0.95 0.00 0.00 0.94 0.00 0.00 455 L 8.52 4.65 0.00 1.78 1.54 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.90 5.05 4.30 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 1.28 0.00 0.00 457 C 8.61 4.80 0.00 3.15 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.25 0.00 4.11 4.17 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 0.00 0.00 0.00 0.00 460 C 8.10 4.33 0.00 3.07 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 8.28 4.15 0.00 1.78 2.05 0.00 1.01 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.38 7.81 462 V 7.93 3.85 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 0.99 0.00 0.00 0.99 0.00 0.00 463 F 8.62 4.04 0.00 3.26 3.46 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 0.00 464 F 8.71 4.20 0.00 3.46 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 0.00 465 K 8.13 3.46 0.00 2.01 2.01 0.00 1.38 0.00 0.00 1.53 0.00 0.00 3.33 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.49 7.81 466 R 8.14 3.77 0.00 1.96 1.80 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 467 A 7.51 3.64 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 3.50 1.55 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 0.67 0.00 0.00 0.11 0.00 0.00 469 E 7.93 4.24 0.00 1.99 1.89 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 2.21 2.28 0.00 470 G 7.59 4.12 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 0.00 0.00 0.00 471 Q 8.26 4.21 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.39 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 472 H 7.32 3.54 0.00 2.34 2.51 0.00 5.52 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 7.15 4.48 0.00 2.53 2.66 0.00 0.00 7.30 7.54 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 0.00 474 Y 7.06 4.74 0.00 3.10 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 0.00 475 L 8.28 4.84 0.00 1.64 1.58 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.75 4.31 0.00 2.98 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 0.00 477 A 8.65 4.65 1.29 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 0.00 478 G 7.42 4.23 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 0.00 479 R 8.27 4.59 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 480 N 8.64 4.77 0.00 2.90 2.95 0.00 0.00 6.89 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 0.00 481 D 7.43 4.85 0.00 2.78 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 8.21 4.16 0.00 2.97 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 8.23 3.77 1.85 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 1.40 0.45 0.93 0.00 0.00 484 I 8.26 4.23 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.32 0.81 0.00 0.00 485 D 7.81 5.79 0.00 2.80 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 0.00 486 K 8.76 3.83 0.00 1.72 1.86 0.00 1.83 0.00 0.00 1.62 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 487 I 7.72 3.99 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 1.40 0.80 0.99 0.00 0.00 488 R 8.34 4.56 0.00 2.03 1.86 0.00 3.16 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 489 R 8.25 3.84 0.00 1.79 2.18 0.00 2.70 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 490 K 7.96 4.11 0.00 1.73 1.89 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.42 7.81 491 N 8.11 4.45 0.00 2.76 2.86 0.00 0.00 6.70 7.29 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 0.00 492 C 7.42 4.67 0.00 2.96 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 0.00 493 P 0.00 4.10 0.00 0.84 1.64 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 494 A 7.97 4.27 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 0.00 495 C 8.04 4.21 0.00 3.10 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 0.00 496 R 8.40 3.81 0.00 1.62 1.61 0.00 2.67 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.31 0.00 497 Y 8.86 4.59 0.00 3.51 3.30 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 0.00 498 R 8.34 3.81 0.00 1.99 2.10 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 1.63 1.68 0.00 499 K 8.26 3.97 0.00 2.10 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 500 C 8.27 4.02 0.00 3.31 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 0.00 501 L 7.68 3.85 0.00 1.67 1.59 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.32 3.92 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 503 A 7.99 4.19 1.29 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 0.00 504 G 7.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.17 0.00 0.55 1.13 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 506 N 8.53 5.23 0.00 2.89 2.80 0.00 0.00 7.03 7.07 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 0.00 507 L 8.84 4.17 0.00 1.77 1.78 0.24 0.79 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 0.00 508 E 8.18 4.59 0.00 2.05 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 2.41 2.28 0.00 509 A 8.13 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.86 0.00 1.83 2.02 0.00 3.27 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 1.63 1.66 0.00 511 K 7.42 4.15 0.00 1.80 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.74 7.81 512 T 7.45 4.19 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 513 K 7.43 4.81 0.00 1.85 1.94 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.01 7.81