NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 455 G 3.8052 8.3544 109.7319 45.6267 0.0000 172.3790 456 S 4.4160 8.0660 114.3254 55.5870 64.0065 171.7888 457 S 4.1378 8.6480 119.0912 58.8669 63.7166 173.9156 458 G 3.9880 7.9798 111.9096 46.1264 0.0000 172.6327 459 S 4.5387 8.7517 113.5928 60.2958 63.9483 175.6306 460 S 4.3363 8.0999 115.6061 58.4067 62.9401 173.8887 461 G 3.7917 8.5182 113.3494 42.8889 0.0000 173.1977 462 E 4.0274 7.8387 121.0494 56.2408 27.4323 175.8728 463 F 5.0639 7.5618 122.4656 54.4212 39.3288 174.0966 464 P 4.4156 0.0000 0.0000 63.5969 31.8198 177.1121 465 A 4.5512 7.5852 121.4573 50.9966 19.2436 176.3774 466 Q 4.3372 8.3896 122.2312 55.1805 27.9710 174.2555 467 E 4.2583 8.1988 120.1562 54.6303 29.1760 176.4362 468 L 4.3729 8.2050 125.1614 53.5008 41.2579 176.8302 469 R 4.5363 8.1075 122.3472 53.5672 33.6088 175.9491 470 K 3.8672 8.4843 121.9310 59.9210 32.5213 176.0186 471 Y 3.9377 6.8993 117.2056 57.6920 37.5873 175.8535 472 F 4.4290 8.2435 124.1796 58.2821 39.2990 175.2168 473 K 4.7351 8.4252 124.3786 53.9840 35.0047 175.7060 474 M 4.3607 8.3390 120.3053 57.2201 32.5724 176.5460 475 G 3.9910 8.9621 113.4535 45.2147 0.0000 173.3929 476 D 4.8053 7.5949 118.8901 53.5476 42.6253 175.0888 477 H 5.2018 8.5788 120.8218 55.4413 31.8519 174.2744 478 V 4.3727 8.4504 117.4114 59.4223 36.1843 174.3641 479 K 4.7117 8.7946 124.1058 54.6461 35.8451 175.0066 480 V 4.5717 8.7595 124.7830 61.5346 32.2264 175.9296 481 I 4.1031 8.5744 122.5529 62.2555 38.8947 175.1813 482 A 4.6062 7.8444 122.9954 50.4324 22.6615 174.0443 483 G 3.8669 8.6174 103.5474 44.7833 0.0000 174.0148 484 R 4.0744 8.4496 118.8936 56.8857 30.2295 177.0960 485 F 4.7317 7.9045 114.4203 57.3602 40.1988 173.7491 486 E 4.1065 8.4480 122.0322 59.6786 29.1507 176.4595 487 G 4.1521 8.7868 114.5781 45.2102 0.0000 172.2838 488 D 5.2536 8.3784 119.9245 52.6757 43.9678 175.3347 489 T 4.9221 8.1881 109.9100 60.2461 72.6764 172.7862 490 G 4.0061 7.9564 107.1885 46.7348 0.0000 172.0814 491 L 5.1695 8.0460 119.3944 53.3165 44.7830 176.2875 492 I 4.5059 8.3610 121.8072 60.8445 37.5703 176.8686 493 V 4.1433 8.5907 120.5187 62.0964 33.6199 176.4795 494 R 4.7521 8.2313 119.6689 54.7054 33.7801 174.1671 495 V 4.8378 8.3991 123.9968 61.3196 34.3737 174.2525 496 E 4.6916 8.8956 124.7233 54.2377 33.4490 176.4251 497 E 3.5426 8.5687 120.8943 58.5735 29.8746 177.2953 498 N 4.4477 7.0516 116.4843 54.8214 39.6986 174.4109 499 F 5.1691 6.3541 110.1708 55.1404 42.3134 172.2639 500 V 4.8347 9.0027 117.8088 61.2866 34.5917 174.2519 501 I 4.8013 8.9042 129.4760 60.0610 38.6294 174.5442 502 L 5.1480 8.4395 127.8994 53.8437 43.4738 175.3816 503 F 4.7102 9.3511 125.7093 57.7256 40.1183 174.7854 504 S 4.6840 8.5048 122.1278 58.1470 63.1905 174.1477 505 D 4.8533 8.6599 122.7803 53.6725 40.6349 177.5972 506 L 4.2482 7.8594 119.7123 57.4060 42.1607 177.9423 507 T 4.0660 7.6923 105.3917 61.8541 69.4056 174.1819 508 M 2.9613 7.6347 119.7744 55.8793 29.5564 175.1214 509 H 4.9895 7.1201 113.8228 54.3023 34.1466 171.9143 510 E 4.7683 8.7006 118.4331 55.2570 30.6769 175.9485 511 L 4.2818 8.5858 125.5355 53.0299 43.8771 175.6552 512 K 4.4226 8.1489 124.7822 54.8282 33.3292 175.1202 513 V 4.5478 8.0353 126.3096 61.1509 35.9026 174.0752 514 L 4.8979 8.4722 123.7417 53.5216 42.8537 176.3210 515 P 4.9120 0.0000 0.0000 64.4266 31.5026 177.2447 516 R 4.2873 7.9577 114.8297 57.6479 30.3094 176.4293 517 D 5.0279 8.3087 117.7168 53.9836 42.4860 175.3143 518 L 5.3047 7.9038 118.1930 53.2236 45.4333 175.7325 519 Q 4.6356 8.2469 116.6789 55.0098 31.9342 174.3824 520 L 4.3140 8.7563 123.3598 55.5102 42.2261 176.2227 521 C 4.4708 8.1196 118.9175 61.2839 32.9244 175.3141 522 S 4.1798 8.1243 112.4413 61.1494 62.3008 173.1264 523 E 4.1025 8.1759 123.6602 56.5467 29.2781 176.0957 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 455 G 8.35 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 0.00 456 S 8.07 4.42 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 S 8.65 4.14 0.00 3.90 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 0.00 458 G 7.98 3.99 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 0.00 0.00 0.00 459 S 8.75 4.54 0.00 3.88 3.94 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 0.00 460 S 8.10 4.34 0.00 3.88 3.84 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 0.00 0.00 0.00 461 G 8.52 3.79 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 0.00 0.00 0.00 462 E 7.84 4.03 0.00 1.72 1.65 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 2.19 2.23 0.00 463 F 7.56 5.06 0.00 3.12 2.85 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 0.00 464 P 0.00 4.42 0.00 2.20 2.18 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 465 A 7.59 4.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 466 Q 8.39 4.34 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 467 E 8.20 4.26 0.00 1.96 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 2.27 2.28 0.00 468 L 8.20 4.37 0.00 1.59 1.62 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 469 R 8.11 4.54 0.00 1.77 1.72 0.00 3.33 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 470 K 8.48 3.87 0.00 1.71 1.76 0.00 1.38 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.46 0.92 7.81 471 Y 6.90 3.94 0.00 2.99 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 0.00 472 F 8.24 4.43 0.00 3.05 2.96 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 0.00 473 K 8.43 4.74 0.00 2.01 1.71 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.72 7.81 474 M 8.34 4.36 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 475 G 8.96 3.99 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 0.00 0.00 0.00 476 D 7.59 4.81 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.58 5.20 0.00 3.16 3.13 0.00 5.61 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 0.00 478 V 8.45 4.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.79 0.00 0.00 479 K 8.79 4.71 0.00 1.68 1.66 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.31 7.81 480 V 8.76 4.57 2.39 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 1.12 0.00 0.00 0.91 0.00 0.00 481 I 8.57 4.10 1.89 0.00 0.00 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 1.33 0.78 0.95 0.00 0.00 482 A 7.84 4.61 1.30 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 0.00 0.00 483 G 8.62 3.87 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 0.00 0.00 0.00 484 R 8.45 4.07 0.00 1.65 1.41 0.00 3.11 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.00 485 F 7.90 4.73 0.00 3.20 2.97 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 0.00 486 E 8.45 4.11 0.00 1.95 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 2.48 0.00 487 G 8.79 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 488 D 8.38 5.25 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 489 T 8.19 4.92 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 1.21 0.00 0.00 490 G 7.96 4.01 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 0.00 0.00 0.00 491 L 8.05 5.17 0.00 1.72 1.62 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 492 I 8.36 4.51 2.03 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 1.20 0.80 0.96 0.00 0.00 493 V 8.59 4.14 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 0.77 0.00 0.00 1.08 0.00 0.00 494 R 8.23 4.75 0.00 1.90 1.75 0.00 3.07 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 495 V 8.40 4.84 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 1.01 0.00 0.00 0.99 0.00 0.00 496 E 8.90 4.69 0.00 1.77 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 2.09 2.20 0.00 497 E 8.57 3.54 0.00 1.83 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 2.21 2.22 0.00 498 N 7.05 4.45 0.00 2.19 1.68 0.00 0.00 6.89 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 F 6.35 5.17 0.00 3.29 3.15 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 0.00 0.00 0.00 500 V 9.00 4.83 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 1.25 0.00 0.00 1.12 0.00 0.00 501 I 8.90 4.80 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.89 1.01 0.00 0.00 502 L 8.44 5.15 0.00 1.76 1.69 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 503 F 9.35 4.71 0.00 3.07 2.96 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 0.00 504 S 8.50 4.68 0.00 3.73 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.85 0.00 2.86 2.84 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 0.00 0.00 0.00 506 L 7.86 4.25 0.00 1.63 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 507 T 7.69 4.07 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 1.21 0.00 0.00 508 M 7.63 2.96 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 509 H 7.12 4.99 0.00 2.92 3.08 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 E 8.70 4.77 0.00 1.84 1.92 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 2.35 2.61 0.00 511 L 8.59 4.28 0.00 1.21 0.72 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 512 K 8.15 4.42 0.00 1.57 1.51 0.00 1.25 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.83 7.81 513 V 8.04 4.55 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 0.99 0.00 0.00 0.53 0.00 0.00 514 L 8.47 4.90 0.00 1.73 1.66 0.99 1.17 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 0.00 515 P 0.00 4.91 0.00 2.11 2.31 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 516 R 7.96 4.29 0.00 1.99 2.14 0.00 3.03 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 517 D 8.31 5.03 0.00 2.68 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 0.00 518 L 7.90 5.30 0.00 1.49 1.18 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 519 Q 8.25 4.64 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 520 L 8.76 4.31 0.00 1.62 1.67 1.13 0.91 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 0.00 521 C 8.12 4.47 0.00 3.02 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 0.00 522 S 8.12 4.18 0.00 3.87 3.87 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 0.00 523 E 8.18 4.10 0.00 1.98 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 0.00 2.28 2.24 0.00