NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 438 H 4.9897 8.2876 116.4848 55.2267 31.5314 173.0664 439 M 4.8289 7.2638 114.5013 51.6418 34.0449 173.0253 440 C 4.0635 9.5453 124.0763 60.2567 32.9413 175.7131 441 L 4.2163 8.5977 126.1700 56.3568 41.8342 178.2149 442 V 3.9822 7.8140 117.8447 64.4033 32.2571 176.0171 443 C 5.1678 7.3949 109.8146 55.9399 30.4581 174.7024 444 S 3.7638 8.2353 114.5836 59.4163 61.1596 172.6228 445 D 4.6450 7.4534 121.0473 54.1852 43.3333 173.6126 446 E 4.8356 8.1015 117.6233 55.2254 30.3175 176.5413 447 A 4.2967 8.3218 127.9215 52.1904 18.3992 177.5465 448 S 4.4368 9.0700 117.1262 57.8797 64.5562 175.0420 449 G 3.7008 7.1274 106.8656 46.3555 0.0000 170.5575 450 C 4.5952 8.1518 120.3814 58.7311 28.4971 172.5536 451 H 4.6722 9.0268 123.0560 55.5108 30.6298 174.7626 452 Y 3.9082 8.8163 119.4096 59.5480 35.5555 173.1924 453 G 4.0935 8.4918 108.4347 45.0812 0.0000 174.7186 454 V 4.4039 8.2337 119.7044 60.4845 35.3497 174.6123 455 L 5.3146 8.8840 128.2573 55.4821 42.4467 175.3121 456 T 5.2539 8.3621 116.0216 59.6304 73.1531 172.8345 457 C 4.8645 8.4411 116.5557 56.7411 31.6546 174.8158 458 G 3.5727 8.4387 105.8196 47.6071 0.0000 176.1186 459 S 4.1636 7.9929 117.0233 62.0105 62.9662 176.3985 460 C 4.2995 8.0492 118.8468 62.4512 27.8437 175.5756 461 K 4.0543 8.2825 121.5016 60.0596 31.7022 178.9818 462 V 3.7242 7.8498 117.6801 65.7536 31.3703 177.6850 463 F 4.1188 8.7347 121.0127 61.1874 39.3199 176.8835 464 F 4.0527 8.5860 120.2558 61.1513 39.2685 176.8188 465 K 3.3862 7.6042 118.8626 59.5473 31.9310 178.8256 466 R 3.7476 7.5662 117.5230 59.0011 29.7069 178.7978 467 A 3.4593 7.2573 120.0095 54.9649 18.2842 179.7015 468 V 3.6098 6.6682 115.4218 64.0820 31.7774 178.2311 469 E 4.1457 7.7073 118.5742 58.2485 29.9195 177.3681 470 G 3.6924 7.3677 105.4849 45.3219 0.0000 172.2944 471 Q 4.3557 7.9455 117.1173 54.2164 31.3463 174.9635 472 H 4.6769 8.2360 118.2965 54.3673 32.8784 173.0371 473 N 4.6878 8.1817 118.5692 51.3938 38.6734 173.8712 474 Y 4.5277 8.0763 121.1621 57.6529 38.5845 175.5646 475 L 4.8124 8.4017 126.0930 52.9337 44.8191 175.3946 476 C 4.2627 8.7280 125.6868 59.4906 32.0986 172.8702 477 A 4.6064 8.6129 127.7368 52.0013 20.8113 177.2901 478 G 3.7625 8.4200 104.1694 45.6846 0.0000 175.3283 479 R 4.5516 8.7213 117.0554 56.0185 32.9985 175.0291 480 N 4.5250 8.6718 112.7597 54.1637 35.9206 174.3317 481 D 4.7381 7.3923 116.0449 53.1972 41.5092 175.1551 482 C 4.3509 7.9418 115.0221 59.3149 29.1078 173.9181 483 I 3.8378 8.1293 123.0961 61.1922 37.2248 176.1050 484 I 4.1939 8.2674 127.4076 59.5626 37.2292 174.0616 485 D 5.8500 7.8451 124.1367 49.2448 42.6217 176.3257 486 K 3.8198 8.6860 118.6197 59.7789 32.2450 178.4303 487 I 3.9192 7.6686 119.3786 64.3048 37.4580 177.9210 488 R 4.1937 8.6139 117.6694 57.2750 29.8835 178.7354 489 R 3.8835 7.9342 116.5006 58.6040 29.3834 178.2693 490 K 4.0559 7.3175 117.2616 58.6646 32.9692 178.5371 491 N 4.6873 7.7670 117.9330 54.8317 39.2941 174.4391 492 C 4.6249 7.5302 121.7810 55.8136 32.3204 171.9047 493 P 3.9238 0.0000 0.0000 65.0521 30.6858 178.1177 494 A 4.1912 7.8395 120.1876 55.6081 18.3097 179.2955 495 C 4.1319 7.9935 114.6246 62.6346 28.2878 176.1697 496 R 3.8099 8.1343 120.5990 59.4561 29.6613 177.9789 497 Y 4.7120 8.6566 119.7741 60.8979 38.8058 177.6137 498 R 3.7646 8.2869 119.8046 59.7022 30.1703 178.3657 499 K 3.8797 8.4128 118.2824 59.7119 32.0927 179.1115 500 C 4.0831 8.1276 116.7846 62.7668 28.0817 175.9505 501 L 3.9906 7.9183 120.3587 58.2143 41.0716 179.8583 502 Q 4.0181 8.1084 116.1211 58.4926 28.6493 177.8160 503 A 4.3437 7.6829 119.4404 52.1616 18.6627 178.1287 504 G 3.9024 8.2506 107.2223 45.1866 0.0000 174.3358 505 M 4.1374 7.0730 118.9704 55.9149 32.3296 175.6731 506 N 5.0545 8.7396 119.5938 52.6369 42.6541 174.4168 507 L 4.3919 9.0084 126.2547 57.8905 41.9577 177.2403 508 E 4.3021 8.1893 118.7738 55.9081 29.1623 175.2002 509 A 4.5035 8.8176 127.1820 53.8813 21.6613 176.4299 510 R 4.2754 7.9854 116.5303 56.3066 30.0429 177.6841 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 438 H 8.29 4.99 0.00 3.23 3.61 0.00 5.37 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 7.26 4.83 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 440 C 9.55 4.06 0.00 2.95 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 0.00 441 L 8.60 4.22 0.00 1.75 1.69 0.91 0.93 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 0.00 442 V 7.81 3.98 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 0.93 0.00 0.00 443 C 7.39 5.17 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 8.24 3.76 0.00 4.05 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 0.00 445 D 7.45 4.65 0.00 2.74 2.57 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 0.00 446 E 8.10 4.84 0.00 1.91 1.88 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 2.30 2.26 0.00 447 A 8.32 4.30 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.44 0.00 4.08 4.03 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 0.00 449 G 7.13 3.70 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 0.00 0.00 0.00 450 C 8.15 4.60 0.00 2.90 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 0.00 451 H 9.03 4.67 0.00 3.24 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 8.82 3.91 0.00 3.11 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 0.00 453 G 8.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 454 V 8.23 4.40 2.05 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 0.94 0.00 0.00 0.98 0.00 0.00 455 L 8.88 5.31 0.00 1.81 1.58 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.36 5.25 4.29 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 1.28 0.00 0.00 457 C 8.44 4.86 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.57 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 0.00 459 S 7.99 4.16 0.00 3.88 3.93 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 0.00 460 C 8.05 4.30 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 461 K 8.28 4.05 0.00 1.74 2.08 0.00 1.50 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.77 7.81 462 V 7.85 3.72 2.40 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 1.00 0.00 0.00 1.05 0.00 0.00 463 F 8.73 4.12 0.00 3.21 3.29 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 0.00 464 F 8.59 4.05 0.00 3.35 3.18 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 0.00 465 K 7.60 3.39 0.00 1.61 1.70 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.33 7.81 466 R 7.57 3.75 0.00 1.82 1.84 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 467 A 7.26 3.46 0.08 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 0.00 0.00 0.00 0.00 0.00 0.00 468 V 6.67 3.61 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 0.00 0.00 0.75 0.00 0.00 469 E 7.71 4.15 0.00 1.93 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 2.19 2.32 0.00 470 G 7.37 3.69 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 0.00 0.00 0.00 471 Q 7.95 4.36 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 472 H 8.24 4.68 0.00 2.34 2.96 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.18 4.69 0.00 2.63 2.76 0.00 0.00 6.97 7.46 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 0.00 474 Y 8.08 4.53 0.00 3.08 2.92 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 0.00 0.00 0.00 475 L 8.40 4.81 0.00 1.59 1.56 0.96 1.00 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 0.00 476 C 8.73 4.26 0.00 3.01 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 0.00 477 A 8.61 4.61 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 8.42 3.76 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 0.00 0.00 0.00 479 R 8.72 4.55 0.00 1.82 1.85 0.00 3.26 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 480 N 8.67 4.53 0.00 2.89 2.93 0.00 0.00 6.78 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 7.39 4.74 0.00 2.73 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 0.00 482 C 7.94 4.35 0.00 2.98 2.82 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 0.00 483 I 8.13 3.84 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 0.92 0.00 0.00 484 I 8.27 4.19 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.25 0.85 0.00 0.00 485 D 7.85 5.85 0.00 2.81 2.73 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 0.00 486 K 8.69 3.82 0.00 1.75 1.87 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.52 7.81 487 I 7.67 3.92 1.96 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 1.62 0.66 0.89 0.00 0.00 488 R 8.61 4.19 0.00 1.92 1.97 0.00 3.48 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 489 R 7.93 3.88 0.00 1.76 2.09 0.00 2.95 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 490 K 7.32 4.06 0.00 2.01 1.91 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.47 7.81 491 N 7.77 4.69 0.00 2.79 2.88 0.00 0.00 6.66 7.77 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 0.00 492 C 7.53 4.62 0.00 2.86 2.71 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 0.00 493 P 0.00 3.92 0.00 0.49 1.82 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 494 A 7.84 4.19 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 7.99 4.13 0.00 2.96 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 0.00 496 R 8.13 3.81 0.00 1.67 1.66 0.00 2.52 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 497 Y 8.66 4.71 0.00 3.40 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.76 0.00 1.97 2.11 0.00 3.16 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 1.76 1.66 0.00 499 K 8.41 3.88 0.00 2.01 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.67 7.81 500 C 8.13 4.08 0.00 3.57 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 0.00 501 L 7.92 3.99 0.00 1.73 1.67 0.36 0.95 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 0.00 502 Q 8.11 4.02 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 503 A 7.68 4.34 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 0.00 504 G 8.25 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 0.00 0.00 0.00 505 M 7.07 4.14 0.00 0.68 1.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 506 N 8.74 5.05 0.00 2.86 2.76 0.00 0.00 7.21 7.40 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 0.00 507 L 9.01 4.39 0.00 1.70 1.80 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.19 4.30 0.00 2.02 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 2.36 2.29 0.00 509 A 8.82 4.50 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 0.00 510 R 7.99 4.28 0.00 1.82 1.67 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00