NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 441 E 4.3759 8.4331 116.7575 55.5649 31.6549 175.9512 442 G 3.7168 8.0377 109.6874 44.9704 0.0000 171.7047 443 W 5.2234 9.2159 132.8008 55.4539 34.7807 172.4833 444 L 4.0336 7.5246 124.1037 51.7615 44.2514 174.7915 445 P 3.8685 0.0000 0.0000 61.7477 31.8339 176.0981 446 L 4.1008 8.9899 120.4158 54.9834 41.9536 178.4676 447 S 4.2598 8.6480 117.8977 60.8574 63.3587 175.0647 448 G 4.1930 7.8484 107.8261 43.5005 0.0000 171.9864 449 G 4.1006 8.2294 109.0995 45.4273 0.0000 171.0732 450 Q 4.5983 7.6534 118.1317 53.1645 30.8034 180.6259 451 G 3.9103 8.3661 112.6669 44.2004 0.0000 174.7833 452 Q 4.1476 8.6971 123.9435 57.3789 28.5944 174.0298 453 S 4.2584 7.9222 110.7654 58.4331 63.6273 173.1307 454 E 4.4825 8.3956 123.5734 53.9426 30.7240 175.0838 455 D 4.3935 8.8018 128.9140 54.9019 41.8055 176.8713 456 S 4.1486 8.8262 122.7050 60.9351 62.6225 172.0056 457 D 4.7047 8.5868 120.1226 52.9962 41.6099 175.2784 458 P 4.2941 0.0000 0.0000 65.1284 31.4332 178.5235 459 L 3.9576 8.0497 119.4805 57.9911 42.0653 178.7270 460 L 3.5435 8.0159 119.9036 57.8674 42.0679 178.4752 461 Q 3.7867 8.0722 119.6359 59.2071 28.9256 178.1180 462 Q 3.8802 8.0552 120.5528 59.0013 29.0596 178.0640 463 I 3.5727 7.6995 120.9662 64.7467 37.1493 178.0255 464 H 4.1751 7.8498 116.7397 58.8416 28.4442 177.6039 465 N 3.9018 8.0242 118.1170 56.3644 38.3945 177.6122 466 I 3.4299 7.5437 121.1384 64.4515 37.1100 178.6950 467 T 3.8711 7.8673 116.7132 66.5715 68.2631 176.6592 468 S 4.1115 7.9643 115.0481 61.4607 62.4174 176.1503 469 F 4.6832 8.1521 120.6262 60.7827 38.5294 177.8058 470 I 3.8353 7.9947 119.4885 64.4595 36.9834 178.3950 471 R 3.9400 8.1317 119.5686 59.5202 29.9371 178.6637 472 Q 4.1285 8.4678 117.6935 58.9806 28.8333 178.4184 473 A 3.3162 8.7219 122.2629 54.7547 18.2931 179.8798 474 K 3.8207 8.4444 117.1346 59.6565 31.9793 179.3791 475 A 3.9710 7.8659 119.3026 55.0041 18.3309 178.7826 476 A 4.1720 7.6818 116.7026 51.9411 18.6956 177.8030 477 G 3.8055 7.6924 104.9972 46.7720 0.0000 175.8952 478 R 4.2176 7.3839 121.2321 54.8473 28.3504 176.3623 479 M 4.0531 7.9052 123.0685 57.9027 32.4133 177.5399 480 D 4.3312 7.9829 118.8482 57.4287 40.9733 178.5324 481 E 3.9892 7.9612 118.5880 59.0937 29.5673 178.9521 482 V 3.6356 7.9109 120.9247 66.9375 31.4669 178.8136 483 R 3.9608 8.1432 120.0470 61.8099 29.3276 180.6823 484 T 4.0908 8.0398 116.7269 66.6332 68.4530 176.7750 485 L 4.1379 8.4134 121.1396 57.8984 41.6138 179.5917 486 Q 4.0415 8.6475 118.5379 58.7833 28.4832 178.2709 487 E 3.9151 8.4194 120.5455 59.3475 29.6829 178.4827 488 N 4.3174 8.1278 116.7361 56.6098 38.9857 176.5524 489 L 4.0297 8.5194 124.6805 58.7605 42.1122 179.7503 490 R 4.1088 8.2453 120.7050 61.5097 29.3856 180.6438 491 Q 4.2174 7.8198 119.1159 59.0452 28.7284 179.3175 492 L 4.0556 8.0254 119.6858 57.7656 41.5260 179.6693 493 Q 4.0259 8.4949 118.4272 59.0731 28.6853 178.3375 494 D 4.4091 8.2415 119.8933 57.6758 40.8988 178.9948 495 E 3.9870 8.1733 118.6946 59.5782 29.5884 178.8030 496 Y 4.0554 8.3624 119.7700 60.6428 38.8350 177.6955 497 D 4.3917 8.6245 122.5506 58.1061 40.7438 179.4667 498 Q 3.9956 7.7826 119.6841 60.4776 28.2180 180.2038 499 Q 4.2599 7.8911 119.0528 58.7306 28.7392 178.6051 500 Q 3.9947 7.4368 117.8849 58.4569 28.8670 176.7675 501 T 4.1363 7.6780 120.7258 63.7967 68.6153 173.9138 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 441 E 8.43 4.38 0.00 2.01 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 2.13 1.89 0.00 442 G 8.04 3.72 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 0.00 0.00 0.00 443 W 9.22 5.22 0.00 3.13 3.08 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 0.00 444 L 7.52 4.03 0.00 1.29 1.14 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 445 P 0.00 3.87 0.00 1.23 1.60 0.00 2.84 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.83 0.00 446 L 8.99 4.10 0.00 1.62 1.70 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 447 S 8.65 4.26 0.00 3.84 3.91 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 0.00 448 G 7.85 4.19 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 0.00 449 G 8.23 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 Q 7.65 4.60 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 451 G 8.37 3.91 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 0.00 0.00 0.00 0.00 452 Q 8.70 4.15 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 453 S 7.92 4.26 0.00 3.97 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 0.00 454 E 8.40 4.48 0.00 1.91 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 2.17 2.24 0.00 455 D 8.80 4.39 0.00 2.68 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 0.00 456 S 8.83 4.15 0.00 3.67 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 0.00 457 D 8.59 4.70 0.00 2.76 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 0.00 458 P 0.00 4.29 0.00 2.20 2.08 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 459 L 8.05 3.96 0.00 1.85 1.97 0.95 0.52 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 0.00 460 L 8.02 3.54 0.00 1.68 1.69 0.40 0.64 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 0.00 461 Q 8.07 3.79 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 462 Q 8.06 3.88 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 463 I 7.70 3.57 1.76 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.78 0.00 0.00 464 H 7.85 4.18 0.00 3.29 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 N 8.02 3.90 0.00 2.56 2.22 0.00 0.00 7.06 6.91 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 0.00 466 I 7.54 3.43 1.79 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.97 0.00 0.00 467 T 7.87 3.87 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 1.19 0.00 0.00 468 S 7.96 4.11 0.00 3.84 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 0.00 469 F 8.15 4.68 0.00 3.30 3.11 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 0.00 470 I 7.99 3.84 2.12 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 1.48 0.95 0.94 0.00 0.00 471 R 8.13 3.94 0.00 1.93 2.15 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 472 Q 8.47 4.13 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 473 A 8.72 3.32 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 3.82 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 475 A 7.87 3.97 1.40 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 0.00 0.00 476 A 7.68 4.17 1.06 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 0.00 0.00 477 G 7.69 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 0.00 478 R 7.38 4.22 0.00 1.39 1.66 0.00 2.21 0.00 0.00 2.70 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.00 479 M 7.91 4.05 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 480 D 7.98 4.33 0.00 2.64 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 0.00 481 E 7.96 3.99 0.00 1.95 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 2.45 2.54 0.00 482 V 7.91 3.64 2.21 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 0.98 0.00 0.00 0.95 0.00 0.00 483 R 8.14 3.96 0.00 1.85 1.93 0.00 3.33 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 1.57 1.55 0.00 484 T 8.04 4.09 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 485 L 8.41 4.14 0.00 1.89 1.85 1.27 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 486 Q 8.65 4.04 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 487 E 8.42 3.92 0.00 2.13 2.19 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 2.33 2.34 0.00 488 N 8.13 4.32 0.00 2.88 3.02 0.00 0.00 6.88 6.24 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 0.00 489 L 8.52 4.03 0.00 1.86 1.81 0.88 0.89 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 0.00 490 R 8.25 4.11 0.00 1.85 1.93 0.00 3.34 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 1.57 1.55 0.00 491 Q 7.82 4.22 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 492 L 8.03 4.06 0.00 1.84 1.71 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 493 Q 8.49 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 494 D 8.24 4.41 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.99 0.00 2.25 2.04 0.00 0.00 0.00 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 2.34 0.00 496 Y 8.36 4.06 0.00 3.13 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 0.00 497 D 8.62 4.39 0.00 2.96 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 0.00 498 Q 7.78 4.00 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 499 Q 7.89 4.26 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 500 Q 7.44 3.99 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 501 T 7.68 4.14 4.34 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 1.19 0.00 0.00