NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.4657 8.3344 117.1011 58.5358 63.7851 171.4168 438 H 4.3718 7.2178 120.2806 54.5781 32.5628 171.8104 439 M 4.4861 8.1847 111.8260 54.6314 36.8741 173.5866 440 C 4.2840 8.4935 127.2713 59.8523 32.1455 174.4129 441 L 4.1594 8.5203 126.1753 56.6796 41.7148 178.3911 442 V 3.9858 7.8337 117.7540 64.5506 32.2831 176.1957 443 C 4.9324 7.7172 111.3526 56.6133 30.9012 174.7582 444 S 4.2421 8.1776 114.2640 59.8191 59.8282 170.9026 445 D 4.5706 7.6210 121.4722 53.9310 42.3370 173.7971 446 E 4.5269 8.5979 118.3418 55.2015 30.0560 176.0661 447 A 4.3360 8.6458 127.8171 52.2360 19.0603 177.0631 448 S 4.6883 8.3279 116.3919 58.3728 63.9138 172.8250 449 G 3.5550 7.8123 107.3513 45.2797 0.0000 172.1145 450 C 4.9029 8.3078 119.7980 57.8677 32.5965 173.1164 451 H 4.6505 8.9984 124.5195 55.4556 31.2386 173.5876 452 Y 4.1166 9.0264 119.1264 59.2395 35.5199 172.9572 453 G 4.0815 9.4058 106.4559 44.9679 0.0000 174.2286 454 V 4.4068 8.0350 119.4288 60.7278 35.7719 174.0316 455 L 4.8060 8.6253 128.9402 55.6071 42.4720 175.3929 456 T 5.1609 8.6329 115.8557 59.5211 73.1890 173.4267 457 C 4.8839 8.6383 117.4894 57.7058 30.9501 174.8774 458 G 3.6098 8.5663 106.3153 47.6626 0.0000 176.0950 459 S 4.2341 8.0213 116.1841 61.6438 63.1532 176.3132 460 C 4.3276 8.0637 119.9280 62.0649 28.0829 175.4957 461 K 4.1186 8.0219 121.2587 59.8687 31.8002 179.2178 462 V 3.8108 7.8545 118.7583 64.6094 31.4733 177.7322 463 F 4.1355 8.5364 121.4672 61.1920 39.1326 177.0267 464 F 4.1152 8.5968 119.9108 61.1916 39.2417 176.7912 465 K 3.4472 7.9753 118.9325 59.6889 31.9160 178.8301 466 R 3.7898 7.9281 117.8062 59.1638 29.6111 178.9761 467 A 3.6618 7.5101 120.5779 54.7963 17.9301 179.8884 468 V 3.3510 6.9645 116.0950 65.6672 31.6214 177.5712 469 E 4.2320 7.5848 116.8189 58.1803 28.4380 178.5439 470 G 3.4246 8.0607 105.4832 45.0828 0.0000 174.3853 471 Q 3.5288 7.2835 117.6836 56.9200 26.7770 173.4755 472 H 3.9342 6.9154 112.9893 55.8747 28.9599 175.9416 473 N 4.5352 8.0744 121.6234 52.0219 37.4309 174.5616 474 Y 4.5766 7.6470 120.2034 57.3412 39.0518 175.2048 475 L 4.8049 8.2596 122.8881 53.2215 44.9731 175.9483 476 C 4.3119 8.8021 125.6180 59.4892 32.1636 172.7285 477 A 4.7436 8.6009 126.6263 51.7503 20.9474 176.8381 478 G 3.8150 8.4484 104.2540 45.8976 0.0000 174.8299 479 R 4.5751 8.7526 114.5018 55.5494 32.8971 174.3971 480 N 4.4174 8.6816 113.4130 54.2714 35.4910 174.2095 481 D 4.8213 7.8234 114.7286 52.5994 39.7156 175.1937 482 C 4.2903 8.1237 116.4940 60.6051 28.8916 173.9262 483 I 3.7460 8.2225 123.9331 61.5867 37.0359 176.2551 484 I 4.2214 8.2778 127.2304 59.3977 37.1890 173.9479 485 D 5.8500 7.7550 124.8572 49.8406 42.3759 176.5880 486 K 3.8768 8.6825 118.8125 59.8144 32.2419 178.2473 487 I 3.9739 7.8443 118.2802 63.4326 37.5045 177.2556 488 R 4.4228 8.0744 117.6360 56.2323 30.3979 178.3798 489 R 3.7921 7.8892 116.3465 58.8536 29.2744 178.3849 490 K 4.0080 7.8040 117.6851 58.9565 32.9921 178.3753 491 N 4.6736 8.0356 118.0953 54.9775 39.3434 174.4845 492 C 4.6133 7.4918 120.5269 55.8875 32.4363 171.9728 493 P 4.0295 0.0000 0.0000 64.4790 30.8564 177.7391 494 A 4.2664 7.9220 119.5430 55.8666 18.2669 179.4166 495 C 4.1853 8.0427 114.3700 62.5294 28.1939 176.2602 496 R 3.8205 8.1869 120.6701 59.5015 29.6437 177.8374 497 Y 4.7507 8.7342 119.7012 61.0395 38.7888 177.8384 498 R 3.8042 8.5272 119.9188 59.5499 30.0334 178.5003 499 K 3.9440 8.3711 118.1463 59.6063 32.0775 178.7179 500 C 3.9140 8.4636 117.3834 63.2004 28.1880 176.4804 501 L 3.9628 8.0268 120.0618 57.9882 40.9960 179.6516 502 Q 4.0711 8.2445 116.6416 58.1565 28.7846 177.6488 503 A 4.2560 8.1129 120.5549 52.5229 18.6159 177.7392 504 G 3.7947 7.8431 105.2884 45.9528 0.0000 174.0689 505 M 4.2778 7.4903 118.4728 55.0690 32.4123 175.7926 506 N 4.9628 8.6587 118.1690 52.8600 42.6770 174.7620 507 L 4.1527 8.8647 125.6725 57.8863 42.4817 177.9920 508 E 4.4077 8.1279 117.8521 55.5545 28.9000 176.2621 509 A 4.4265 7.8000 124.1555 54.2253 20.6175 180.0949 510 R 3.8896 8.2661 117.2542 59.9046 30.4370 178.1038 511 K 3.9643 8.4470 120.5329 58.5094 31.7718 179.0515 512 T 4.1582 7.4654 114.7599 61.1502 68.2507 176.3461 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 8.33 4.47 0.00 3.65 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 0.00 438 H 7.22 4.37 0.00 3.15 3.07 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.18 4.49 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 440 C 8.49 4.28 0.00 3.02 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 0.00 441 L 8.52 4.16 0.00 1.74 1.69 0.90 0.73 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 0.00 442 V 7.83 3.99 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 0.84 0.00 0.00 0.94 0.00 0.00 443 C 7.72 4.93 0.00 3.08 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 S 8.18 4.24 0.00 4.06 4.06 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 0.00 445 D 7.62 4.57 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.53 0.00 2.00 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 2.28 2.30 0.00 447 A 8.65 4.34 1.26 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 0.00 0.00 448 S 8.33 4.69 0.00 3.99 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 0.00 449 G 7.81 3.55 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 0.00 0.00 0.00 450 C 8.31 4.90 0.00 2.87 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 0.00 451 H 9.00 4.65 0.00 3.09 2.78 0.00 5.81 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 0.00 452 Y 9.03 4.12 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 453 G 9.41 4.08 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 0.00 454 V 8.04 4.41 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 0.79 0.00 0.00 0.96 0.00 0.00 455 L 8.63 4.81 0.00 1.79 1.56 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.63 5.16 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 1.26 0.00 0.00 457 C 8.64 4.88 0.00 3.14 3.14 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 0.00 0.00 0.00 0.00 458 G 8.57 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 4.08 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 0.00 460 C 8.06 4.33 0.00 3.06 3.13 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 0.00 461 K 8.02 4.12 0.00 1.72 2.00 0.00 1.48 0.00 0.00 1.19 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.64 7.81 462 V 7.85 3.81 2.16 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 0.93 0.00 0.00 0.99 0.00 0.00 463 F 8.54 4.14 0.00 3.26 3.45 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 0.00 464 F 8.60 4.12 0.00 3.46 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.45 0.00 1.96 1.98 0.00 1.42 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 466 R 7.93 3.79 0.00 1.95 1.86 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 467 A 7.51 3.66 0.29 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 0.00 468 V 6.96 3.35 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 0.69 0.00 0.00 0.06 0.00 0.00 469 E 7.58 4.23 0.00 1.82 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 2.17 2.32 0.00 470 G 8.06 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 0.00 0.00 0.00 471 Q 7.28 3.53 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 472 H 6.92 3.93 0.00 1.74 2.51 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 0.00 473 N 8.07 4.54 0.00 2.62 2.75 0.00 0.00 7.05 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 7.65 4.58 0.00 3.15 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 0.00 475 L 8.26 4.80 0.00 1.58 1.56 0.96 0.94 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 0.00 476 C 8.80 4.31 0.00 3.02 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 0.00 477 A 8.60 4.74 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 8.45 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 0.00 479 R 8.75 4.58 0.00 1.92 1.87 0.00 3.33 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 480 N 8.68 4.42 0.00 2.90 2.96 0.00 0.00 6.83 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 7.82 4.82 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 8.12 4.29 0.00 2.97 2.89 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 0.00 483 I 8.22 3.75 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 0.46 0.91 0.00 0.00 484 I 8.28 4.22 1.84 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 1.61 1.73 0.83 0.00 0.00 485 D 7.76 5.85 0.00 2.83 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 0.00 486 K 8.68 3.88 0.00 1.72 1.88 0.00 2.22 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.46 7.81 487 I 7.84 3.97 1.95 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 0.64 0.89 0.00 0.00 488 R 8.07 4.42 0.00 1.98 1.90 0.00 3.40 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 1.54 1.58 0.00 489 R 7.89 3.79 0.00 1.79 2.15 0.00 2.97 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 490 K 7.80 4.01 0.00 1.87 1.90 0.00 1.55 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 1.35 1.48 7.81 491 N 8.04 4.67 0.00 2.75 2.89 0.00 0.00 6.65 8.40 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 0.00 492 C 7.49 4.61 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 4.03 0.00 0.64 1.85 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 494 A 7.92 4.27 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 8.04 4.19 0.00 3.11 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 8.19 3.82 0.00 1.70 1.72 0.00 2.65 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 1.31 1.40 0.00 497 Y 8.73 4.75 0.00 3.39 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 0.00 498 R 8.53 3.80 0.00 2.00 2.18 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 499 K 8.37 3.94 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.73 7.81 500 C 8.46 3.91 0.00 3.46 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 0.00 501 L 8.03 3.96 0.00 1.85 1.63 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.24 4.07 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 503 A 8.11 4.26 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 0.00 504 G 7.84 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 0.00 505 M 7.49 4.28 0.00 0.83 0.93 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 2.52 2.27 0.00 506 N 8.66 4.96 0.00 2.66 2.70 0.00 0.00 7.19 7.52 0.00 0.00 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 8.86 4.15 0.00 1.66 1.69 0.13 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.13 4.41 0.00 1.98 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 2.31 2.39 0.00 509 A 7.80 4.43 1.49 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 0.00 0.00 0.00 510 R 8.27 3.89 0.00 1.81 2.03 0.00 3.30 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 511 K 8.45 3.96 0.00 1.81 1.74 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.03 7.81 512 T 7.47 4.16 4.24 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 1.21 0.00 0.00