NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 R 4.0893 8.2549 120.8395 55.0473 31.3265 175.2083 502 P 4.0379 0.0000 0.0000 62.0241 31.9567 175.8527 503 D 4.3888 8.5445 122.2306 57.3502 41.7844 178.7169 504 F 4.3618 7.9687 114.2826 59.5441 37.6575 177.6496 505 C 4.6896 7.5320 116.2683 58.8985 40.0714 174.6093 506 L 4.3134 7.8295 119.1977 54.1493 42.1561 176.5803 507 E 4.2953 7.5186 119.4055 54.8273 30.2079 175.0766 508 P 4.3916 0.0000 0.0000 61.6491 32.0165 174.3779 509 P 3.6177 0.0000 0.0000 62.7613 31.3369 175.1228 510 Y 4.6047 7.9042 122.7625 56.0105 39.7254 175.2508 511 T 4.1687 8.2631 125.4940 65.1636 68.8268 176.2344 512 G 3.7393 6.6922 104.2913 44.1445 0.0000 171.4186 513 P 4.2998 0.0000 0.0000 65.2087 31.8024 178.0035 514 C 4.4956 7.9103 115.9289 57.1171 40.6467 173.4981 515 R 4.6185 8.1410 119.2152 55.8517 30.1283 176.3728 516 L 4.3793 7.6427 119.1933 54.8519 43.3397 175.3727 517 R 4.5147 8.3246 118.2741 54.4020 31.5514 173.4799 518 I 4.6235 8.2147 125.4519 58.7747 41.6708 173.9884 519 I 4.4405 8.3212 129.4466 61.0622 37.9111 175.2349 520 R 4.8243 8.3692 124.7432 54.6520 34.8888 173.6003 521 Y 5.5831 9.5072 117.5966 56.6995 41.1639 175.2922 522 F 5.7438 9.4916 116.3062 55.6969 42.2401 172.8695 523 Y 4.3142 9.9884 122.2879 56.8152 39.2266 174.1977 524 N 4.7328 7.9956 127.1348 51.5667 38.2096 174.8941 525 A 3.8051 8.3061 129.3886 54.8616 18.7615 178.9912 526 K 4.0461 8.0052 114.1359 58.7487 31.3312 177.8703 527 A 4.3019 7.9907 120.0306 51.2189 19.8549 177.5629 528 G 3.9553 7.8226 103.3312 45.8901 0.0000 173.4441 529 L 4.8667 6.7158 114.5370 52.6825 46.4546 174.9269 530 C 4.9538 8.7202 118.8208 56.4205 40.8855 172.9485 531 Q 4.8333 8.5398 121.9900 54.2171 33.0824 174.3478 532 T 4.9346 8.3520 110.2780 61.1855 70.8121 173.6934 533 F 4.9698 8.8207 116.7948 55.9581 42.0645 172.9917 534 V 4.2962 8.4040 119.7438 62.0132 32.2694 174.2740 535 Y 4.7402 8.7160 130.5028 56.5258 40.1292 176.3554 536 G 3.8487 8.3568 113.2709 45.9889 0.0000 174.9546 537 G 3.8022 6.0929 107.2471 45.4934 0.0000 172.4211 538 C 4.9482 7.0579 111.2762 54.8427 44.5168 173.0066 539 R 3.7877 8.7861 115.8935 57.0607 27.1955 176.9116 540 A 4.3701 8.2735 118.4939 52.4902 19.1314 178.1311 541 K 4.3919 8.2422 119.8526 54.8205 34.2019 177.1569 542 R 3.5614 8.0308 117.7818 58.9636 30.3491 177.5853 543 N 4.8408 7.7904 117.7922 51.6016 37.3636 173.7094 544 N 5.1005 6.6713 116.5379 52.4728 41.7781 173.0938 545 F 5.0406 9.6732 124.3288 55.7195 42.7329 176.1411 546 K 4.5744 8.8238 120.7673 57.7100 32.8666 177.5900 547 S 4.2149 7.6035 112.7948 55.6594 66.9408 174.7547 548 A 3.4932 7.2150 124.6120 54.9056 18.0762 179.7900 549 E 3.7456 7.7521 117.3712 59.6388 29.8177 178.7065 550 D 4.2945 7.9113 118.9071 57.2488 40.8559 177.9242 551 C 2.4500 7.6776 118.6295 59.0566 40.4940 175.6855 552 L 3.7963 7.6944 120.4635 57.7608 40.9742 179.4298 553 R 3.8619 7.5941 117.4337 59.6047 30.0126 178.2391 554 T 4.1614 7.4661 114.3414 65.5796 68.9284 175.5249 555 C 4.5482 8.0778 115.2679 56.4167 41.4411 175.4141 556 G 3.4537 8.0656 110.6678 48.1119 0.0000 175.1366 557 G 3.5593 7.6369 107.8468 44.7624 0.0000 173.1279 558 A 4.0909 8.4102 124.2907 52.2368 18.3756 177.4605 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 501 R 8.25 4.09 0.00 1.93 1.80 0.00 3.16 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 502 P 0.00 4.04 0.00 0.97 1.54 0.00 3.29 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 503 D 8.54 4.39 0.00 2.70 2.74 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 0.00 504 F 7.97 4.36 0.00 3.23 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 0.00 505 C 7.53 4.69 0.00 2.94 3.16 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 0.00 0.00 0.00 0.00 506 L 7.83 4.31 0.00 1.74 1.76 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.52 4.30 0.00 2.15 1.90 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 2.40 2.47 0.00 508 P 0.00 4.39 0.00 2.08 2.02 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 509 P 0.00 3.62 0.00 0.49 0.49 0.00 3.31 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 510 Y 7.90 4.60 0.00 2.81 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 0.00 511 T 8.26 4.17 4.11 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 1.16 0.00 0.00 512 G 6.69 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 0.00 0.00 0.00 513 P 0.00 4.30 0.00 2.18 2.20 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 514 C 7.91 4.50 0.00 2.94 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 0.00 515 R 8.14 4.62 0.00 1.71 1.85 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 516 L 7.64 4.38 0.00 1.70 1.74 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 517 R 8.32 4.51 0.00 1.73 1.80 0.00 3.29 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 518 I 8.21 4.62 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.97 0.00 0.00 519 I 8.32 4.44 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 1.30 0.88 0.69 0.00 0.00 520 R 8.37 4.82 0.00 0.76 1.81 0.00 3.41 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 521 Y 9.51 5.58 0.00 3.14 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 0.00 522 F 9.49 5.74 0.00 3.36 3.07 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 0.00 0.00 0.00 0.00 523 Y 9.99 4.31 0.00 2.95 3.02 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 0.00 524 N 8.00 4.73 0.00 2.34 2.47 0.00 0.00 6.63 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 0.00 525 A 8.31 3.81 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 526 K 8.01 4.05 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 527 A 7.99 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 0.00 528 G 7.82 3.96 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 0.00 0.00 0.00 529 L 6.72 4.87 0.00 1.40 1.43 0.88 0.88 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 0.00 530 C 8.72 4.95 0.00 2.88 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 0.00 531 Q 8.54 4.83 0.00 1.62 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 532 T 8.35 4.93 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 0.47 0.00 0.00 533 F 8.82 4.97 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 0.00 534 V 8.40 4.30 2.09 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 0.71 0.00 0.00 0.90 0.00 0.00 535 Y 8.72 4.74 0.00 2.54 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 0.00 536 G 8.36 3.85 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 0.00 0.00 0.00 537 G 6.09 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 0.00 0.00 0.00 538 C 7.06 4.95 0.00 3.06 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 0.00 539 R 8.79 3.79 0.00 2.14 2.19 0.00 3.29 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 540 A 8.27 4.37 1.09 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 0.00 541 K 8.24 4.39 0.00 1.74 1.68 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.02 7.81 542 R 8.03 3.56 0.00 0.89 0.66 0.00 2.36 0.00 0.00 2.86 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.24 0.00 543 N 7.79 4.84 0.00 3.17 2.88 0.00 0.00 6.68 7.79 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 0.00 544 N 6.67 5.10 0.00 2.62 2.48 0.00 0.00 7.08 7.02 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 0.00 545 F 9.67 5.04 0.00 3.28 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 K 8.82 4.57 0.00 1.82 1.93 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 547 S 7.60 4.21 0.00 3.80 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 0.00 548 A 7.21 3.49 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 0.00 549 E 7.75 3.75 0.00 1.94 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 2.31 2.34 0.00 550 D 7.91 4.29 0.00 2.82 2.81 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 0.00 551 C 7.68 2.45 0.00 2.80 3.05 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 0.00 552 L 7.69 3.80 0.00 1.77 1.61 0.87 0.71 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 0.00 553 R 7.59 3.86 0.00 1.74 2.02 0.00 3.22 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 554 T 7.47 4.16 4.11 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 1.53 0.00 0.00 555 C 8.08 4.55 0.00 2.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 G 8.07 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 0.00 0.00 0.00 557 G 7.64 3.56 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 0.00 0.00 0.00 558 A 8.41 4.09 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00