NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.3358 8.1593 117.3764 62.7772 69.8293 173.6467 502 P 4.3539 0.0000 0.0000 61.5345 32.3881 173.8327 503 D 4.3010 8.6617 119.3646 55.7148 41.8578 176.9036 504 C 4.9109 8.9620 120.5522 57.4766 43.8257 174.0398 505 V 4.6576 7.2808 116.8677 60.5063 34.5503 172.5952 506 T 4.9730 8.6419 119.1272 61.2161 71.6292 173.6068 507 G 3.9250 8.0217 112.0731 46.2924 0.0000 172.2025 508 K 4.6823 8.3897 119.2894 55.3987 32.9108 177.2820 509 V 3.8262 8.0293 120.8693 62.6518 31.7497 175.4897 510 E 4.2771 9.1534 130.2249 59.1983 30.0803 175.9826 511 Y 5.0560 7.0885 115.2611 56.1484 41.4191 173.3532 512 T 4.9329 8.5151 109.3974 59.7424 72.5050 173.2229 513 K 4.3259 8.0174 123.9562 54.8759 35.3857 174.2246 514 Y 4.6880 8.7070 129.5140 56.8142 39.5647 174.5859 515 N 4.8845 8.3444 124.3727 51.4190 40.8284 175.5181 516 D 4.4539 8.9432 120.0781 57.7780 41.0029 177.9446 517 D 4.4168 7.9282 115.0596 54.5249 39.3002 176.5613 518 D 4.0362 8.5003 119.5916 54.4185 39.1118 173.9675 519 T 4.1939 8.4366 111.3533 61.7328 70.7873 173.6084 520 F 5.5213 8.5171 123.0341 56.1294 41.1777 172.9025 521 T 3.9450 7.9191 122.0862 62.9702 69.6322 173.5652 522 V 4.6081 9.0861 124.8182 59.6090 35.4206 174.1399 523 K 4.6434 8.1234 123.9232 54.5336 34.5070 174.8422 524 V 4.3902 8.1397 126.9264 61.0614 34.6217 174.9612 525 G 3.6252 8.8034 116.2579 47.3704 0.0000 173.5258 526 D 4.7379 8.7473 124.0450 52.6508 39.7748 175.6211 527 K 4.6723 8.0989 120.5221 55.0833 34.5096 174.7301 528 E 4.8305 9.7170 127.1861 54.8107 31.0879 174.6475 529 L 5.6453 8.8595 126.4565 53.1273 46.7349 175.2160 530 F 5.0992 9.3259 118.5194 56.2641 41.3387 175.2155 531 T 4.6122 8.2960 115.4781 60.3960 70.6919 173.7963 532 N 4.7118 8.7330 123.1145 52.9308 38.3981 175.7665 533 R 4.2627 7.6423 119.6680 55.1026 30.4897 176.3731 534 W 4.2377 8.9003 134.8212 60.7258 30.7129 177.4440 535 N 4.4802 8.3307 115.7712 56.3090 38.1147 176.9608 536 L 4.1001 8.0164 121.2949 58.0414 42.0582 178.4423 537 Q 3.6765 8.3255 120.2270 59.3192 28.9615 178.8501 538 S 4.0054 7.7167 114.5327 60.9135 63.0107 176.3688 539 L 3.8479 7.9428 123.0158 57.5962 41.3531 179.1866 540 L 4.3166 8.2632 119.0126 57.9303 41.6210 179.6040 541 L 4.1138 7.7561 118.5073 58.0503 41.5954 179.6251 542 S 4.1372 8.1235 114.7768 61.6710 62.6735 176.7605 543 A 4.0569 8.3631 123.6852 55.1884 18.2753 179.5354 544 Q 3.9211 8.7655 118.4492 59.4437 28.9675 178.3005 545 I 3.7877 8.1470 120.3871 64.0249 37.2345 177.4913 546 T 4.4739 7.8092 107.4434 60.9992 69.0702 175.2834 547 G 3.8914 7.7185 108.9278 46.4283 0.0000 173.9058 548 M 4.3864 8.0845 118.5923 55.3439 32.8933 176.0575 549 T 4.6174 8.0611 117.8942 62.7775 70.6008 174.5015 550 V 4.8297 8.8448 118.2391 59.7859 36.4291 174.5871 551 T 4.8821 8.5500 119.3253 61.8766 71.3663 173.3428 552 I 4.0609 8.5499 128.6011 60.2767 38.6569 174.9624 553 K 4.8556 8.2944 127.2696 55.2279 33.3733 175.7498 554 T 4.3878 7.9024 117.3230 61.4860 70.2680 173.0172 555 N 4.3903 9.1707 124.9219 55.5374 40.1581 175.5785 556 A 4.5103 7.9366 124.1243 51.1084 18.1476 177.1124 557 C 4.7948 7.5915 126.2587 54.2036 38.1437 171.3340 558 H 4.9954 6.9775 117.2656 53.5758 31.8073 173.3152 559 N 4.7245 8.6274 117.7873 55.1493 38.6575 175.9967 560 G 4.0366 9.3404 111.4657 45.1667 0.0000 174.1492 561 G 4.3980 8.7376 107.8590 46.1960 0.0000 173.1001 562 T 5.8515 8.6359 111.7998 59.6102 71.2525 173.2379 563 F 5.0866 8.0364 116.4608 56.0761 41.0802 174.6409 564 S 4.6017 8.5474 109.9998 58.7232 64.0703 173.3879 565 E 4.8189 8.4699 120.3020 55.3763 33.3182 174.4401 566 V 4.6625 8.4652 123.2303 61.1431 35.2254 174.0714 567 I 4.4008 8.4230 127.8239 59.5913 39.4844 174.4363 568 F 4.8546 8.8902 126.0501 56.1474 40.1114 176.1644 569 R 4.3439 8.9487 122.6727 56.2299 30.4378 176.0397 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 T 8.16 4.34 4.26 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 1.22 0.00 0.00 502 P 0.00 4.35 0.00 2.29 2.17 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 503 D 8.66 4.30 0.00 2.55 2.62 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 0.00 0.00 0.00 0.00 504 C 8.96 4.91 0.00 3.11 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 0.00 505 V 7.28 4.66 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 506 T 8.64 4.97 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 1.20 0.00 0.00 507 G 8.02 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 0.00 0.00 0.00 508 K 8.39 4.68 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.41 7.81 509 V 8.03 3.83 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 0.76 0.00 0.00 0.94 0.00 0.00 510 E 9.15 4.28 0.00 1.89 1.84 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 2.47 2.30 0.00 511 Y 7.09 5.06 0.00 2.98 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 0.00 512 T 8.52 4.93 3.71 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 1.42 0.00 0.00 513 K 8.02 4.33 0.00 1.71 1.45 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.29 7.81 514 Y 8.71 4.69 0.00 3.33 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.88 0.00 2.91 2.70 0.00 0.00 6.16 7.69 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 0.00 516 D 8.94 4.45 0.00 2.65 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 0.00 517 D 7.93 4.42 0.00 2.82 2.80 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 0.00 518 D 8.50 4.04 0.00 2.95 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 0.00 519 T 8.44 4.19 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 1.41 0.00 0.00 520 F 8.52 5.52 0.00 2.93 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 0.00 521 T 7.92 3.95 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 0.66 0.00 0.00 522 V 9.09 4.61 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 0.86 0.00 0.00 0.89 0.00 0.00 523 K 8.12 4.64 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 1.12 7.81 524 V 8.14 4.39 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 0.90 0.00 0.00 0.75 0.00 0.00 525 G 8.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.74 0.00 2.78 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 0.00 527 K 8.10 4.67 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.44 7.81 528 E 9.72 4.83 0.00 2.00 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 2.12 2.13 0.00 529 L 8.86 5.65 0.00 1.66 1.97 0.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.33 5.10 0.00 2.94 2.93 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 0.00 531 T 8.30 4.61 2.69 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 1.17 0.00 0.00 532 N 8.73 4.71 0.00 2.86 2.90 0.00 0.00 6.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 R 7.64 4.26 0.00 1.87 1.98 0.00 3.33 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 534 W 8.90 4.24 0.00 3.45 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 0.00 535 N 8.33 4.48 0.00 2.85 2.91 0.00 0.00 6.75 6.74 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 0.00 536 L 8.02 4.10 0.00 1.79 1.82 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 8.33 3.68 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 538 S 7.72 4.01 0.00 4.04 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 0.00 539 L 7.94 3.85 0.00 2.00 1.24 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.26 4.32 0.00 2.06 2.01 1.33 0.56 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 0.00 541 L 7.76 4.11 0.00 1.76 1.75 0.68 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.12 4.14 0.00 3.96 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 0.00 543 A 8.36 4.06 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.77 3.92 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 545 I 8.15 3.79 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 0.92 0.00 0.00 546 T 7.81 4.47 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 1.24 0.00 0.00 547 G 7.72 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 0.00 0.00 0.00 548 M 8.08 4.39 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 549 T 8.06 4.62 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 1.23 0.00 0.00 550 V 8.84 4.83 1.73 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 0.71 0.00 0.00 0.84 0.00 0.00 551 T 8.55 4.88 4.13 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 1.12 0.00 0.00 552 I 8.55 4.06 1.53 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.40 -0.12 0.00 0.00 553 K 8.29 4.86 0.00 1.61 1.72 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.28 7.81 554 T 7.90 4.39 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 555 N 9.17 4.39 0.00 2.74 2.85 0.00 0.00 6.91 7.96 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 0.00 556 A 7.94 4.51 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 0.00 557 C 7.59 4.79 0.00 3.08 3.03 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 0.00 558 H 6.98 5.00 0.00 3.39 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.63 4.72 0.00 2.81 2.92 0.00 0.00 7.06 7.65 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 0.00 560 G 9.34 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 561 G 8.74 4.40 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 0.00 562 T 8.64 5.85 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 1.22 0.00 0.00 563 F 8.04 5.09 0.00 3.17 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 0.00 564 S 8.55 4.60 0.00 3.97 3.88 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 0.00 0.00 0.00 565 E 8.47 4.82 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 2.34 2.35 0.00 566 V 8.47 4.66 1.81 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 -0.05 0.00 0.00 0.94 0.00 0.00 567 I 8.42 4.40 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.91 0.00 0.00 568 F 8.89 4.85 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 0.00 569 R 8.95 4.34 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00