NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 R 4.0883 8.2393 120.8390 55.0336 31.1101 175.1113 502 P 4.0395 0.0000 0.0000 62.5066 31.7264 175.8128 503 D 4.3644 8.5187 120.9489 57.1094 41.1350 179.7426 504 F 4.5455 7.9279 114.0156 58.8638 37.7960 177.1900 505 C 4.7036 7.8047 116.4773 58.5175 40.2249 174.3400 506 L 4.4009 7.7886 119.6866 53.7541 42.2962 176.4043 507 E 4.3105 7.3497 116.8382 54.9004 30.5641 175.1313 508 P 4.4064 0.0000 0.0000 61.5389 32.1214 174.6708 509 P 3.7271 0.0000 0.0000 62.5066 31.5741 175.2605 510 Y 4.6475 7.8062 121.3284 56.0050 40.4705 175.4329 511 T 4.1171 8.3132 125.2323 64.9582 68.8254 175.9739 512 G 3.6656 6.6197 105.4668 43.9801 0.0000 171.2678 513 P 4.3155 0.0000 0.0000 65.1013 31.8739 177.9114 514 C 4.4782 7.9098 115.8961 57.0602 40.6278 173.4306 515 K 4.5815 8.1487 118.9841 56.1762 32.2617 176.6541 516 A 4.2427 7.7854 121.1202 51.5810 20.4711 177.7489 517 R 4.5775 8.2821 119.0132 54.2036 30.3220 172.4009 518 I 4.3865 8.2689 122.9475 58.8134 39.5936 174.6671 519 I 4.2759 8.3301 128.9686 61.2382 37.6306 175.6017 520 R 4.8226 8.4571 125.1474 54.6411 34.8872 173.7061 521 Y 5.5794 9.2746 117.5025 56.7766 41.1459 175.2923 522 F 5.7248 9.6069 116.1201 55.7695 42.2076 172.6832 523 Y 4.4524 10.1187 122.7949 57.1864 39.9199 173.9109 524 N 4.7010 8.4816 127.1699 51.9250 38.8328 175.3272 525 A 3.7975 8.3536 130.1868 54.7485 18.9568 178.8939 526 K 4.0374 8.0588 114.4332 58.7933 32.1378 177.7887 527 A 4.4000 7.9660 118.9243 50.9751 20.2219 176.3467 528 G 4.0503 7.8981 103.8128 46.3270 0.0000 173.6134 529 L 4.8595 7.0131 116.7237 52.6394 46.5387 176.7061 530 C 4.9684 8.7363 119.1066 56.3067 37.8951 172.9890 531 Q 4.8691 8.6015 122.4432 54.0277 33.0081 174.6155 532 T 4.8595 8.3653 110.4922 61.6105 70.4868 173.7693 533 F 4.9775 8.9173 117.0535 55.8969 41.9930 173.0600 534 V 4.2104 8.3915 120.0863 62.2054 32.2160 174.2162 535 Y 4.7489 8.6394 130.4708 56.0020 40.2324 176.6362 536 G 3.7182 8.2555 113.9846 46.6068 0.0000 174.9853 537 G 3.9117 6.3820 106.6516 45.2966 0.0000 172.3512 538 C 4.8991 7.1098 112.2045 54.8994 44.6172 173.2447 539 R 3.8117 8.7757 116.5688 57.2794 27.0643 176.8917 540 A 4.3000 8.2549 119.0838 52.3577 19.2323 178.3143 541 K 4.4381 8.2052 120.6634 54.9018 34.4755 176.7772 542 R 3.6007 8.2207 117.5700 59.2702 30.4158 177.5548 543 N 4.6382 7.9119 117.6912 51.4855 37.1912 174.1914 544 N 4.9779 6.6167 116.5289 52.7704 41.1134 173.0828 545 F 5.1178 9.4669 125.0532 55.5350 42.1888 176.9330 546 K 4.2687 8.8588 122.1486 58.5302 32.6693 177.6121 547 S 4.4328 7.6951 112.4366 55.6849 67.0285 174.7109 548 A 3.3782 7.4271 124.1230 54.8608 18.0643 179.6185 549 E 3.7413 7.8150 117.3667 59.4258 29.7642 178.5585 550 D 4.2329 7.6559 118.9038 57.5282 40.9680 177.8601 551 C 2.4500 7.5874 118.5141 59.4160 43.0853 175.6662 552 M 3.8621 8.1058 120.3845 58.5365 31.3704 179.0650 553 R 3.8838 8.1339 117.0724 59.0281 30.1824 178.9435 554 T 4.1324 7.5453 114.6572 66.0206 69.1199 175.7840 555 C 4.4325 8.1891 116.7354 56.7221 41.0890 176.1568 556 G 3.6296 7.0781 109.6484 48.0497 0.0000 173.9902 557 G 3.8452 6.8569 105.9609 46.9855 0.0000 173.0655 558 A 4.0314 8.5148 124.0052 52.9592 18.9399 176.3919 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 8.24 4.09 0.00 1.79 1.79 0.00 2.88 0.00 0.00 2.94 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 502 P 0.00 4.04 0.00 1.32 2.02 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.76 0.00 503 D 8.52 4.36 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 F 7.93 4.55 0.00 3.24 3.34 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 0.00 505 C 7.80 4.70 0.00 2.89 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 0.00 506 L 7.79 4.40 0.00 1.80 1.76 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.35 4.31 0.00 2.13 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 0.00 2.77 2.34 0.00 508 P 0.00 4.41 0.00 2.01 1.96 0.00 3.67 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 2.01 2.07 0.00 509 P 0.00 3.73 0.00 0.49 0.49 0.00 3.34 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.00 510 Y 7.81 4.65 0.00 2.77 2.87 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 0.00 511 T 8.31 4.12 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 6.62 3.67 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 0.00 0.00 0.00 513 P 0.00 4.32 0.00 2.17 2.19 0.00 3.79 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 1.97 2.02 0.00 514 C 7.91 4.48 0.00 2.81 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 K 8.15 4.58 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.34 7.81 516 A 7.79 4.24 1.15 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 0.00 0.00 517 R 8.28 4.58 0.00 1.73 1.76 0.00 3.18 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 518 I 8.27 4.39 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.99 0.00 0.00 519 I 8.33 4.28 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 0.69 0.74 0.00 0.00 520 R 8.46 4.82 0.00 0.89 1.77 0.00 3.45 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 521 Y 9.27 5.58 0.00 3.24 3.10 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 0.00 522 F 9.61 5.72 0.00 3.22 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 0.00 523 Y 10.12 4.45 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 524 N 8.48 4.70 0.00 2.32 2.48 0.00 0.00 6.65 8.10 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 0.00 525 A 8.35 3.80 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 0.00 526 K 8.06 4.04 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.39 7.81 527 A 7.97 4.40 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 7.90 4.05 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 0.00 0.00 0.00 529 L 7.01 4.86 0.00 1.39 1.42 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 530 C 8.74 4.97 0.00 2.89 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 0.00 531 Q 8.60 4.87 0.00 1.55 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 532 T 8.37 4.86 4.05 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 0.50 0.00 0.00 533 F 8.92 4.98 0.00 2.95 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 0.00 534 V 8.39 4.21 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 0.70 0.00 0.00 0.90 0.00 0.00 535 Y 8.64 4.75 0.00 2.53 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 8.26 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 0.00 537 G 6.38 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 0.00 538 C 7.11 4.90 0.00 3.06 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 0.00 539 R 8.78 3.81 0.00 2.20 2.26 0.00 3.32 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 540 A 8.25 4.30 0.95 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 0.00 0.00 541 K 8.21 4.44 0.00 1.73 1.85 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 542 R 8.22 3.60 0.00 1.23 0.66 0.00 2.41 0.00 0.00 2.85 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 543 N 7.91 4.64 0.00 3.19 2.84 0.00 0.00 6.93 7.68 0.00 0.00 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 6.62 4.98 0.00 2.62 2.57 0.00 0.00 7.09 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 9.47 5.12 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.27 0.00 1.83 1.95 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.49 7.81 547 S 7.70 4.43 0.00 3.84 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 0.00 548 A 7.43 3.38 0.94 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 0.00 0.00 549 E 7.82 3.74 0.00 1.95 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 2.31 2.33 0.00 550 D 7.66 4.23 0.00 2.96 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 0.00 551 C 7.59 2.45 0.00 2.91 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 0.00 552 M 8.11 3.86 0.00 1.97 2.14 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 2.69 2.53 0.00 553 R 8.13 3.88 0.00 1.64 1.94 0.00 3.11 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 554 T 7.55 4.13 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 1.51 0.00 0.00 555 C 8.19 4.43 0.00 2.68 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 7.08 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 0.00 557 G 6.86 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 0.00 558 A 8.51 4.03 1.16 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 0.00 0.00