NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4611 8.1633 118.3248 55.2314 33.2943 174.0066 502 Q 5.2374 8.4494 118.3580 52.8162 30.8653 173.3107 503 I 4.3917 8.4595 115.2915 59.4252 42.2342 173.0820 504 F 5.5241 8.9270 121.3078 55.7276 42.4664 174.7640 505 V 4.8290 8.9791 121.9053 61.0556 34.4184 173.9578 506 K 5.1609 9.1078 130.0627 54.7348 34.7251 175.8841 507 T 5.5076 8.6937 117.9973 60.5347 70.2046 175.6928 508 L 4.0899 8.5544 121.2533 57.2864 41.8257 178.2251 509 T 4.2057 7.9016 107.4660 61.5531 68.7967 175.5006 510 G 3.8657 7.9599 109.9743 45.4211 0.0000 173.3529 511 K 4.2999 7.9720 122.4220 55.9630 33.3112 175.5785 512 T 5.2189 8.5469 124.0789 61.7897 70.8919 173.7323 513 I 4.7984 8.8446 118.4543 59.6062 41.3528 174.2207 514 T 5.1133 8.6148 120.3420 62.5071 70.4580 174.1111 515 L 4.8102 8.4224 123.6715 53.0487 46.2743 175.3733 516 E 4.7444 8.7560 122.3904 55.5721 30.3524 175.7921 517 V 4.6889 8.8284 117.5360 60.1172 36.6546 174.0931 518 E 4.7345 8.8145 119.7383 53.9818 32.6649 176.1868 519 P 4.1760 0.0000 0.0000 65.6313 31.5623 178.2166 520 S 4.4977 7.8770 109.7254 58.6155 63.6786 174.0095 521 D 4.4322 8.0309 123.4857 54.6067 41.2622 176.3514 522 T 4.7606 8.2193 113.9988 61.0908 71.3517 175.9179 523 I 3.7028 8.3146 122.5407 64.5557 36.9656 178.5121 524 E 3.9375 7.9675 119.3891 59.2144 29.4431 178.6366 525 N 4.3380 8.1574 116.7753 56.2558 38.5299 177.5683 526 V 3.6079 7.8165 119.7031 65.6886 31.5452 178.2537 527 K 4.1435 8.5435 119.5579 58.9206 31.9722 178.9176 528 A 3.9894 8.2949 121.3391 55.3767 18.2321 179.8737 529 K 3.9582 8.1595 116.7314 59.5724 31.9564 179.6587 530 I 3.6977 7.8909 120.2751 64.2670 36.9250 178.2477 531 Q 4.3096 8.2465 120.3591 59.5331 28.7663 177.8486 532 D 4.0442 7.8598 118.3597 57.0740 40.8438 178.6493 533 K 4.1524 7.7652 118.9054 58.9536 32.7160 178.0248 534 E 4.4203 9.0588 117.2364 56.0045 29.9771 177.4403 535 G 3.8518 8.7067 107.5286 45.4147 0.0000 173.0822 536 I 4.1309 7.4412 120.3829 59.0320 37.9619 174.1235 537 P 4.3376 0.0000 0.0000 61.9174 31.9598 175.5204 538 P 4.2344 0.0000 0.0000 66.6399 31.2364 178.8242 539 D 4.3485 8.1560 116.4314 55.8446 39.9165 179.1380 540 Q 4.8178 7.9380 114.8008 56.1748 29.2072 175.3885 541 Q 4.7727 8.0144 118.4664 55.1460 31.0873 175.5035 542 R 4.6811 8.3561 120.2525 54.9540 34.2380 174.3121 543 L 5.0575 8.5301 124.2768 53.8830 44.0663 175.9936 544 I 4.9613 8.6344 121.8605 59.7552 41.8284 174.1446 545 F 4.9615 8.3273 127.2443 56.8728 42.2461 173.8173 546 A 3.3227 9.0496 129.0427 53.2324 15.9839 176.5058 547 G 3.4887 7.9533 102.5475 47.6219 0.0000 174.4599 *549 Q 4.2567 7.7648 118.0875 55.5950 30.2207 174.8218 550 L 4.1524 8.7881 127.1135 54.5195 42.7522 176.6249 551 E 4.4067 9.8418 123.1638 55.3720 30.6753 176.6241 552 D 4.4136 9.2097 121.2991 57.2460 39.3040 179.0961 553 G 3.8021 8.6197 109.2769 45.7522 0.0000 174.2269 554 R 4.1915 7.6156 118.8270 56.2837 30.4179 176.1840 555 T 4.9016 9.4687 111.9367 60.0635 70.9148 175.9995 556 L 3.8547 8.6825 122.5041 58.0217 42.0841 179.9804 557 S 4.0885 8.4242 113.3605 61.3790 62.4435 175.8565 558 D 4.3860 7.9712 119.0269 57.1717 40.5279 176.8813 559 Y 4.4878 7.4193 113.7597 56.9867 38.1856 174.7143 560 N 4.1635 8.2076 117.7409 54.5287 37.8569 174.1057 561 I 3.6635 7.5565 117.4649 60.3073 38.2531 175.7653 562 Q 4.6944 8.1124 123.8537 53.3235 31.9119 174.4390 563 R 4.0631 8.3754 118.5436 58.3942 30.1667 176.0784 564 E 3.3903 9.4848 124.1976 57.2033 27.7815 174.7727 565 S 4.5851 7.7726 115.2238 58.8669 64.4288 173.1973 566 T 5.1804 8.6529 118.5388 62.1263 70.1684 173.8997 567 L 5.0413 9.3374 126.7184 53.5123 44.8899 175.1382 568 H 5.4330 9.3149 118.9081 54.1867 31.6156 173.4988 569 L 5.2262 8.8177 123.9882 53.4062 44.3597 175.5059 570 V 4.8782 8.5291 118.5299 59.5263 35.5683 175.2308 571 L 4.4988 8.5187 123.6106 54.5768 43.4043 176.6746 572 R 4.4959 8.8033 121.5559 55.3148 33.5653 174.0392 573 L 4.6558 8.4263 127.9840 53.4018 45.0981 174.4156 574 R 4.0149 8.6375 126.3790 58.3605 30.2512 176.1811 575 G 4.0556 9.5694 113.5536 45.0235 0.0000 173.4119 576 G 3.7069 7.6940 112.6087 45.6957 0.0000 172.3330 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 M 8.16 4.46 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 502 Q 8.45 5.24 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.19 0.00 503 I 8.46 4.39 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.81 0.00 0.00 504 F 8.93 5.52 0.00 3.04 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 0.00 505 V 8.98 4.83 2.12 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 1.05 0.00 0.00 0.93 0.00 0.00 506 K 9.11 5.16 0.00 1.82 1.58 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 507 T 8.69 5.51 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 1.23 0.00 0.00 508 L 8.55 4.09 0.00 1.66 1.77 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 509 T 7.90 4.21 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 0.00 510 G 7.96 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 0.00 0.00 0.00 511 K 7.97 4.30 0.00 1.93 1.70 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.47 7.81 512 T 8.55 5.22 4.21 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 1.16 0.00 0.00 513 I 8.84 4.80 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.97 0.00 0.00 514 T 8.61 5.11 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 515 L 8.42 4.81 0.00 1.49 1.44 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 516 E 8.76 4.74 0.00 1.82 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 2.24 2.26 0.00 517 V 8.83 4.69 2.03 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 0.61 0.00 0.00 0.90 0.00 0.00 518 E 8.81 4.73 0.00 1.85 1.77 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 2.18 2.37 0.00 519 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 520 S 7.88 4.50 0.00 3.96 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 0.00 521 D 8.03 4.43 0.00 2.94 2.61 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 0.00 522 T 8.22 4.76 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 523 I 8.31 3.70 2.14 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.07 0.89 0.00 0.00 524 E 7.97 3.94 0.00 2.04 1.95 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 2.31 2.50 0.00 525 N 8.16 4.34 0.00 3.06 2.84 0.00 0.00 6.60 7.27 0.00 0.00 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 V 7.82 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 527 K 8.54 4.14 0.00 2.23 1.84 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.47 7.81 528 A 8.29 3.99 1.37 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 0.00 0.00 0.00 529 K 8.16 3.96 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.66 7.81 530 I 7.89 3.70 2.16 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 1.41 1.02 0.93 0.00 0.00 531 Q 8.25 4.31 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 532 D 7.86 4.04 0.00 2.85 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 0.00 533 K 7.77 4.15 0.00 1.92 1.82 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 534 E 9.06 4.42 0.00 1.95 1.99 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 2.29 2.46 0.00 535 G 8.71 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 0.00 536 I 7.44 4.13 1.87 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 1.42 0.61 0.91 0.00 0.00 537 P 0.00 4.34 0.00 2.17 1.98 0.00 3.61 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 538 P 0.00 4.23 0.00 2.21 2.37 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 539 D 8.16 4.35 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 Q 7.94 4.82 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 541 Q 8.01 4.77 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 542 R 8.36 4.68 0.00 1.86 1.79 0.00 3.28 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 543 L 8.53 5.06 0.00 1.54 1.52 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 544 I 8.63 4.96 1.92 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 1.11 0.87 0.93 0.00 0.00 545 F 8.33 4.96 0.00 2.81 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 0.00 546 A 9.05 3.32 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 0.00 547 G 7.95 3.49 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 0.00 *549 Q 7.76 4.26 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 550 L 8.79 4.15 0.00 1.35 1.14 0.62 -0.01 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 0.00 551 E 9.84 4.41 0.00 2.00 1.93 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 2.42 2.48 0.00 552 D 9.21 4.41 0.00 2.91 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 0.00 553 G 8.62 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 0.00 554 R 7.62 4.19 0.00 2.32 1.78 0.00 3.24 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 555 T 9.47 4.90 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 1.24 0.00 0.00 556 L 8.68 3.85 0.00 1.87 1.68 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 557 S 8.42 4.09 0.00 3.94 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 0.00 558 D 7.97 4.39 0.00 2.49 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 Y 7.42 4.49 0.00 2.83 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 0.00 560 N 8.21 4.16 0.00 2.84 3.01 0.00 0.00 7.11 7.75 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 0.00 561 I 7.56 3.66 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.16 0.58 0.00 0.00 562 Q 8.11 4.69 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 563 R 8.38 4.06 0.00 1.72 1.82 0.00 3.34 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 564 E 9.48 3.39 0.00 2.07 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 0.00 2.12 2.20 0.00 565 S 7.77 4.59 0.00 3.85 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 0.00 566 T 8.65 5.18 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 1.22 0.00 0.00 567 L 9.34 5.04 0.00 1.59 1.57 0.76 0.98 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 0.00 568 H 9.31 5.43 0.00 3.05 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 L 8.82 5.23 0.00 1.75 1.50 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 570 V 8.53 4.88 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 0.79 0.00 0.00 1.01 0.00 0.00 571 L 8.52 4.50 0.00 1.53 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 572 R 8.80 4.50 0.00 1.84 1.83 0.00 3.11 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 573 L 8.43 4.66 0.00 1.67 1.44 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 574 R 8.64 4.01 0.00 1.79 1.85 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 575 G 9.57 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 0.00 0.00 0.00 576 G 7.69 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.