NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 531 Y 4.5906 8.1444 118.9115 56.4567 39.4924 174.3178 532 D 4.3053 8.3574 121.7384 53.6060 41.3451 175.9112 533 R 4.2796 9.3715 128.3378 59.2617 31.1357 178.6223 534 K 4.1233 8.1697 118.0060 59.0370 32.1558 179.0979 535 L 3.8342 8.1412 120.5502 57.9678 42.0338 178.5968 536 F 4.3637 8.4861 120.4694 61.3238 39.2939 176.8131 537 A 3.7888 8.1115 120.2355 55.1861 18.2310 179.7221 538 K 3.8654 7.9489 116.7974 59.6674 32.1293 179.5534 539 L 4.1151 8.4875 119.5028 57.9210 41.4933 179.8511 540 R 3.8415 7.9147 118.0324 58.9174 29.9435 179.0343 541 K 3.8596 7.9173 119.4597 59.3552 32.2367 178.6275 542 L 3.7985 7.8482 120.6032 58.0238 41.8620 178.7836 543 R 4.0229 8.1340 118.6660 59.4239 30.0535 178.3326 544 K 3.8696 8.1775 119.3927 59.5233 32.1694 178.6943 545 S 4.0501 8.0735 113.3368 61.4343 62.3181 176.2281 546 I 3.6807 7.8526 122.2795 64.2718 36.8481 178.3410 547 A 3.8959 8.2167 121.9304 55.1944 18.0809 179.3954 548 D 4.2765 8.5691 117.7814 57.5827 40.6925 178.7208 549 E 3.9341 7.9624 118.5832 59.0732 29.7385 178.3202 550 S 4.3442 7.8838 113.0168 57.9224 63.6724 173.2650 551 N 4.1839 7.7710 119.1634 54.9854 37.3731 173.8045 552 V 4.5118 7.5902 108.1994 58.2496 35.7163 174.4946 553 P 4.3541 0.0000 0.0000 61.9597 32.0933 175.7552 554 P 4.1761 0.0000 0.0000 65.9454 31.4134 178.2970 555 Y 4.4875 7.9020 113.8890 59.1600 38.0009 177.6464 556 V 3.3125 6.6930 119.8393 65.3778 31.1304 176.7589 557 V 2.9792 6.7400 119.8302 63.9196 31.4955 175.2325 558 F 4.9483 7.2248 116.4581 54.5793 43.4062 174.4841 559 N 4.7150 8.7486 122.3581 52.5077 39.4525 175.9384 560 D 4.4984 8.7202 120.1691 57.6871 40.8921 179.0197 561 A 3.9271 8.0437 120.6278 55.3094 18.1733 179.6494 562 T 3.7265 8.3887 113.8290 66.7691 68.6200 176.4592 563 L 4.1220 7.5684 119.1302 57.9321 41.9840 179.3308 564 I 3.3414 7.8084 119.6858 63.9049 36.7830 178.9067 565 E 4.3905 8.1962 119.9553 55.9360 29.3270 178.2294 *567 A 4.3341 8.0718 122.1222 51.7185 20.8774 179.9105 568 E 4.0826 8.2567 115.6045 59.3124 30.2872 178.0607 569 Q 4.0466 8.3161 117.1050 56.2932 28.3684 174.6083 *571 P 4.3275 0.0000 0.0000 63.2910 33.3395 176.7106 572 I 4.2746 9.1374 123.1421 62.7172 38.9532 176.5724 573 T 4.2978 7.8759 107.9773 60.3782 69.9435 174.3729 574 A 4.1344 8.5921 125.2257 55.4983 18.5849 179.2331 575 S 4.2501 8.0749 109.0152 61.5661 62.6704 175.6543 576 E 4.1673 8.0677 117.4366 56.8868 28.3571 178.5835 *578 L 4.4516 7.8845 120.3440 54.8611 43.5233 178.4995 579 S 4.2388 7.5865 113.7593 60.3810 63.3624 174.7521 580 V 4.0496 7.4975 120.8402 61.2448 31.8639 174.5881 581 N 4.3909 8.5578 125.9176 55.4814 39.0562 174.9157 582 G 3.8914 9.1254 112.9496 45.4008 0.0000 173.3382 583 V 4.4750 7.5083 119.5027 61.0517 33.1879 175.4683 584 G 3.8281 8.5656 119.7572 45.9912 0.0000 173.8112 *586 R 4.1778 9.1641 122.9165 56.0499 32.3024 177.7620 587 K 3.8492 7.9535 116.6250 59.0950 31.9150 178.9420 588 L 4.2408 8.0119 120.6885 58.4001 41.8347 178.8728 589 E 3.9263 8.0786 116.4268 59.3640 29.4825 179.0436 590 R 3.8148 7.4856 117.0790 58.7187 30.3193 177.6238 591 F 5.3154 8.5245 114.4889 56.9568 40.1991 177.4791 592 G 3.9862 8.4484 106.8533 47.9164 0.0000 175.9194 593 K 4.0783 8.1170 119.6975 58.6632 32.4783 177.1431 594 P 4.4524 0.0000 0.0000 65.4222 31.1732 178.5777 595 F 4.1478 8.0060 113.4401 58.0112 38.5866 177.1558 *597 A 4.2441 8.1549 125.4725 52.2789 20.5096 179.5750 598 L 3.9309 8.0191 117.0150 58.4921 42.0673 179.2914 599 I 3.7551 7.9525 119.6378 64.3521 37.1675 178.3913 600 R 3.8834 8.0375 118.7672 59.5357 29.9520 178.2668 601 A 4.0432 8.2774 120.6511 55.2115 18.4272 179.1980 602 H 4.0817 8.3505 116.8839 59.6894 29.8349 178.0900 603 V 3.7674 7.8898 112.6482 63.9139 31.3983 177.5668 604 D 4.6691 7.9868 117.2096 54.1788 41.2239 177.0698 605 G 3.8879 7.6899 106.1056 45.8821 0.0000 173.1756 606 D 4.4930 8.2270 125.2352 54.1954 40.8595 176.6303 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 531 Y 8.14 4.59 0.00 3.03 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 0.00 532 D 8.36 4.31 0.00 2.77 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 0.00 533 R 9.37 4.28 0.00 1.89 2.03 0.00 3.13 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.36 0.00 534 K 8.17 4.12 0.00 2.02 1.92 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.53 7.81 535 L 8.14 3.83 0.00 1.45 1.83 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 536 F 8.49 4.36 0.00 3.35 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 0.00 537 A 8.11 3.79 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 0.00 538 K 7.95 3.87 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.62 7.81 539 L 8.49 4.12 0.00 1.86 1.91 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 540 R 7.91 3.84 0.00 1.77 1.80 0.00 2.89 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.00 541 K 7.92 3.86 0.00 1.91 1.87 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 542 L 7.85 3.80 0.00 1.58 1.47 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 543 R 8.13 4.02 0.00 2.28 2.15 0.00 3.51 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 544 K 8.18 3.87 0.00 1.94 1.93 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.43 7.81 545 S 8.07 4.05 0.00 3.90 3.92 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 0.00 546 I 7.85 3.68 1.79 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.42 0.81 0.00 0.00 547 A 8.22 3.90 1.33 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 0.00 0.00 0.00 548 D 8.57 4.28 0.00 2.71 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 0.00 549 E 7.96 3.93 0.00 1.98 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 0.00 2.33 2.35 0.00 550 S 7.88 4.34 0.00 4.05 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 0.00 551 N 7.77 4.18 0.00 2.78 2.87 0.00 0.00 6.93 7.60 0.00 0.00 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 V 7.59 4.51 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 0.77 0.00 0.00 0.87 0.00 0.00 553 P 0.00 4.35 0.00 1.83 2.04 0.00 3.40 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 554 P 0.00 4.18 0.00 2.21 2.13 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 555 Y 7.90 4.49 0.00 3.05 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 0.00 556 V 6.69 3.31 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 0.60 0.00 0.00 0.25 0.00 0.00 557 V 6.74 2.98 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 -0.26 0.00 0.00 0.49 0.00 0.00 558 F 7.22 4.95 0.00 2.90 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 0.00 559 N 8.75 4.71 0.00 3.06 3.10 0.00 0.00 6.24 8.07 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 0.00 560 D 8.72 4.50 0.00 2.83 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 0.00 561 A 8.04 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.73 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 563 L 7.57 4.12 0.00 2.13 2.05 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 564 I 7.81 3.34 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.20 0.28 0.00 0.00 565 E 8.20 4.39 0.00 1.96 1.92 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 2.25 2.13 0.00 *567 A 8.07 4.33 1.56 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 0.00 568 E 8.26 4.08 0.00 2.30 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 2.37 2.37 0.00 569 Q 8.32 4.05 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 *571 P 0.00 4.33 0.00 2.19 2.20 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 572 I 9.14 4.27 1.89 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 1.38 0.68 0.93 0.00 0.00 573 T 7.88 4.30 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 1.22 0.00 0.00 574 A 8.59 4.13 1.32 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 0.00 0.00 0.00 575 S 8.07 4.25 0.00 3.85 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 0.00 576 E 8.07 4.17 0.00 2.28 1.94 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 2.33 2.28 0.00 *578 L 7.88 4.45 0.00 1.80 1.78 0.93 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.59 4.24 0.00 3.94 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 0.00 580 V 7.50 4.05 1.96 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 1.15 0.00 0.00 0.85 0.00 0.00 581 N 8.56 4.39 0.00 2.82 2.71 0.00 0.00 7.38 7.40 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 0.00 582 G 9.13 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 0.00 583 V 7.51 4.48 2.15 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 0.89 0.00 0.00 0.69 0.00 0.00 584 G 8.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *586 R 9.16 4.18 0.00 1.90 1.97 0.00 3.11 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 1.59 1.65 0.00 587 K 7.95 3.85 0.00 1.97 2.02 0.00 1.51 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.57 7.81 588 L 8.01 4.24 0.00 1.98 1.70 0.98 1.07 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 0.00 589 E 8.08 3.93 0.00 2.07 1.96 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 2.30 2.36 0.00 590 R 7.49 3.81 0.00 1.53 0.87 0.00 2.95 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 591 F 8.52 5.32 0.00 3.06 3.25 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 0.00 592 G 8.45 3.99 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 0.00 0.00 0.00 593 K 8.12 4.08 0.00 1.80 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.59 7.81 594 P 0.00 4.45 0.00 2.05 2.03 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 595 F 8.01 4.15 0.00 3.38 3.09 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 *597 A 8.15 4.24 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 0.00 598 L 8.02 3.93 0.00 1.79 1.85 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 599 I 7.95 3.76 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 1.01 0.00 0.00 600 R 8.04 3.88 0.00 1.90 2.08 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 601 A 8.28 4.04 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 0.00 602 H 8.35 4.08 0.00 3.25 3.52 0.00 5.59 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 0.00 603 V 7.89 3.77 2.11 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 0.89 0.00 0.00 1.06 0.00 0.00 604 D 7.99 4.67 0.00 2.88 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 0.00 605 G 7.69 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 0.00 606 D 8.23 4.49 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.