NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 G 3.9869 8.3393 109.7377 45.4559 0.0000 173.1601 424 S 3.9487 8.6089 113.0454 60.7057 63.2000 172.5798 425 H 4.7930 8.1405 118.9439 55.1651 28.4499 175.3651 426 M 4.4776 8.3570 122.9352 53.8549 34.8519 174.2092 427 A 4.4038 7.8080 128.5959 52.1384 19.4839 176.3954 428 V 4.2312 8.6375 121.7213 61.1124 33.9376 174.5187 429 I 4.5914 8.3829 129.5298 60.6034 37.9627 175.3976 430 T 4.6805 8.5720 116.6480 58.6553 71.6822 173.3274 431 P 3.6200 0.0000 0.0000 65.1352 31.3357 178.0024 432 Q 4.2824 7.7630 115.5213 55.6144 28.9318 175.8724 433 G 3.8180 8.0800 106.4360 43.9745 0.0000 172.8825 434 V 4.1590 8.1240 118.6562 62.9258 32.1558 175.9198 435 T 4.7069 8.6126 116.3521 60.1405 72.0387 172.7528 436 N 4.2901 8.7752 115.6901 53.3599 35.6449 176.6448 437 W 5.1176 7.9033 127.1652 56.2315 31.9966 173.8088 438 T 4.4408 8.6135 117.4781 60.0867 71.5142 174.7494 439 Y 3.8533 8.3259 121.8686 60.9079 38.6584 178.0031 440 Q 3.7047 7.8990 119.8049 59.1964 29.1228 178.1815 441 E 3.5636 7.5357 119.1243 58.9126 29.3942 179.0455 442 L 3.5000 6.6121 120.2087 57.9228 42.1116 178.6267 443 E 3.6589 7.6892 119.3351 59.0737 29.4475 178.6258 444 A 3.9074 7.6625 120.8024 55.3612 18.3136 179.7300 445 T 3.7988 7.8244 114.2816 66.9359 68.4527 176.2147 446 H 4.0123 8.6576 120.4629 59.5649 29.8580 177.3731 447 Q 3.9499 8.2865 119.5259 58.7212 28.6196 178.4949 448 A 3.9723 8.1113 121.9308 55.1761 18.4448 179.6882 449 L 3.9768 8.1183 117.7943 58.1013 41.5927 179.8024 450 T 4.0733 8.1322 116.0030 66.9148 68.2112 176.7808 451 R 3.9675 7.9088 118.5172 59.2412 30.1974 178.3618 452 E 4.2658 7.8631 115.5138 57.0355 29.8779 177.6309 453 G 3.9123 8.0914 108.4518 45.1198 0.0000 172.7828 454 Y 4.9087 7.6562 116.5896 57.1805 39.3674 175.2542 455 V 4.5859 8.9272 121.5826 60.8009 35.0319 174.5541 456 F 3.9232 9.0366 130.2647 58.5158 39.3631 174.8550 457 V 3.9436 8.9479 117.7440 59.8237 33.6821 175.7880 458 G 3.8069 5.3800 109.7692 44.6795 0.0000 170.5458 459 Y 5.1088 8.3209 117.9343 57.3106 39.9645 174.6721 460 H 5.0682 9.5827 123.1144 54.4751 32.6247 172.3940 461 G 4.4600 8.6335 113.1831 45.5872 0.0000 172.2488 462 T 5.0016 8.7277 117.1489 61.8775 71.7110 172.2756 463 N 5.0354 8.7095 120.0132 52.1313 38.5013 175.6541 464 H 4.3099 8.6679 114.3538 58.4156 28.3434 177.9606 465 V 3.5091 7.5424 120.5776 65.9640 31.6219 177.6224 466 A 4.0147 8.4814 120.3653 55.1272 18.1101 179.4416 467 A 4.0082 8.1876 119.3182 55.3571 18.4741 179.6120 468 Q 3.8919 7.8885 118.2144 59.5843 29.1129 178.6007 469 T 3.8727 7.7148 116.6859 66.8343 68.2864 176.7249 470 I 3.8000 7.6853 120.4679 64.2915 37.1944 178.3551 471 V 3.7293 7.8223 118.4269 65.8435 31.3673 177.6488 472 N 4.4850 7.9967 115.4744 54.5155 38.7846 175.5735 473 R 4.3457 7.2892 115.1305 55.4162 33.7915 173.9375 474 I 4.0931 8.5627 126.6457 60.9868 37.8572 175.1251 475 A 4.4795 8.1163 126.5996 49.9815 21.7844 174.0337 476 P 2.9700 0.0000 0.0000 61.7170 32.4571 175.6098 *485 N 4.9860 8.6252 114.7086 53.9533 40.2830 176.1005 486 E 4.0790 8.3871 115.6233 59.4008 30.1401 178.1235 487 E 4.1894 8.3903 119.1818 58.9182 30.2644 178.1165 488 K 3.7363 8.2974 119.5016 59.0576 32.1572 177.5025 489 W 4.9074 8.3408 116.5204 56.3644 29.1894 176.6590 490 G 3.9634 8.1642 108.1909 44.8144 0.0000 174.3886 491 G 2.9514 8.0298 107.9691 45.5025 0.0000 170.6453 492 L 4.2165 6.6760 122.6782 54.1449 42.9840 175.4070 493 Y 4.8460 8.7285 124.4816 57.3500 39.1685 175.2585 494 V 4.9390 8.9480 116.0160 59.8057 37.0663 174.0769 495 A 5.1204 9.0716 122.8492 50.7193 21.8994 177.7461 496 T 4.0104 8.9627 111.6027 63.8622 69.7690 174.1897 497 H 4.6824 8.2860 122.5261 54.7016 30.0329 174.9189 498 A 3.8073 8.7138 130.1522 55.3797 18.1358 178.4777 499 E 3.7815 7.8697 117.0964 59.2381 29.3899 179.0792 500 V 3.6494 7.6897 117.4223 66.1391 31.9766 177.6621 501 A 4.3423 8.1143 119.9574 55.4423 18.2970 178.8703 502 H 4.2276 8.6476 117.2586 59.2475 29.6437 177.6553 503 G 3.5746 7.9667 106.6087 47.1563 0.0000 174.1758 504 Y 4.4467 8.0553 116.7020 57.4285 39.7410 175.5770 505 A 4.8394 7.6750 126.6923 49.3860 17.4797 176.5746 506 R 4.8001 7.0706 115.3711 54.3353 32.0815 175.8260 507 I 3.9239 8.3072 121.2642 61.6074 37.5811 176.7957 508 K 4.5774 8.7484 122.2334 56.4575 34.1100 175.7637 509 E 4.8194 8.1451 119.1475 54.2996 32.2877 175.8378 510 G 3.6347 8.7551 112.8570 45.6248 0.0000 173.3344 511 T 4.3497 8.8780 111.2067 60.9268 69.5252 174.8862 512 G 3.8698 7.9153 113.0089 44.2537 0.0000 172.7332 513 E 3.6623 8.4222 116.7325 57.7809 29.6315 176.7426 514 Y 3.3807 8.7764 118.0511 59.0935 35.4202 170.8601 515 G 3.9813 8.0298 106.0815 45.5395 0.0000 174.7143 516 L 4.1926 7.7574 120.5024 53.6083 42.2216 175.1509 517 P 4.5025 0.0000 0.0000 62.4357 32.1039 176.8255 518 T 4.1511 8.2947 111.0367 61.0548 71.0468 175.5396 519 R 3.8124 8.4311 120.2610 59.6162 30.1382 178.0912 520 A 3.9909 7.9462 119.9276 55.2699 18.1742 179.2642 521 E 3.9183 7.9656 116.0433 59.6387 29.5686 179.5353 522 R 4.1041 7.8780 117.2052 59.1965 30.2544 178.3007 523 D 4.5547 8.1015 116.3302 54.8991 41.3145 176.7424 524 A 4.5053 7.0114 120.7862 52.0168 19.2198 177.1022 525 R 4.7833 8.8284 118.3772 54.3379 34.1281 176.4309 526 G 4.0593 8.9383 110.1786 45.7516 0.0000 172.0356 527 V 4.8789 8.7829 118.9097 61.2861 35.0258 174.4335 528 M 4.9314 8.7705 126.8829 54.3071 33.6671 175.0258 529 L 5.3306 9.2748 124.0924 53.1811 45.3197 175.4780 530 R 4.9942 9.5572 121.3323 54.6623 32.6011 175.2596 531 V 4.9037 8.5161 124.1087 61.3579 34.0645 173.9079 532 Y 5.3150 9.3067 125.1844 56.1136 41.5721 174.6035 533 I 5.0319 8.5547 115.9784 58.1612 41.3591 173.3876 534 P 4.2771 0.0000 0.0000 62.4026 32.0268 177.8792 535 R 3.7941 8.6116 119.4044 59.4490 29.2402 179.0697 536 A 3.9499 7.9404 120.7977 55.1176 18.3272 179.3214 537 S 4.2372 8.2118 113.0071 60.8449 62.6189 176.4671 538 L 3.9222 7.5751 121.3482 57.2128 41.3147 178.5096 539 E 4.0516 7.8676 118.0909 57.9708 29.8763 176.6721 540 R 4.0307 8.0780 118.5861 55.9859 31.5301 175.4069 541 F 4.5238 7.7281 122.7289 56.6106 40.7362 173.4562 542 Y 4.9495 8.1169 123.2734 56.2964 40.3309 174.5670 543 R 4.9966 8.4516 120.4388 55.1284 33.5121 174.0329 544 T 4.8581 8.9683 118.4439 60.5036 70.8478 174.2566 545 N 4.5896 8.8806 122.2776 54.5964 39.2671 175.8904 546 T 4.0960 7.5962 116.2532 62.1253 69.2605 172.8078 547 P 4.3592 0.0000 0.0000 62.8498 32.2226 176.8595 548 L 3.8826 8.8403 125.6863 58.1690 42.0190 178.7052 549 E 3.4242 7.7984 113.5606 57.7758 29.6259 176.7163 550 N 4.7575 8.1958 116.3778 53.2337 39.0564 174.8548 551 A 4.6742 7.9322 120.9540 51.9170 19.6867 178.4529 552 E 3.8722 8.5412 121.2162 60.7748 29.5338 178.9151 553 E 3.8743 8.0930 117.8546 59.5013 29.5215 178.5496 554 H 4.0372 8.1160 117.7032 59.3513 29.8940 177.0574 555 I 2.9442 7.7656 122.0619 64.4418 36.8268 178.6252 556 T 3.8961 7.8153 111.9856 64.0962 68.2909 176.4011 557 Q 3.8327 7.7759 121.7182 58.9167 29.1533 178.1222 558 V 3.5753 7.5519 118.5696 65.6701 31.7079 177.5274 559 I 3.9835 7.7722 110.9946 61.1483 37.8448 176.8211 560 G 3.8628 9.4728 108.7544 45.5587 0.0000 172.2596 561 H 4.6694 7.1290 113.5452 54.0435 30.9076 173.1609 562 S 4.2610 8.3480 114.6882 57.6173 63.5434 174.1594 563 L 3.9623 7.9393 121.5490 54.1265 41.8397 175.4767 564 P 4.7505 0.0000 0.0000 61.0879 32.3634 176.0450 565 L 4.3712 8.1822 118.7618 55.3382 43.7137 175.5020 566 R 4.2825 9.8237 120.3151 56.8457 29.5706 178.3708 567 N 5.0171 9.2060 123.7310 52.8787 38.1639 171.8775 568 E 5.1118 7.5081 118.8311 55.1602 35.3398 175.6361 569 A 5.0758 8.9232 122.0208 50.1653 22.9213 174.9404 570 F 4.8095 8.9179 121.5921 56.6331 43.0270 173.7871 571 T 5.0373 8.2451 121.8455 61.9619 71.9031 173.2721 572 G 4.3869 8.4228 110.2667 44.7318 0.0000 170.7831 573 P 4.8842 0.0000 0.0000 62.7665 32.0538 177.8896 574 E 4.3091 9.5113 122.6694 59.0693 30.8213 176.6952 575 S 4.5742 7.7520 112.7659 56.5643 65.6431 173.3852 576 A 4.1404 8.3267 124.6658 53.6784 18.3796 178.4654 577 G 3.8934 8.9777 110.7218 45.2907 0.0000 173.5997 578 G 4.1173 7.7401 107.0524 44.1419 0.0000 173.6307 579 E 4.4148 8.5247 118.9255 55.9432 30.7924 176.7669 580 D 5.1238 8.6383 121.3368 54.6150 41.8919 175.5285 581 E 4.9986 9.1840 118.2931 54.9641 33.7718 174.4633 582 T 4.8984 8.8449 117.2386 61.7961 72.1314 173.0600 583 V 3.7351 8.5541 127.1750 61.1671 33.3740 174.5154 584 I 4.3381 8.2766 130.4815 59.4394 38.4135 175.8278 585 G 4.0339 8.7211 115.5090 45.5217 0.0000 174.0619 586 W 4.6107 8.8868 122.4442 59.9740 28.8859 178.6902 587 D 4.5135 8.2282 117.4186 57.2418 40.5473 178.0162 588 M 4.3583 8.0757 118.2693 58.5291 32.4568 177.9963 589 A 4.1718 8.4087 121.3480 54.7211 18.3093 179.1978 590 I 4.0610 7.8128 110.5051 63.2932 37.7410 176.9424 591 H 4.8561 7.8852 116.4858 54.9409 29.1892 174.4664 592 A 4.7912 7.6165 123.7306 51.3479 20.1680 177.0874 593 V 4.4289 8.8632 118.3840 61.0403 34.6097 174.0181 594 A 5.5262 8.7408 129.1512 50.1698 21.0212 175.5443 595 I 4.6526 8.8131 115.5905 58.0712 41.3004 173.3819 596 P 4.8413 0.0000 0.0000 62.9910 31.8024 176.2535 597 S 4.9523 9.2388 119.3132 58.2645 63.3513 174.0351 598 T 4.5316 9.7528 112.3593 61.8833 69.1867 175.1591 599 I 3.9327 7.9621 125.1024 60.4351 37.4556 174.3216 600 P 4.3798 0.0000 0.0000 62.5915 31.7440 176.4535 601 G 4.2377 8.3527 108.4945 45.8792 0.0000 171.1754 602 N 5.0879 8.4537 117.9793 52.7476 41.8424 173.2395 603 A 4.8992 8.4961 118.6560 51.0142 22.4205 176.5089 604 Y 4.2982 8.8790 119.4580 59.7745 38.7613 176.5291 605 E 4.3120 8.0741 119.2811 54.5400 30.0832 175.9532 606 E 4.3257 8.5578 124.0254 56.3962 30.2207 176.4996 607 L 4.8162 8.3811 120.8177 52.4916 45.2602 176.4872 608 A 4.1627 8.3609 124.4118 51.6061 19.0889 177.6229 609 I 3.3400 7.9388 121.2742 60.9543 38.8127 176.3501 610 D 4.5540 8.2958 125.2872 53.4059 40.9643 176.7738 611 E 3.9799 8.5166 127.8889 58.9845 29.6070 178.6600 612 E 3.8575 8.2445 119.0432 59.2015 29.6059 178.5834 613 A 3.9984 8.1732 120.5597 54.8002 18.1938 179.7018 614 V 3.4659 7.4876 115.8398 66.2209 31.8977 177.8624 615 A 4.0830 8.1579 120.5619 54.9524 17.9590 179.4307 616 K 3.6054 7.8199 117.3205 59.2192 32.6463 177.9977 617 E 4.4005 7.8334 116.5472 56.6079 29.7692 177.8580 618 Q 4.0016 7.7762 121.5507 59.3816 28.9193 178.5148 619 S 4.2820 8.0713 113.1136 60.1999 63.1147 175.1400 620 I 4.3389 7.1597 114.8113 60.4335 37.7008 175.5596 621 S 3.7247 7.6983 115.1626 58.3520 64.0615 174.6083 622 T 4.1447 7.9225 109.5736 61.1687 69.1913 174.0630 623 K 4.1545 8.4831 122.8333 55.9371 32.6614 175.4290 624 P 4.3740 0.0000 0.0000 61.2101 32.2008 174.2155 625 P 4.2888 0.0000 0.0000 62.8626 31.9408 175.1311 626 Y 5.0432 8.1199 117.0448 56.2387 41.5513 175.7946 627 K 4.3655 8.9778 122.5656 55.5593 33.0324 176.7486 628 E 4.5151 8.5694 125.4617 56.2441 29.6442 175.2961 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 423 G 8.34 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 0.00 424 S 8.61 3.95 0.00 4.02 3.97 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 0.00 425 H 8.14 4.79 0.00 3.29 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.36 4.48 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 427 A 7.81 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 428 V 8.64 4.23 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 1.02 0.00 0.00 0.99 0.00 0.00 429 I 8.38 4.59 2.05 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 1.38 0.61 0.99 0.00 0.00 430 T 8.57 4.68 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 431 P 0.00 3.62 0.00 2.11 1.95 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 432 Q 7.76 4.28 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.27 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 433 G 8.08 3.82 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 0.00 0.00 0.00 434 V 8.12 4.16 2.19 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 0.86 0.00 0.00 0.97 0.00 0.00 435 T 8.61 4.71 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 436 N 8.78 4.29 0.00 2.95 3.02 0.00 0.00 6.62 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 0.00 437 W 7.90 5.12 0.00 3.35 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 0.00 438 T 8.61 4.44 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 439 Y 8.33 3.85 0.00 3.08 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 0.00 440 Q 7.90 3.70 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 441 E 7.54 3.56 0.00 1.41 1.28 0.00 0.00 0.00 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 2.10 0.00 442 L 6.61 3.50 0.00 1.19 1.25 1.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.69 3.66 0.00 1.16 1.49 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 2.19 2.40 0.00 444 A 7.66 3.91 1.24 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 0.00 0.00 0.00 445 T 7.82 3.80 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 446 H 8.66 4.01 0.00 3.24 3.47 0.00 5.78 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 0.00 447 Q 8.29 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 448 A 8.11 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 L 8.12 3.98 0.00 1.47 1.42 -0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 450 T 8.13 4.07 4.42 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 1.22 0.00 0.00 451 R 7.91 3.97 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 452 E 7.86 4.27 0.00 2.31 2.06 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 2.59 2.55 0.00 453 G 8.09 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 0.00 454 Y 7.66 4.91 0.00 3.07 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 0.00 455 V 8.93 4.59 1.97 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 0.91 0.00 0.00 0.89 0.00 0.00 456 F 9.04 3.92 0.00 2.51 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 0.00 457 V 8.95 3.94 2.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 540 R 8.08 4.03 0.00 1.76 1.89 0.00 3.26 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 541 F 7.73 4.52 0.00 3.16 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 0.00 542 Y 8.12 4.95 0.00 1.43 1.67 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 0.00 543 R 8.45 5.00 0.00 1.15 1.66 0.00 2.21 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.27 0.00 544 T 8.97 4.86 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 545 N 8.88 4.59 0.00 2.74 2.83 0.00 0.00 7.00 7.54 0.00 0.00 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 T 7.60 4.10 4.20 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 1.18 0.00 0.00 547 P 0.00 4.36 0.00 2.31 1.95 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 548 L 8.84 3.88 0.00 1.77 1.46 1.01 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 0.00 549 E 7.80 3.42 0.00 1.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 550 N 8.20 4.76 0.00 2.76 2.85 0.00 0.00 6.74 7.57 0.00 0.00 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 A 7.93 4.67 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 0.00 552 E 8.54 3.87 0.00 2.22 2.02 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 2.27 2.17 0.00 553 E 8.09 3.87 0.00 2.03 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 2.37 2.36 0.00 554 H 8.12 4.04 0.00 3.20 3.40 0.00 5.88 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 0.00 555 I 7.77 2.94 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.49 0.00 0.00 556 T 7.82 3.90 4.18 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 0.00 0.00 0.00 1.08 0.00 0.00 557 Q 7.78 3.83 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 558 V 7.55 3.58 2.07 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 0.14 0.00 0.00 0.76 0.00 0.00 559 I 7.77 3.98 1.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.94 0.00 0.00 560 G 9.47 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 561 H 7.13 4.67 0.00 3.30 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.35 4.26 0.00 3.93 3.86 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 0.00 0.00 0.00 563 L 7.94 3.96 0.00 1.31 1.45 -0.34 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.75 0.00 2.21 2.30 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 565 L 8.18 4.37 0.00 1.63 1.81 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 566 R 9.82 4.28 0.00 1.85 1.49 0.00 2.89 0.00 0.00 3.01 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 567 N 9.21 5.02 0.00 2.74 2.81 0.00 0.00 6.64 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 0.00 568 E 7.51 5.11 0.00 2.09 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 0.00 2.54 2.55 0.00 569 A 8.92 5.08 0.56 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 0.00 570 F 8.92 4.81 0.00 3.15 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 0.00 571 T 8.25 5.04 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 1.03 0.00 0.00 572 G 8.42 4.39 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 0.00 573 P 0.00 4.88 0.00 2.09 2.14 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 574 E 9.51 4.31 0.00 2.08 2.25 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 2.35 2.55 0.00 575 S 7.75 4.57 0.00 3.95 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 0.00 576 A 8.33 4.14 1.25 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 0.00 0.00 577 G 8.98 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 0.00 578 G 7.74 4.12 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 0.00 0.00 0.00 579 E 8.52 4.41 0.00 1.95 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 2.39 2.32 0.00 580 D 8.64 5.12 0.00 2.59 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 0.00 581 E 9.18 5.00 0.00 2.05 2.07 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 2.32 2.22 0.00 582 T 8.84 4.90 4.31 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 1.04 0.00 0.00 583 V 8.55 3.74 1.89 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 0.68 0.00 0.00 0.20 0.00 0.00 584 I 8.28 4.34 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.93 0.00 0.00 585 G 8.72 4.03 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 0.00 0.00 0.00 586 W 8.89 4.61 0.00 3.46 3.22 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 0.00 587 D 8.23 4.51 0.00 2.85 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 0.00 588 M 8.08 4.36 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 589 A 8.41 4.17 1.34 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 0.00 0.00 590 I 7.81 4.06 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.32 1.14 0.00 0.00 591 H 7.89 4.86 0.00 3.35 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 A 7.62 4.79 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 0.00 593 V 8.86 4.43 1.71 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 0.81 0.00 0.00 0.42 0.00 0.00 594 A 8.74 5.53 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 595 I 8.81 4.65 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.83 0.00 0.00 596 P 0.00 4.84 0.00 1.40 1.92 0.00 3.12 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 597 S 9.24 4.95 0.00 4.29 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 0.00 598 T 9.75 4.53 4.35 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 1.28 0.00 0.00 599 I 7.96 3.93 1.86 0.00 0.00 0.57 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 0.59 0.85 0.00 0.00 600 P 0.00 4.38 0.00 2.08 2.04 0.00 3.69 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 2.05 2.13 0.00 601 G 8.35 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 0.00 0.00 0.00 0.00 602 N 8.45 5.09 0.00 2.56 2.68 0.00 0.00 7.30 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 0.00 603 A 8.50 4.90 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 0.00 604 Y 8.88 4.30 0.00 2.92 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 0.00 605 E 8.07 4.31 0.00 2.05 1.89 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 2.26 2.48 0.00 606 E 8.56 4.33 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 2.23 2.21 0.00 607 L 8.38 4.82 0.00 1.62 1.55 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 608 A 8.36 4.16 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 0.00 609 I 7.94 3.34 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.83 0.00 0.00 610 D 8.30 4.55 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 E 8.52 3.98 0.00 1.99 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 2.36 2.28 0.00 612 E 8.24 3.86 0.00 2.00 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 0.00 2.33 2.34 0.00 613 A 8.17 4.00 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 0.00 614 V 7.49 3.47 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 0.81 0.00 0.00 0.86 0.00 0.00 615 A 8.16 4.08 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 0.00 616 K 7.82 3.61 0.00 1.67 1.84 0.00 1.19 0.00 0.00 1.35 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 0.35 7.81 617 E 7.83 4.40 0.00 2.10 2.06 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 2.55 2.40 0.00 618 Q 7.78 4.00 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 619 S 8.07 4.28 0.00 4.06 3.97 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 0.00 620 I 7.16 4.34 1.22 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 1.61 0.54 0.86 0.00 0.00 621 S 7.70 3.72 0.00 3.75 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 T 7.92 4.14 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 623 K 8.48 4.15 0.00 1.86 1.90 0.00 2.03 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.57 7.81 624 P 0.00 4.37 0.00 1.64 1.85 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.69 0.00 625 P 0.00 4.29 0.00 2.10 2.00 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 626 Y 8.12 5.04 0.00 2.88 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 0.00 627 K 8.98 4.37 0.00 1.61 1.84 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 628 E 8.57 4.52 0.00 1.99 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 0.00 2.22 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.