NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 486 E 4.3403 8.4449 121.4783 55.7169 30.8351 175.3858 487 E 4.3643 8.7280 125.2147 56.0551 30.7264 172.8888 488 E 4.7143 9.2387 122.5136 54.3498 33.0462 174.6373 489 Y 4.1120 8.9242 126.6622 58.2693 38.9756 174.3343 490 V 4.0998 8.0801 124.5293 63.7110 33.8967 175.1693 491 S 4.3850 7.4799 111.4211 56.0782 66.1766 172.8512 492 P 4.2835 0.0000 0.0000 65.8522 31.2588 178.0914 493 R 3.9500 7.6967 117.8148 58.0078 31.4269 176.4037 494 F 5.2287 7.9587 117.4816 55.2891 42.2411 174.2022 495 L 4.9920 8.7628 124.8377 53.1123 45.6811 174.8828 496 V 5.0797 8.5889 124.4400 61.2467 33.9577 174.3540 497 A 4.8671 9.2286 128.8831 51.2487 22.9585 175.7253 498 D 4.4918 10.0781 120.2465 55.4170 38.9878 174.9738 499 G 3.8901 8.5786 104.8348 45.3702 0.0000 173.4184 500 F 5.0285 8.5094 118.9250 55.0705 41.7701 174.0494 501 L 4.7296 8.6439 127.2358 54.9341 43.3757 175.1049 502 I 4.8983 9.4756 128.5625 59.5904 40.0690 174.2631 503 D 4.1526 9.2518 127.7034 53.3356 41.3382 176.7589 504 L 4.1190 8.4421 127.1262 56.8454 41.8211 178.9195 505 A 4.0294 7.9459 121.4476 55.0716 18.5556 178.5035 506 E 4.0580 8.4010 113.9460 57.0639 30.5315 176.2070 507 E 3.8149 9.1776 117.0642 55.9736 26.6238 173.1475 508 K 4.9115 7.1815 116.0046 55.1325 36.3520 174.7087 509 P 5.1326 0.0000 0.0000 62.9628 32.1525 175.9352 510 I 4.6735 8.6695 123.0265 58.9889 40.8146 175.1674 511 N 3.1400 7.6188 124.1063 52.5089 38.8198 173.7733 512 P 4.0220 0.0000 0.0000 64.9411 31.2450 176.9014 513 K 4.2538 7.3170 116.5999 55.8298 32.4482 175.2904 514 D 4.2963 7.8603 121.0908 53.4471 41.4901 175.1231 515 P 4.1384 0.0000 0.0000 66.0889 31.2229 178.5569 516 R 4.0249 8.4045 116.2910 58.6397 29.9448 178.5017 517 L 4.0158 8.0802 118.6864 56.6060 41.2860 179.0280 518 L 4.0190 7.6173 118.7636 57.1214 41.5648 178.4505 519 T 4.2710 7.6377 108.1223 63.7287 69.7381 176.6295 520 L 4.1608 7.8004 120.9714 55.5977 42.1587 177.2790 521 L 4.6761 7.0046 116.9824 52.4272 44.3614 177.1083 522 K 4.3087 8.4325 121.5597 55.6384 34.2151 178.2296 523 D 4.3521 8.5590 120.0980 58.0570 40.4340 178.8089 524 H 4.1812 8.0912 116.8758 59.5085 30.0613 176.9312 525 Q 3.9709 7.8980 118.0834 58.8985 28.9834 178.4688 526 R 4.0229 8.1306 118.9426 58.5200 29.5933 179.1670 527 A 4.1581 7.8115 119.1303 52.4988 18.0258 179.3034 *529 I 3.8447 7.6938 122.9717 63.0837 39.0262 177.3393 530 D 4.4130 7.7708 118.2252 57.1100 41.0173 176.7454 531 Q 4.2367 7.1320 118.6033 55.8213 28.4877 177.4019 *533 N 4.4591 7.7028 114.1409 53.3682 39.1523 174.3522 534 L 4.5455 7.5112 120.9980 52.5712 44.3517 176.2851 535 V 3.5818 7.6426 120.8980 63.2043 31.7270 175.4967 536 K 4.3486 8.3977 127.0834 55.5313 33.0325 178.0036 537 W 3.4916 8.9940 125.3341 58.9605 28.6851 178.2042 538 N 4.4977 8.1274 116.6205 55.6288 36.7178 176.7433 539 D 4.4375 7.3762 121.3549 57.1178 40.7147 178.1645 540 F 4.2400 7.6329 117.6797 59.4444 38.5992 177.5779 541 K 4.1731 7.6735 117.0098 59.1169 31.8590 178.3410 542 K 4.2547 8.0267 117.5544 58.7887 32.4053 177.1489 543 Y 4.2685 7.9602 117.4824 57.9739 38.1122 175.8588 544 Q 4.2511 8.8287 124.0569 57.6655 29.4596 175.8152 545 D 4.9879 7.7993 116.1917 51.5166 43.0764 173.6771 546 P 4.6530 0.0000 0.0000 63.1934 32.7784 175.5316 547 I 4.4928 8.9437 121.6043 58.7734 38.7852 173.6849 548 P 3.6221 0.0000 0.0000 62.0670 32.2521 175.4468 549 L 4.6866 8.2908 125.8935 52.3148 44.9012 177.3607 550 K 4.4120 8.5821 128.3024 56.3381 31.9077 177.3210 551 A 4.4455 7.9713 121.0636 52.3293 19.2484 178.2838 552 K 4.4501 9.1867 120.3608 57.5492 33.5720 177.9605 553 T 4.4060 7.9753 112.6015 65.1360 71.5923 175.6295 554 L 3.8419 8.9908 123.5651 58.3174 41.9380 179.0658 555 F 4.3624 7.7020 114.0016 59.1557 39.0783 176.4842 556 K 3.9100 7.9974 121.8494 58.1301 32.0055 177.2715 557 F 4.9019 7.6809 115.4581 57.4466 40.7066 175.2500 558 C 4.8369 7.8763 118.3229 57.6767 29.3812 173.3328 559 K 4.2957 8.6404 124.7051 57.1094 32.8557 176.5257 560 Q 5.0958 8.7466 122.0074 54.2898 31.8108 174.4759 561 I 4.6830 8.6704 113.8582 59.1397 41.2096 174.3770 562 K 4.9639 8.4828 122.6114 55.3363 33.2176 176.1035 563 K 4.4445 8.9211 125.3675 54.5419 36.0968 175.0887 564 K 4.6320 8.0901 125.0886 56.1063 33.2916 175.9455 565 F 4.8698 8.8290 121.4904 55.8942 44.4971 172.8609 566 L 4.7419 9.4167 123.1064 54.0249 43.3564 175.1825 567 R 4.6299 8.7239 127.3686 55.7228 31.1537 176.0828 568 G 3.9883 8.6030 115.2896 43.4257 0.0000 174.0376 569 A 3.6617 8.2780 121.5366 54.7727 18.2606 178.1850 570 D 4.4197 7.8539 112.8148 53.2206 39.6481 176.8223 571 F 3.9416 7.5244 116.7178 58.3739 37.3751 174.8882 572 K 4.5564 8.1075 121.5220 55.1143 33.9107 174.8343 573 L 4.9304 7.8465 119.5069 54.0590 43.0639 176.4505 574 H 5.1489 8.9976 118.0609 54.0720 33.7057 173.0480 575 T 4.4157 8.9459 118.2493 63.6059 68.8668 174.5005 576 L 3.8905 8.7526 125.7497 54.5960 42.0931 175.5388 577 P 4.5288 0.0000 0.0000 62.1380 32.3805 175.8225 578 T 4.0534 8.1492 108.1763 61.1979 69.3605 174.6537 579 E 3.8152 9.0067 123.4602 59.5669 29.5693 178.2440 580 A 4.0590 8.1533 119.4015 54.4973 18.4791 176.4697 581 N 4.8444 7.6275 111.4426 51.5667 41.3220 173.9172 *590 T 4.3071 8.0726 114.3334 63.8977 69.7003 174.0344 591 V 4.5555 8.1841 118.4284 59.3201 35.8060 174.2899 592 L 4.8383 8.4669 125.2497 54.1600 43.0025 175.5512 593 A 4.8163 8.9378 127.7064 50.0810 22.5484 174.9533 594 S 4.9461 8.6536 117.9233 58.3882 63.7357 173.4593 595 C 4.9965 9.0678 118.3759 57.1447 33.7808 173.1027 596 V 4.7253 9.2624 121.2695 60.4330 32.8406 173.0732 597 P 4.9316 0.0000 0.0000 62.7674 32.0649 175.7672 598 I 4.6883 8.4546 116.1878 58.9582 41.2849 173.7886 599 L 5.0094 8.6878 125.9866 53.5839 43.3172 176.2980 600 L 4.7785 9.0179 127.7376 53.7812 42.7743 177.7483 601 D 4.3695 8.6701 118.7607 56.2951 39.4734 177.1641 602 D 4.3621 8.3371 118.5661 55.5913 41.0809 176.3063 603 Q 3.6442 8.0452 116.0960 57.0170 27.0304 173.2476 604 T 4.6124 7.6249 106.9185 60.4336 71.6286 173.1749 605 V 4.5987 8.1422 122.2501 61.7352 33.3186 174.3033 606 Q 4.4389 8.5529 127.2890 54.5673 33.6010 172.9276 607 Y 5.1977 7.9875 116.5241 56.4238 42.3125 174.4713 608 L 5.1713 9.1165 124.7432 53.5134 44.1551 175.2312 609 Y 4.9992 8.4664 119.7664 55.1965 42.1560 173.7915 610 D 4.7705 7.9887 120.6984 53.5637 41.7052 175.5079 611 D 4.5345 8.4120 125.5551 54.4933 40.8528 175.8739 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 486 E 8.44 4.34 0.00 1.96 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 2.22 2.44 0.00 487 E 8.73 4.36 0.00 2.04 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 2.46 2.51 0.00 488 E 9.24 4.71 0.00 1.88 1.85 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 2.24 2.23 0.00 489 Y 8.92 4.11 0.00 2.95 2.89 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 0.00 490 V 8.08 4.10 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 0.78 0.00 0.00 0.93 0.00 0.00 491 S 7.48 4.38 0.00 3.99 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 0.00 492 P 0.00 4.28 0.00 2.08 2.22 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 493 R 7.70 3.95 0.00 1.95 1.90 0.00 2.93 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.23 0.00 494 F 7.96 5.23 0.00 2.94 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 0.00 495 L 8.76 4.99 0.00 1.50 1.25 0.89 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 496 V 8.59 5.08 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 1.01 0.00 0.00 0.94 0.00 0.00 497 A 9.23 4.87 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 0.00 498 D 10.08 4.49 0.00 2.97 2.88 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 0.00 499 G 8.58 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 0.00 500 F 8.51 5.03 0.00 3.29 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 0.00 501 L 8.64 4.73 0.00 1.77 1.72 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 502 I 9.48 4.90 1.94 0.00 0.00 1.00 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 1.07 1.00 0.00 0.00 503 D 9.25 4.15 0.00 2.71 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 0.00 504 L 8.44 4.12 0.00 1.41 1.57 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 505 A 7.95 4.03 1.20 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 0.00 0.00 506 E 8.40 4.06 0.00 1.93 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 2.32 2.26 0.00 507 E 9.18 3.81 0.00 2.26 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 2.24 2.24 0.00 508 K 7.18 4.91 0.00 1.87 1.90 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 509 P 0.00 5.13 0.00 2.34 2.39 0.00 3.68 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 1.88 2.03 0.00 510 I 8.67 4.67 1.95 0.00 0.00 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 1.26 1.09 0.82 0.00 0.00 511 N 7.62 3.14 0.00 1.78 2.20 0.00 0.00 6.91 7.71 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 0.00 512 P 0.00 4.02 0.00 2.03 2.01 0.00 2.78 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 1.70 1.80 0.00 513 K 7.32 4.25 0.00 1.59 1.73 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.23 7.81 514 D 7.86 4.30 0.00 2.62 2.41 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 0.00 515 P 0.00 4.14 0.00 2.16 2.08 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 516 R 8.40 4.02 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 517 L 8.08 4.02 0.00 1.51 1.47 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 518 L 7.62 4.02 0.00 1.61 1.69 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 519 T 7.64 4.27 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 1.20 0.00 0.00 520 L 7.80 4.16 0.00 1.59 1.88 1.07 1.07 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 0.00 521 L 7.00 4.68 0.00 1.56 1.36 0.34 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 522 K 8.43 4.31 0.00 1.84 1.73 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.47 7.81 523 D 8.56 4.35 0.00 2.67 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 0.00 524 H 8.09 4.18 0.00 3.11 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 Q 7.90 3.97 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 526 R 8.13 4.02 0.00 1.91 1.88 0.00 3.04 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 527 A 7.81 4.16 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 I 7.69 3.84 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.80 0.00 0.00 530 D 7.77 4.41 0.00 2.80 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 0.00 531 Q 7.13 4.24 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 *533 N 7.70 4.46 0.00 2.71 2.80 0.00 0.00 7.15 7.85 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 0.00 534 L 7.51 4.55 0.00 1.42 1.56 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 535 V 7.64 3.58 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 0.62 0.00 0.00 0.67 0.00 0.00 536 K 8.40 4.35 0.00 1.63 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 537 W 8.99 3.49 0.00 3.38 3.29 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 0.00 538 N 8.13 4.50 0.00 2.92 3.09 0.00 0.00 6.30 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 0.00 539 D 7.38 4.44 0.00 2.18 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 0.00 540 F 7.63 4.24 0.00 3.09 2.73 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 0.00 0.00 0.00 0.00 541 K 7.67 4.17 0.00 1.98 1.95 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.56 7.81 542 K 8.03 4.25 0.00 2.11 1.97 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.52 7.81 543 Y 7.96 4.27 0.00 3.06 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.25 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 545 D 7.80 4.99 0.00 2.72 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 0.00 546 P 0.00 4.65 0.00 1.98 1.98 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.00 547 I 8.94 4.49 1.47 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 0.75 0.71 0.65 0.00 0.00 548 P 0.00 3.62 0.00 1.86 1.63 0.00 3.45 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 549 L 8.29 4.69 0.00 1.67 1.57 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 550 K 8.58 4.41 0.00 1.82 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 551 A 7.97 4.45 1.38 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 0.00 0.00 552 K 9.19 4.45 0.00 1.80 1.91 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.57 7.81 553 T 7.98 4.41 4.46 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 0.00 0.00 1.56 0.00 0.00 554 L 8.99 3.84 0.00 1.56 1.08 0.45 -0.15 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 0.00 555 F 7.70 4.36 0.00 3.05 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 0.00 556 K 8.00 3.91 0.00 1.36 0.87 0.00 1.54 0.00 0.00 1.12 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.87 1.14 7.81 557 F 7.68 4.90 0.00 3.09 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 0.00 558 C 7.88 4.84 0.00 2.91 2.86 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 0.00 559 K 8.64 4.30 0.00 1.81 2.02 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.47 7.81 560 Q 8.75 5.10 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 561 I 8.67 4.68 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.97 0.00 0.00 562 K 8.48 4.96 0.00 1.63 1.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 563 K 8.92 4.44 0.00 1.50 1.32 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.76 7.81 564 K 8.09 4.63 0.00 1.44 1.56 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.30 7.81 565 F 8.83 4.87 0.00 2.85 2.83 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 0.00 566 L 9.42 4.74 0.00 1.82 1.68 0.92 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 0.00 0.00 0.00 0.00 567 R 8.72 4.63 0.00 1.88 1.84 0.00 3.34 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 568 G 8.60 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 0.00 569 A 8.28 3.66 1.14 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 0.00 0.00 570 D 7.85 4.42 0.00 2.81 2.75 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 0.00 0.00 0.00 0.00 571 F 7.52 3.94 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 K 8.11 4.56 0.00 1.87 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.59 7.81 573 L 7.85 4.93 0.00 0.61 0.82 -0.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 574 H 9.00 5.15 0.00 3.03 3.26 0.00 5.62 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 0.00 575 T 8.95 4.42 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 1.28 0.00 0.00 576 L 8.75 3.89 0.00 1.57 1.60 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 577 P 0.00 4.53 0.00 2.08 2.08 0.00 3.76 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 1.98 1.95 0.00 578 T 8.15 4.05 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 0.00 579 E 9.01 3.82 0.00 1.91 2.05 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 2.29 2.40 0.00 580 A 8.15 4.06 1.29 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 0.00 0.00 0.00 581 N 7.63 4.84 0.00 2.71 2.76 0.00 0.00 7.04 6.96 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 *590 T 8.07 4.31 4.22 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 1.21 0.00 0.00 591 V 8.18 4.56 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 0.71 0.00 0.00 0.98 0.00 0.00 592 L 8.47 4.84 0.00 1.59 1.54 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 593 A 8.94 4.82 1.21 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 0.00 0.00 594 S 8.65 4.95 0.00 3.69 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 0.00 595 C 9.07 5.00 0.00 3.30 3.08 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 0.00 0.00 0.00 0.00 596 V 9.26 4.73 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 0.87 0.00 0.00 1.12 0.00 0.00 597 P 0.00 4.93 0.00 2.12 2.22 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 598 I 8.45 4.69 1.41 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.90 0.70 0.00 0.00 599 L 8.69 5.01 0.00 1.72 1.75 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 600 L 9.02 4.78 0.00 1.82 1.74 1.01 0.79 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 0.00 601 D 8.67 4.37 0.00 2.79 2.84 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 0.00 602 D 8.34 4.36 0.00 2.70 2.91 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 0.00 603 Q 8.05 3.64 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 604 T 7.62 4.61 4.27 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 1.27 0.00 0.00 605 V 8.14 4.60 1.98 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 0.35 0.00 0.00 0.92 0.00 0.00 606 Q 8.55 4.44 0.00 1.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 607 Y 7.99 5.20 0.00 3.05 2.89 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 0.00 608 L 9.12 5.17 0.00 1.51 1.45 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 609 Y 8.47 5.00 0.00 2.96 2.83 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 0.00 610 D 7.99 4.77 0.00 1.58 2.28 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 0.00 611 D 8.41 4.53 0.00 2.56 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 * Residues marked with a * may have inaccurate shift predictions.