NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 P 4.3996 0.0000 0.0000 62.8192 31.7348 173.7927 547 R 4.2801 7.8906 122.0943 57.6238 32.0622 172.9527 548 P 4.4533 0.0000 0.0000 62.6670 33.1408 174.1911 549 R 4.9160 8.6920 125.1463 55.0580 32.2657 174.6865 550 I 5.0637 8.7701 126.5011 59.4474 40.5309 174.1430 551 L 4.4335 8.6756 129.3081 53.7305 42.8092 175.6680 552 I 4.5300 8.6569 128.4364 59.6645 38.3378 175.4068 553 C 4.6945 8.8786 129.5090 57.6529 32.1471 171.5280 554 E 4.8887 8.8690 126.3537 54.5479 32.3993 175.5500 555 D 4.3186 8.9559 126.2788 56.7728 42.0307 176.4493 556 D 4.4893 8.5858 119.8128 53.1492 42.0732 174.8750 557 P 4.2897 0.0000 0.0000 65.8118 31.3836 178.4389 558 D 4.3565 8.4520 117.6373 57.4417 40.7167 178.9244 559 I 3.7111 7.9368 119.6235 64.1200 37.1282 177.9657 560 A 3.9822 8.4289 122.1187 55.4323 18.1845 179.7370 561 R 3.8234 8.0912 117.0116 59.2163 29.8866 178.2735 562 L 3.9334 7.9922 119.8087 58.3145 42.1671 178.6937 563 L 4.1162 8.0114 117.6786 57.6898 41.9673 178.6157 564 N 4.5054 8.2541 117.0423 56.6716 39.0317 177.8789 565 L 4.4084 8.1758 119.7604 55.0391 41.9092 179.1904 *567 L 4.4580 7.9299 120.7384 54.9966 43.9305 178.9931 568 E 4.3211 8.1665 118.1533 58.6225 29.6571 178.8144 569 K 3.8994 7.8858 118.1423 59.0812 32.2225 177.3929 570 G 3.7999 8.0006 105.0669 45.6087 0.0000 174.1049 571 G 3.7121 8.6790 109.2507 44.8334 0.0000 172.6219 572 F 5.1765 8.5170 118.4143 55.6007 41.7663 175.0448 573 D 5.1387 8.6241 122.4687 54.0652 42.7528 175.4377 574 S 5.1179 8.2275 113.1934 58.2294 65.8422 173.7173 575 D 5.0857 8.5588 120.6040 53.2051 44.7684 175.2628 *577 V 3.8997 8.2481 111.6285 62.5042 33.3401 176.0154 578 H 4.8981 9.1559 118.7995 54.7518 29.3365 174.9071 579 S 4.6261 7.4521 113.7202 56.0138 66.6943 174.9158 580 A 3.9432 8.5456 124.2504 55.1445 18.2391 179.7794 581 A 3.9171 7.7492 117.9361 55.6154 18.5238 179.8269 582 Q 3.9232 7.8943 115.7752 58.9611 28.6859 178.9372 583 A 3.8461 8.0281 121.6137 55.3183 18.2518 179.4613 584 L 3.8408 7.7712 115.9886 58.0296 41.7299 179.3877 585 E 4.0648 8.1008 118.7901 59.3346 29.6133 178.6317 586 Q 4.0911 8.6524 120.2482 59.1251 28.9301 178.4472 587 V 3.7592 8.4056 119.3043 64.0790 31.3442 177.1452 588 A 4.5234 7.3724 117.5908 52.1592 19.3697 177.7159 589 R 4.0581 8.2706 118.5740 58.5766 30.4943 176.0962 590 R 4.4823 7.3784 111.1451 54.2395 31.7458 172.4351 591 P 4.3411 0.0000 0.0000 62.6822 31.7573 175.8571 592 Y 4.7299 8.2749 119.6128 56.1701 41.2007 175.5256 593 A 4.2836 9.1097 126.6413 54.2991 19.9303 177.0792 594 A 4.9135 7.6608 115.9627 52.7008 23.6512 174.9058 *596 T 4.4109 8.3045 103.2573 61.9776 70.8157 173.4440 597 V 4.7074 8.3317 123.5499 61.1248 34.9071 173.4466 598 D 5.1770 8.4830 127.7231 52.6733 41.6529 176.0239 599 L 4.0848 8.5794 126.9204 57.9956 42.5081 177.7134 600 N 4.8611 7.9669 117.7685 53.1437 36.4533 173.8193 601 L 4.6394 7.4898 121.4015 51.5981 43.7969 174.1696 602 P 4.3581 0.0000 0.0000 65.4969 32.8984 179.7009 603 D 4.6966 8.2443 121.8399 52.1968 38.8956 180.1128 604 Q 3.9287 9.2691 114.5064 56.0932 29.5804 175.3226 605 D 4.6789 8.6294 123.4409 54.3198 43.3220 177.4033 606 G 3.6350 8.3013 108.3586 47.5117 0.0000 176.5508 607 V 3.9127 8.0625 120.2671 66.0245 31.6336 177.8507 608 S 4.1354 8.2011 112.4599 61.4592 62.1151 175.7911 609 L 3.9450 7.7036 122.7553 58.3571 41.9488 179.0507 610 I 3.7103 7.6871 119.3521 64.4160 36.9729 178.7022 611 R 4.0898 8.4299 118.8198 59.0518 29.9008 178.8963 612 A 3.9988 8.0224 120.5583 55.3328 18.2195 179.7414 613 L 3.9716 7.6916 116.0918 57.9361 41.7238 179.6318 614 R 4.1476 7.8005 116.7463 58.4866 30.1298 178.9544 615 R 4.1974 7.6873 117.7823 57.9510 30.6067 176.7324 616 D 4.4586 7.7607 120.1938 53.7982 41.3347 177.0392 617 S 4.3002 8.6522 121.8053 60.8005 63.3510 175.7256 618 R 4.0726 8.7333 120.4428 58.6181 29.8907 177.1177 619 T 4.6065 7.8545 110.3806 61.4490 68.1060 175.4142 620 R 3.9947 8.1283 121.9423 58.3819 30.1753 176.7288 621 D 4.7560 7.8034 114.4996 53.3406 41.6859 175.9433 622 L 3.8585 7.4809 122.1880 54.8794 42.4175 176.6401 623 A 4.0449 8.5791 129.1078 52.4050 19.1398 175.7669 624 I 4.5728 8.0554 122.3412 59.2857 41.2701 174.3780 625 V 4.4119 8.0971 126.2229 60.9011 34.3351 174.1373 626 V 4.2640 7.9452 128.2294 61.9423 32.7770 174.9642 627 V 4.8684 8.4933 126.9165 61.7395 34.0852 173.7453 628 S 4.6080 9.0703 121.3332 56.8978 65.8513 174.8662 629 A 4.0018 8.9499 127.4834 55.1315 18.6770 178.6315 630 N 5.1653 8.0770 113.0261 51.4741 38.0691 175.3606 631 A 4.3070 8.1368 124.4515 55.2008 19.0387 179.2982 632 R 3.7621 8.4586 116.8236 59.6709 29.9601 179.0592 633 E 4.0156 8.2323 117.7071 59.4788 29.1497 179.5742 634 G 3.6923 7.8024 104.1524 47.4055 0.0000 175.4615 635 E 2.5400 7.2619 120.6784 58.1101 29.6866 178.3741 636 L 3.9635 7.3070 120.5920 57.9238 41.9864 178.3161 637 E 3.8948 7.5255 117.9314 58.2682 29.6832 177.6880 638 F 4.8127 7.4655 117.1419 57.0442 40.2662 177.3246 639 N 4.3329 8.1024 120.2932 56.6660 38.8715 175.8744 640 S 4.4813 7.9840 111.5518 59.5633 64.0529 174.0704 641 Q 4.7185 8.0973 119.4903 52.9854 28.7160 174.1462 642 P 4.3954 0.0000 0.0000 65.0799 31.7210 178.0209 643 L 4.6839 7.7672 116.6135 54.3442 42.1540 177.1138 644 A 4.0934 8.2576 124.9622 54.4156 18.4207 179.4588 645 V 4.2291 7.1567 106.8644 59.2746 35.1690 175.5444 646 S 4.3041 8.5451 121.1350 61.6092 62.9448 174.8871 647 T 4.6671 7.3756 114.7377 61.6035 73.0930 172.7980 648 W 4.8270 8.9825 125.1085 55.3278 30.5354 175.0342 649 L 4.7807 9.0771 126.0320 53.0771 43.6843 176.9703 650 E 5.2088 8.6406 122.6902 54.8597 31.6477 175.1238 651 K 4.9020 8.2792 119.2309 53.7941 34.7053 175.2152 652 P 4.3614 0.0000 0.0000 62.5717 31.8854 176.2603 653 I 3.7568 8.1469 122.1255 61.5182 37.5536 176.7015 654 D 4.5857 8.5018 124.9551 52.6076 40.2132 175.8952 655 E 3.9254 8.5829 126.2571 59.3693 29.6605 178.0531 656 N 4.3650 8.1100 115.5807 56.2682 38.7162 177.0567 657 L 3.9610 8.2447 121.8174 57.8044 42.1452 178.7584 658 L 3.8676 8.2469 120.6714 58.3066 42.1188 178.9980 659 I 3.8213 7.9002 119.7143 64.2860 37.0238 178.2569 660 L 4.0257 8.3218 121.3999 58.4304 41.9851 179.1304 661 S 4.1353 8.6112 115.4157 61.6282 62.7096 176.8418 662 L 3.8568 8.0110 121.6183 57.9280 41.2119 179.2489 663 H 4.4086 8.2851 116.1293 59.0267 28.7262 178.0759 664 R 3.9255 8.2642 119.6364 59.2618 29.7055 178.9863 665 A 3.9958 7.8890 119.2265 55.2266 18.4303 179.5244 666 I 3.8401 7.6863 117.2212 64.6828 37.3083 178.1314 667 D 4.5824 8.2385 118.9064 57.1200 40.6288 178.4828 668 N 4.4544 7.8685 114.1289 54.0411 38.9121 174.5323 *670 A 4.1146 8.0174 127.0833 51.9338 19.0591 177.3469 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 546 P 0.00 4.40 0.00 2.19 2.21 0.00 3.63 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 1.87 1.95 0.00 547 R 7.89 4.28 0.00 1.75 1.88 0.00 3.31 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 1.53 1.73 0.00 548 P 0.00 4.45 0.00 2.54 2.14 0.00 3.68 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 2.24 2.16 0.00 549 R 8.69 4.92 0.00 1.84 1.64 0.00 2.68 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 550 I 8.77 5.06 1.82 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.76 0.00 0.00 551 L 8.68 4.43 0.00 0.27 1.05 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 552 I 8.66 4.53 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.04 0.87 0.00 0.00 553 C 8.88 4.69 0.00 2.87 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 0.00 554 E 8.87 4.89 0.00 2.07 1.70 0.00 0.00 0.00 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 2.52 0.00 555 D 8.96 4.32 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 556 D 8.59 4.49 0.00 2.76 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 0.00 557 P 0.00 4.29 0.00 2.17 2.05 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 558 D 8.45 4.36 0.00 2.83 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 0.00 559 I 7.94 3.71 1.87 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 1.86 0.96 0.94 0.00 0.00 560 A 8.43 3.98 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 0.00 561 R 8.09 3.82 0.00 2.03 2.10 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 562 L 7.99 3.93 0.00 1.72 1.84 0.93 0.91 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 0.00 563 L 8.01 4.12 0.00 1.78 1.69 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 564 N 8.25 4.51 0.00 2.91 3.02 0.00 0.00 7.26 6.38 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 0.00 565 L 8.18 4.41 0.00 1.83 1.67 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *567 L 7.93 4.46 0.00 1.81 1.92 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 568 E 8.17 4.32 0.00 2.07 2.14 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 2.32 2.23 0.00 569 K 7.89 3.90 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 570 G 8.00 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 0.00 571 G 8.68 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 0.00 572 F 8.52 5.18 0.00 3.04 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 0.00 573 D 8.62 5.14 0.00 2.61 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 0.00 574 S 8.23 5.12 0.00 3.93 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 0.00 575 D 8.56 5.09 0.00 2.70 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 *577 V 8.25 3.90 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 0.69 0.00 0.00 0.88 0.00 0.00 578 H 9.16 4.90 0.00 3.13 3.27 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.45 4.63 0.00 4.41 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 0.00 580 A 8.55 3.94 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 0.00 581 A 7.75 3.92 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 0.00 582 Q 7.89 3.92 0.00 2.23 2.13 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 2.37 2.38 0.00 583 A 8.03 3.85 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 0.00 584 L 7.77 3.84 0.00 1.77 1.76 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 585 E 8.10 4.06 0.00 2.07 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 0.00 2.31 2.32 0.00 586 Q 8.65 4.09 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 587 V 8.41 3.76 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 0.84 0.00 0.00 0.92 0.00 0.00 588 A 7.37 4.52 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 0.00 589 R 8.27 4.06 0.00 2.04 2.12 0.00 3.33 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 590 R 7.38 4.48 0.00 1.72 1.77 0.00 3.05 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 0.00 591 P 0.00 4.34 0.00 1.94 1.97 0.00 3.44 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 592 Y 8.27 4.73 0.00 2.92 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 0.00 593 A 9.11 4.28 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 0.00 594 A 7.66 4.91 1.07 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 0.00 0.00 0.00 0.00 0.00 *596 T 8.30 4.41 4.14 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 1.08 0.00 0.00 597 V 8.33 4.71 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 0.89 0.00 0.00 0.81 0.00 0.00 598 D 8.48 5.18 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 L 8.58 4.08 0.00 1.73 1.77 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 600 N 7.97 4.86 0.00 2.73 2.89 0.00 0.00 7.27 7.08 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 0.00 601 L 7.49 4.64 0.00 1.78 1.58 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 602 P 0.00 4.36 0.00 2.18 2.00 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 603 D 8.24 4.70 0.00 2.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.27 3.93 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 605 D 8.63 4.68 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.64 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 0.00 0.00 0.00 607 V 8.06 3.91 2.27 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 0.88 0.00 0.00 1.08 0.00 0.00 608 S 8.20 4.14 0.00 3.95 4.07 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 0.00 0.00 0.00 609 L 7.70 3.95 0.00 1.77 1.84 0.89 1.02 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 0.00 610 I 7.69 3.71 2.15 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.59 0.00 0.00 611 R 8.43 4.09 0.00 2.10 2.06 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 612 A 8.02 4.00 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 0.00 613 L 7.69 3.97 0.00 1.75 1.71 0.89 1.00 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 0.00 614 R 7.80 4.15 0.00 1.86 2.01 0.00 3.30 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 615 R 7.69 4.20 0.00 1.99 2.00 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 616 D 7.76 4.46 0.00 2.71 2.56 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 0.00 617 S 8.65 4.30 0.00 4.02 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 0.00 618 R 8.73 4.07 0.00 1.94 2.04 0.00 3.11 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 619 T 7.85 4.61 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 1.29 0.00 0.00 620 R 8.13 3.99 0.00 1.98 1.94 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 621 D 7.80 4.76 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 622 L 7.48 3.86 0.00 1.56 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 623 A 8.58 4.04 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 0.00 624 I 8.06 4.57 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.64 0.00 0.00 625 V 8.10 4.41 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 0.85 0.00 0.00 0.78 0.00 0.00 626 V 7.95 4.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.27 0.00 0.00 627 V 8.49 4.87 2.04 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 0.88 0.00 0.00 0.87 0.00 0.00 628 S 9.07 4.61 0.00 4.00 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 0.00 629 A 8.95 4.00 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 0.00 630 N 8.08 5.17 0.00 2.86 2.83 0.00 0.00 7.51 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 0.00 631 A 8.14 4.31 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 632 R 8.46 3.76 0.00 1.82 1.95 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 633 E 8.23 4.02 0.00 2.05 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 0.00 2.39 2.42 0.00 634 G 7.80 3.69 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 0.00 0.00 0.00 635 E 7.26 2.54 0.00 1.16 1.59 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 1.77 1.47 0.00 636 L 7.31 3.96 0.00 1.63 1.76 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 637 E 7.53 3.89 0.00 1.87 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 2.15 1.92 0.00 638 F 7.47 4.81 0.00 3.20 3.15 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 0.00 639 N 8.10 4.33 0.00 2.86 2.83 0.00 0.00 7.06 6.95 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 0.00 640 S 7.98 4.48 0.00 3.91 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 0.00 641 Q 8.10 4.72 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 642 P 0.00 4.40 0.00 2.22 2.26 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 643 L 7.77 4.68 0.00 1.63 1.68 0.96 0.80 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 0.00 644 A 8.26 4.09 1.04 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 0.00 0.00 0.00 645 V 7.16 4.23 1.50 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 -0.03 0.00 0.00 -0.51 0.00 0.00 646 S 8.55 4.30 0.00 3.70 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 0.00 647 T 7.38 4.67 4.16 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 1.23 0.00 0.00 648 W 8.98 4.83 0.00 3.13 3.19 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 0.00 649 L 9.08 4.78 0.00 1.62 1.57 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 650 E 8.64 5.21 0.00 1.88 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 2.16 0.00 651 K 8.28 4.90 0.00 1.62 1.70 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.41 7.81 652 P 0.00 4.36 0.00 2.18 2.06 0.00 3.78 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 2.00 2.00 0.00 653 I 8.15 3.76 1.88 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 1.30 0.54 0.91 0.00 0.00 654 D 8.50 4.59 0.00 2.72 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 0.00 655 E 8.58 3.93 0.00 2.08 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 0.00 2.41 2.45 0.00 656 N 8.11 4.36 0.00 2.79 2.87 0.00 0.00 6.68 6.74 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 0.00 657 L 8.24 3.96 0.00 1.98 1.82 0.94 0.62 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 0.00 658 L 8.25 3.87 0.00 1.76 1.84 0.84 1.14 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 0.00 659 I 7.90 3.82 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.89 1.11 0.00 0.00 660 L 8.32 4.03 0.00 1.88 1.89 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 661 S 8.61 4.14 0.00 3.98 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 0.00 662 L 8.01 3.86 0.00 1.60 1.12 0.44 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 663 H 8.29 4.41 0.00 3.48 3.40 0.00 5.64 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 0.00 664 R 8.26 3.93 0.00 1.87 1.99 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 665 A 7.89 4.00 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 0.00 666 I 7.69 3.84 2.13 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 1.50 0.68 0.98 0.00 0.00 667 D 8.24 4.58 0.00 2.66 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 0.00 668 N 7.87 4.45 0.00 2.75 3.03 0.00 0.00 7.17 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 *670 A 8.02 4.11 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.