NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 520 Q 4.3877 8.3449 119.1349 54.0326 30.1977 174.5791 521 P 4.3529 0.0000 0.0000 61.2676 32.0559 175.9769 522 L 4.2555 8.2173 123.5008 56.5501 42.7642 178.7860 523 S 4.4010 7.9135 112.7216 60.5030 62.8947 175.3244 524 G 3.5722 7.2142 108.0603 46.4862 0.0000 173.6522 525 Y 3.8368 7.4282 119.3907 56.3583 38.1974 174.9501 526 P 4.0318 0.0000 0.0000 64.9224 31.5418 177.4648 527 W 4.2535 6.5776 114.0260 56.0453 28.7827 174.9504 528 F 5.2386 7.4024 122.8093 57.7770 39.5850 174.8451 529 H 4.5666 8.6571 124.9590 54.6586 29.9189 175.6038 530 G 3.4392 5.4311 108.5794 46.9082 0.0000 174.9234 531 M 4.5254 8.2952 115.2608 54.2253 30.8556 175.9286 532 L 4.3698 7.2710 120.1167 53.6762 43.9260 177.0716 533 S 4.4245 8.3368 120.1077 58.0683 65.0518 175.1488 534 R 3.8087 8.5559 123.6901 59.6969 29.7742 178.4144 535 L 3.9199 7.8506 119.2243 58.3835 42.1616 178.9792 536 K 4.1313 8.0295 117.9270 59.3797 31.9818 179.2358 537 A 3.9578 8.4019 121.2684 55.0154 18.4093 179.5984 538 A 3.9481 8.2209 119.3208 55.3685 18.3946 179.8423 539 Q 3.9608 8.1478 116.5562 59.0824 28.5691 179.0614 540 L 3.9845 7.7772 118.7147 57.9727 41.8480 179.6538 541 V 3.8952 7.4713 108.9739 62.9072 31.8835 177.7069 542 L 4.4384 7.8380 120.8182 55.5224 41.6846 177.1136 543 E 4.0627 7.2981 115.0884 57.6572 29.7586 182.0397 544 G 4.1930 8.8746 111.2174 44.0873 0.0000 174.7720 545 G 4.0493 8.4778 108.9857 46.2500 0.0000 175.4981 546 T 4.1577 8.4176 110.4130 63.2262 69.0229 176.3777 547 G 3.7833 7.6687 110.9622 47.5640 0.0000 174.5992 548 S 4.6499 8.0298 116.0858 58.3291 62.9957 173.1688 549 H 4.1687 7.5177 119.9420 58.1899 29.7496 175.5844 550 G 4.0212 9.0732 115.5577 43.9059 0.0000 173.1719 551 V 4.5654 8.1306 121.1386 63.0864 32.9979 174.8416 552 F 5.5883 8.6835 120.9048 56.4471 42.0281 172.3012 553 L 4.8552 8.8614 116.8986 55.2449 43.8948 173.7637 554 V 5.2050 8.8887 120.0861 61.2625 34.6696 174.5219 555 R 4.9564 8.9599 122.5009 54.4604 33.2876 174.0551 556 Q 4.7148 8.8688 119.8114 55.0023 29.8256 176.2163 557 S 4.2637 8.4496 118.0168 58.4662 62.9600 174.2208 558 E 4.3347 8.6748 125.4435 57.9625 29.7830 177.4544 559 T 4.5140 7.6243 105.0668 61.0794 70.9923 173.9289 560 R 4.3588 8.4955 122.7665 54.2621 30.6583 175.8905 561 R 3.9126 8.5074 124.0706 57.4795 30.7618 176.6199 562 G 3.9781 8.9793 111.3991 45.8383 0.0000 172.3418 563 E 5.3654 7.8183 118.9467 54.6859 33.3443 174.6782 564 C 5.4427 9.1905 119.0112 58.1295 33.4015 172.9106 565 V 4.8349 9.1684 118.9777 61.2508 34.9000 174.1432 566 L 5.0287 9.4622 130.4677 54.1704 43.2590 174.8140 567 T 5.1024 8.7116 124.6103 62.3161 70.2914 174.3473 568 F 5.4833 8.5032 120.1505 55.4619 42.4677 172.6216 569 N 5.0717 9.4839 119.3780 52.6569 40.4318 173.3947 570 F 4.9811 9.8903 132.5919 56.8975 41.5707 176.0150 571 Q 2.9427 9.6771 128.0464 55.9406 24.8468 171.7683 572 G 4.0656 8.6828 106.8594 45.4685 0.0000 172.9459 573 K 4.5735 8.4010 119.1342 54.0625 35.2763 175.0625 574 A 4.6374 8.4831 124.7474 51.7120 19.2001 176.8795 575 K 4.3969 8.5009 121.5589 54.6099 36.3670 175.1709 576 H 5.1869 8.3471 118.0967 54.1683 32.1976 172.4637 577 L 4.7597 9.0567 126.5032 53.0533 44.1365 175.8469 578 R 4.6300 8.7467 125.5989 56.2768 31.1419 175.9408 579 L 4.8602 9.2172 122.6021 52.9355 45.6782 175.2693 580 S 5.1356 9.2389 118.5190 56.5372 64.6249 172.5062 581 L 5.5020 9.5323 127.6581 52.2032 44.1052 176.0602 582 N 4.8159 8.5386 119.4478 50.5946 39.6795 175.3547 583 A 4.0243 8.6568 120.7708 55.2828 18.2380 178.7676 584 A 4.1165 8.0602 116.8224 53.4102 19.1165 178.3222 585 G 4.0088 9.0530 104.8272 45.1713 0.0000 172.6093 586 Q 4.6134 8.9466 119.9821 54.7085 30.2392 174.4789 587 C 4.7634 8.5246 124.3358 58.2083 33.3663 172.0712 588 R 5.0256 9.2599 127.1268 54.5350 32.8609 174.5680 589 V 4.4065 8.3571 125.4556 60.0626 32.9912 177.8450 590 Q 3.6488 8.8453 131.7362 57.8900 27.1097 176.2751 591 H 4.4627 9.3522 123.7066 58.2862 29.5035 175.8269 592 L 3.8667 7.2910 121.2193 54.4203 41.9956 175.4068 593 H 4.9926 8.0636 119.5164 53.8291 30.9536 173.3566 594 F 4.9473 9.0106 122.1897 55.6761 42.0550 176.1401 595 Q 4.2474 8.6993 120.8016 57.3838 29.3530 175.9979 596 S 5.0278 7.4323 112.6914 56.9729 66.1386 177.1811 597 I 3.3445 7.5467 122.3959 63.9112 37.4671 178.3003 598 F 3.9122 7.1656 118.3371 60.5500 38.8033 177.1536 599 D 4.2756 7.8399 117.8956 57.3619 40.6636 178.3015 600 M 2.0000 7.4923 118.6331 58.0642 31.8013 178.3931 601 L 3.6200 7.2467 117.6652 57.4179 41.9254 179.0968 602 E 4.0182 7.9583 118.7281 59.4819 29.3633 178.6833 603 H 3.9508 8.4904 118.7821 59.3283 29.9336 176.7748 604 F 5.6849 7.3544 118.0957 58.1393 38.3636 177.3511 605 R 4.0261 7.6443 119.8721 58.9974 30.0133 177.5257 606 V 4.0761 7.5152 115.7781 64.0633 32.5731 175.2195 607 H 4.4405 8.2185 116.9887 54.2329 29.0486 173.6476 608 P 4.7587 0.0000 0.0000 62.3738 31.7390 176.2222 609 I 3.2772 7.9143 122.5270 60.9069 37.5279 176.0706 610 P 4.6396 0.0000 0.0000 62.0635 29.4245 176.3652 611 L 4.0749 7.2932 119.8521 55.5978 42.5937 178.0051 612 E 4.0710 8.6346 120.9823 57.4789 29.8711 176.8315 613 S 4.3899 7.5914 113.3243 56.1294 63.7562 173.4460 *617 S 4.2757 8.2540 119.3302 58.1748 63.8664 173.0009 618 D 5.1629 8.4313 121.0630 53.3824 42.8364 176.3270 619 V 4.5711 8.2910 119.4374 60.3331 34.2162 174.7982 620 V 4.7411 8.3210 117.0977 58.9708 36.1172 174.7343 621 L 4.5626 8.6167 122.9941 54.6148 41.6923 176.7240 622 V 4.3655 8.8471 124.3297 64.2746 32.7235 175.9063 623 S 4.7835 8.0162 113.1138 57.0632 66.4226 172.1672 624 Y 4.3987 7.3294 118.6490 54.9444 40.4515 175.0695 625 V 4.0857 8.3790 121.8334 61.7357 32.0859 174.2219 626 P 4.8087 0.0000 0.0000 62.8439 32.2867 176.5591 627 S 4.2818 8.0790 115.4460 58.4988 62.9235 173.8125 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 520 Q 8.34 4.39 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 521 P 0.00 4.35 0.00 2.23 1.99 0.00 3.58 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 2.10 2.17 0.00 522 L 8.22 4.26 0.00 0.58 0.25 0.74 0.47 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 0.00 523 S 7.91 4.40 0.00 4.03 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 0.00 524 G 7.21 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 Y 7.43 3.84 0.00 1.80 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.03 0.00 1.89 2.22 0.00 3.40 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 527 W 6.58 4.25 0.00 3.54 2.80 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 0.00 528 F 7.40 5.24 0.00 2.32 2.92 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 0.00 529 H 8.66 4.57 0.00 3.05 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 G 5.43 3.44 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 0.00 0.00 0.00 0.00 531 M 8.30 4.53 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 532 L 7.27 4.37 0.00 1.84 1.49 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 533 S 8.34 4.42 0.00 4.07 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 0.00 534 R 8.56 3.81 0.00 1.82 1.93 0.00 3.06 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 535 L 7.85 3.92 0.00 1.78 1.64 0.92 0.56 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 0.00 536 K 8.03 4.13 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 537 A 8.40 3.96 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 A 8.22 3.95 1.41 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 0.00 0.00 539 Q 8.15 3.96 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 540 L 7.78 3.98 0.00 1.75 1.71 0.87 0.85 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 0.00 541 V 7.47 3.90 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 0.86 0.00 0.00 1.03 0.00 0.00 542 L 7.84 4.44 0.00 1.92 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 543 E 7.30 4.06 0.00 1.95 1.78 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 2.27 2.15 0.00 544 G 8.87 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 0.00 0.00 0.00 545 G 8.48 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.42 4.16 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 0.00 547 G 7.67 3.78 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 0.00 0.00 0.00 548 S 8.03 4.65 0.00 4.04 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 0.00 549 H 7.52 4.17 0.00 3.20 3.23 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 G 9.07 4.02 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 0.00 0.00 0.00 551 V 8.13 4.57 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 1.02 0.00 0.00 0.98 0.00 0.00 552 F 8.68 5.59 0.00 3.41 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 0.00 553 L 8.86 4.86 0.00 1.83 1.76 0.95 0.71 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 0.00 554 V 8.89 5.20 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 1.39 0.00 0.00 0.99 0.00 0.00 555 R 8.96 4.96 0.00 1.93 1.92 0.00 3.03 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 556 Q 8.87 4.71 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 557 S 8.45 4.26 0.00 3.90 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 0.00 558 E 8.67 4.33 0.00 2.00 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 2.30 2.29 0.00 559 T 7.62 4.51 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 1.21 0.00 0.00 560 R 8.50 4.36 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 561 R 8.51 3.91 0.00 1.76 1.84 0.00 3.40 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 562 G 8.98 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 563 E 7.82 5.37 0.00 2.03 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 2.36 2.27 0.00 564 C 9.19 5.44 0.00 2.87 2.97 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 0.00 565 V 9.17 4.83 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 1.06 0.00 0.00 0.97 0.00 0.00 566 L 9.46 5.03 0.00 1.79 1.78 0.89 -0.09 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 0.00 567 T 8.71 5.10 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 1.18 0.00 0.00 568 F 8.50 5.48 0.00 3.32 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 0.00 569 N 9.48 5.07 0.00 3.03 2.97 0.00 0.00 6.98 7.26 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 0.00 570 F 9.89 4.98 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.68 2.94 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 572 G 8.68 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 0.00 0.00 0.00 573 K 8.40 4.57 0.00 1.94 1.69 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 574 A 8.48 4.64 1.15 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 0.00 0.00 575 K 8.50 4.40 0.00 0.79 1.01 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.04 1.13 7.81 576 H 8.35 5.19 0.00 2.94 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 L 9.06 4.76 0.00 1.93 1.61 0.82 0.76 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 0.00 578 R 8.75 4.63 0.00 1.77 1.87 0.00 3.21 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 579 L 9.22 4.86 0.00 1.54 1.53 0.90 0.65 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 0.00 580 S 9.24 5.14 0.00 3.86 3.81 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 0.00 581 L 9.53 5.50 0.00 1.52 1.55 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 582 N 8.54 4.82 0.00 2.95 2.96 0.00 0.00 6.08 7.46 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 0.00 583 A 8.66 4.02 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 0.00 584 A 8.06 4.12 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 0.00 585 G 9.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.61 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.18 0.00 587 C 8.52 4.76 0.00 3.04 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 0.00 588 R 9.26 5.03 0.00 1.82 1.70 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 589 V 8.36 4.41 2.20 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 1.08 0.00 0.00 1.09 0.00 0.00 590 Q 8.85 3.65 0.00 2.29 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 591 H 9.35 4.46 0.00 3.26 3.39 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 L 7.29 3.87 0.00 1.61 1.02 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 593 H 8.06 4.99 0.00 2.91 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 F 9.01 4.95 0.00 3.12 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 0.00 595 Q 8.70 4.25 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 596 S 7.43 5.03 0.00 4.40 4.11 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 0.00 597 I 7.55 3.34 1.56 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 0.95 1.18 -0.14 0.00 0.00 598 F 7.17 3.91 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.28 0.00 2.84 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 0.00 600 M 7.49 2.00 0.00 1.63 1.26 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.75 0.00 601 L 7.25 3.62 0.00 1.43 1.30 -0.51 0.33 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 0.00 602 E 7.96 4.02 0.00 2.07 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 2.52 2.44 0.00 603 H 8.49 3.95 0.00 3.05 2.74 0.00 5.58 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 0.00 604 F 7.35 5.68 0.00 2.89 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 0.00 605 R 7.64 4.03 0.00 1.84 2.17 0.00 3.51 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 1.65 1.67 0.00 606 V 7.52 4.08 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 0.85 0.00 0.00 0.93 0.00 0.00 607 H 8.22 4.44 0.00 3.26 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 P 0.00 4.76 0.00 2.20 2.08 0.00 3.81 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 2.04 2.02 0.00 609 I 7.91 3.28 1.50 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.03 0.45 0.00 0.00 610 P 0.00 4.64 0.00 2.23 2.17 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 611 L 7.29 4.07 0.00 1.49 1.54 0.53 1.02 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 0.00 612 E 8.63 4.07 0.00 1.93 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 2.29 2.22 0.00 613 S 7.59 4.39 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.28 0.00 4.00 3.94 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 0.00 618 D 8.43 5.16 0.00 2.63 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 0.00 619 V 8.29 4.57 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 620 V 8.32 4.74 2.34 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 0.93 0.00 0.00 0.94 0.00 0.00 621 L 8.62 4.56 0.00 1.34 1.02 0.36 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 622 V 8.85 4.37 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 0.80 0.00 0.00 0.96 0.00 0.00 623 S 8.02 4.78 0.00 3.66 3.81 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 0.00 624 Y 7.33 4.40 0.00 2.60 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 V 8.38 4.09 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 0.83 0.00 0.00 0.95 0.00 0.00 626 P 0.00 4.81 0.00 2.20 2.21 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 627 S 8.08 4.28 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.