NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 R 4.1363 8.2544 120.8573 56.0003 32.0227 175.1125 545 Q 3.7050 7.9598 118.9356 55.3460 28.7805 173.2140 546 Q 4.6235 9.1369 126.6099 55.0039 30.5816 175.3161 547 F 4.8059 9.3282 123.7040 55.5606 40.9570 174.2140 548 P 4.3397 0.0000 0.0000 63.0172 31.9048 178.0792 549 V 3.4177 8.7672 117.2805 64.3078 31.7264 178.3160 550 E 3.9292 8.0470 116.3670 58.8776 29.2171 176.8887 551 H 4.9068 8.0936 116.5735 55.4034 30.3113 174.3094 552 V 4.4690 7.6039 119.2955 61.3348 33.7940 174.6550 553 Q 4.9225 8.4466 126.5202 54.4317 31.7589 174.5535 554 L 4.9732 8.7717 121.1135 53.1323 44.4878 175.7954 555 L 5.7221 8.0113 120.5106 51.7107 46.6619 175.4648 556 C 4.5950 8.7551 123.1692 59.2930 32.1279 174.0884 557 I 3.3154 8.1732 120.4893 64.6120 36.9384 175.9147 558 N 4.5247 8.5648 119.5959 54.9673 38.7848 175.2317 559 C 4.2413 8.1986 116.9162 59.6249 30.6657 175.1121 560 M 3.5216 8.0304 118.5452 56.0454 29.9870 176.9646 561 V 3.8668 7.2748 118.7122 61.6391 32.9032 175.8794 562 A 4.4801 8.6663 125.4612 52.5670 16.2594 177.0984 563 V 3.2954 8.5111 115.0179 64.0753 32.9756 175.9382 564 G 3.8705 7.2816 105.1207 45.7107 0.0000 171.3929 565 H 5.2019 8.2632 115.5622 53.4853 32.0580 175.5984 566 G 3.3613 9.2406 113.4226 48.1935 0.0000 175.7896 567 S 4.1685 7.8319 113.2285 60.4717 63.2480 174.4128 568 D 4.6547 7.9845 120.6940 54.2612 40.8555 175.5806 569 L 4.8651 7.3885 119.4840 54.0777 43.0239 176.4389 570 R 4.8347 8.4869 119.9133 54.5117 35.2575 174.1558 571 K 4.5121 8.7449 121.6606 55.4676 33.7478 176.0347 572 V 4.4178 8.8406 125.4730 61.3979 34.4922 175.0004 573 E 3.9275 9.6428 125.0087 57.6094 26.7447 173.9745 574 G 4.1737 7.9190 113.0213 46.1929 0.0000 173.8093 575 T 4.3904 7.5419 107.7789 60.7860 70.3179 173.5657 576 H 4.6230 8.2320 121.5310 55.2999 30.2570 173.9591 577 H 4.6171 8.5243 121.3774 54.3175 30.1005 174.2716 578 V 4.5700 8.0254 117.2415 59.3958 34.5935 174.8076 579 N 4.9596 8.3389 122.8182 52.7602 39.1318 175.0575 580 V 4.2233 8.5088 119.5121 61.2688 32.7531 175.8613 581 N 4.5854 8.8849 122.3797 52.5106 39.5955 173.8642 582 P 4.3989 0.0000 0.0000 65.8215 31.4912 178.0947 583 N 4.6252 8.4077 113.6612 54.9324 38.3893 176.8170 584 F 4.7173 8.4405 123.5541 61.1877 39.3721 176.9900 585 S 2.0000 8.1418 114.2952 60.7244 62.4868 176.0163 586 N 4.0060 7.4789 118.8994 55.4208 38.2445 174.9040 587 Y 4.5277 7.7141 114.1673 57.6610 39.3809 174.2631 588 Y 4.8155 7.3772 117.2969 55.2486 42.0072 174.1406 589 N 5.0638 9.1024 117.2961 51.4792 41.5830 173.9953 590 V 4.4042 8.5170 123.5233 61.6669 33.2365 174.9417 591 S 4.5839 8.9417 122.9436 56.3560 65.2273 174.2918 592 R 4.8086 8.7562 125.2452 56.4361 26.4835 175.2191 593 D 4.5774 8.1450 119.6137 55.0985 44.3728 175.4375 *601 F 4.9830 7.6107 115.2220 57.4945 39.2040 172.3461 602 K 4.5258 8.2161 119.3361 58.0103 34.7128 177.4376 603 D 4.7165 9.9663 119.1854 54.0411 41.3943 175.8124 604 W 5.0460 8.0411 118.2645 54.6576 33.1234 174.6470 605 K 4.9580 9.1552 118.9639 54.0810 35.4751 174.8478 606 P 5.0119 0.0000 0.0000 63.7996 31.8562 176.3448 607 G 4.0058 8.8193 110.2356 45.0641 0.0000 172.1250 608 G 3.9567 9.1281 108.3902 46.6839 0.0000 173.2264 609 V 4.2490 8.6586 124.7262 62.9381 32.9424 174.9323 610 I 4.8971 8.9047 129.1145 60.3632 39.4062 174.8047 611 S 4.3922 7.9031 118.4156 56.8507 66.7898 173.4998 612 C 3.9693 7.6149 117.3814 57.9413 30.3814 174.1891 613 R 4.3498 7.9954 116.4852 55.5750 29.6651 176.3454 614 N 4.6465 8.1736 117.3462 55.4373 40.0109 174.8284 615 C 4.4858 7.9910 109.6937 60.4723 31.2412 174.5237 616 G 4.4775 8.3654 106.3294 44.0534 0.0000 173.2517 617 E 3.9746 8.2429 121.0381 55.8487 30.2123 176.0587 618 V 4.3115 8.1772 124.8227 60.5379 32.5768 175.7766 619 W 4.9454 8.1356 124.8003 56.7715 30.7762 177.1057 620 G 4.3585 7.1735 108.0376 45.8939 0.0000 172.7400 621 L 5.0630 8.3149 125.7999 53.6929 46.1886 173.6261 622 Q 5.0060 8.7044 122.5534 55.0610 30.7393 174.4962 623 M 5.0382 8.7539 121.6175 53.6347 33.6416 174.9027 624 I 5.3919 9.2028 123.7581 59.6754 41.3796 173.9833 625 Y 4.6866 9.0012 127.0103 55.4380 41.2540 176.9485 626 K 3.4089 8.4793 128.9485 57.7892 31.3681 178.3026 627 S 4.3036 8.9079 123.8504 59.9254 62.7222 173.0848 628 V 4.3295 8.0336 121.1919 60.6023 32.2485 174.7126 629 K 5.1995 8.7059 124.0075 54.4528 34.6589 175.5838 630 L 4.8109 8.6718 123.7439 52.1573 45.8074 174.1224 631 P 4.8008 0.0000 0.0000 62.1906 32.1990 175.2167 632 V 4.2305 8.8024 126.8191 62.5306 32.7422 174.5772 633 L 5.1274 8.5570 127.9691 52.8549 44.0756 176.4699 634 K 4.4003 9.0672 123.6579 56.2665 32.8061 178.4709 635 V 2.2382 8.5452 125.1110 64.3854 31.1499 178.2063 636 R 3.9181 7.6270 118.4967 57.5088 29.7741 176.6942 637 S 4.5057 7.8245 111.1143 59.5400 63.8152 173.0932 638 M 4.7636 7.5556 121.5275 53.4766 33.4915 175.2524 639 L 4.3820 8.6874 126.4745 53.4757 43.6793 175.4155 640 L 4.3825 8.8063 128.5723 54.6897 42.9896 176.0788 641 E 4.7286 8.8406 127.0255 54.6775 30.1443 175.6788 642 T 4.6348 8.7278 117.1988 58.4166 70.3834 173.7695 643 P 4.2536 0.0000 0.0000 65.6367 31.5802 177.5563 644 Q 4.0844 8.2389 119.4066 57.8510 29.4301 176.5910 645 G 3.7724 6.8226 103.7668 45.2823 0.0000 170.5992 646 R 5.1480 7.9604 119.4913 55.2228 31.6314 176.0153 647 I 4.8752 9.1591 116.1664 59.5656 41.7830 173.4307 648 Q 4.9110 8.5659 118.9474 54.3612 31.6927 173.9984 649 A 4.6870 8.3096 121.8777 50.4005 22.0454 175.8551 650 K 4.3127 8.3036 118.4245 56.5154 33.9521 176.3190 651 K 4.5883 7.3464 116.7915 54.0256 36.2923 177.1311 652 W 4.1416 8.6579 122.1138 59.8604 29.0989 178.1416 653 S 4.4312 8.1035 110.2456 59.6565 62.7839 174.5639 654 R 4.5323 7.5558 119.2126 56.0395 30.4071 176.3409 655 V 3.8804 7.3882 112.6300 60.3675 32.3156 176.1301 656 P 4.7894 0.0000 0.0000 62.0232 30.7804 175.4409 657 F 4.9808 8.0075 112.3642 57.7489 40.8961 172.6016 658 S 4.5459 8.8728 115.6213 56.4099 63.4468 173.0401 659 V 4.1682 8.2037 128.1127 60.6214 31.8936 173.5163 660 P 4.6546 0.0000 0.0000 62.3571 33.2321 174.7807 661 D 4.8535 8.3887 119.3804 53.4910 41.6682 176.7710 662 F 4.2946 9.1968 125.6309 58.4520 40.4427 174.2488 663 D 4.4302 7.2682 123.4643 51.4707 43.8241 175.6050 664 F 3.7453 8.8034 128.9627 61.3645 39.5022 176.9312 665 L 4.1164 8.0027 118.2227 57.7657 41.4987 179.0455 666 Q 3.9211 9.3084 120.6144 59.4234 28.6131 177.7892 667 H 4.1307 8.1933 119.3893 59.2677 29.9170 177.1696 668 C 4.0652 7.8633 117.8962 62.6674 27.7253 175.4247 669 A 4.0019 8.2354 123.0961 55.5579 17.7246 179.5521 670 E 3.7824 8.0262 113.7314 58.6107 29.9861 177.8194 671 N 4.6846 7.4970 113.9274 53.6731 39.2321 176.1774 672 L 4.3693 7.6952 119.9561 55.4412 42.4476 176.6624 673 S 4.5198 6.8598 110.7522 56.5621 65.9156 173.8163 674 D 4.4931 8.4571 121.8675 53.5618 40.1547 176.2245 675 L 4.1895 8.2987 125.5210 54.9638 41.6784 177.3629 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 544 R 8.25 4.14 0.00 1.77 2.00 0.00 3.35 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 545 Q 7.96 3.70 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 1.60 2.14 0.00 546 Q 9.14 4.62 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 547 F 9.33 4.81 0.00 3.05 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 0.00 548 P 0.00 4.34 0.00 1.97 1.95 0.00 3.91 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 2.24 2.19 0.00 549 V 8.77 3.42 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 1.05 0.00 0.00 0.90 0.00 0.00 550 E 8.05 3.93 0.00 1.95 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 2.06 1.91 0.00 551 H 8.09 4.91 0.00 3.11 3.21 0.00 5.57 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 0.00 552 V 7.60 4.47 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 0.72 0.00 0.00 0.60 0.00 0.00 553 Q 8.45 4.92 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 554 L 8.77 4.97 0.00 1.49 1.34 0.84 0.62 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 0.00 555 L 8.01 5.72 0.00 1.54 1.48 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 556 C 8.76 4.59 0.00 3.57 3.05 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 0.00 557 I 8.17 3.32 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.97 0.00 0.00 558 N 8.56 4.52 0.00 2.82 2.78 0.00 0.00 6.93 7.66 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 0.00 559 C 8.20 4.24 0.00 3.16 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 0.00 560 M 8.03 3.52 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.90 0.00 561 V 7.27 3.87 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 0.89 0.00 0.00 1.09 0.00 0.00 562 A 8.67 4.48 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 563 V 8.51 3.30 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 1.05 0.00 0.00 0.68 0.00 0.00 564 G 7.28 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 H 8.26 5.20 0.00 3.24 3.02 0.00 5.63 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 0.00 566 G 9.24 3.36 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 0.00 567 S 7.83 4.17 0.00 3.93 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 0.00 568 D 7.98 4.65 0.00 2.73 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 0.00 569 L 7.39 4.87 0.00 1.69 1.44 1.10 0.45 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 0.00 570 R 8.49 4.83 0.00 1.69 1.91 0.00 3.47 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 571 K 8.74 4.51 0.00 1.72 1.62 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.12 7.81 572 V 8.84 4.42 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 0.45 0.00 0.00 0.20 0.00 0.00 573 E 9.64 3.93 0.00 2.17 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 2.35 2.41 0.00 574 G 7.92 4.17 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 0.00 0.00 0.00 575 T 7.54 4.39 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 0.00 576 H 8.23 4.62 0.00 3.21 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 H 8.52 4.62 0.00 1.50 2.00 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 V 8.03 4.57 1.80 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 0.31 0.00 0.00 0.59 0.00 0.00 579 N 8.34 4.96 0.00 2.22 2.39 0.00 0.00 7.12 7.83 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 0.00 580 V 8.51 4.22 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 0.74 0.00 0.00 0.96 0.00 0.00 581 N 8.88 4.59 0.00 2.95 2.87 0.00 0.00 7.18 7.29 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 0.00 582 P 0.00 4.40 0.00 2.26 2.14 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 583 N 8.41 4.63 0.00 2.93 3.01 0.00 0.00 6.70 7.80 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 0.00 584 F 8.44 4.72 0.00 3.36 3.45 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 0.00 0.00 0.00 0.00 585 S 8.14 2.00 0.00 3.75 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 0.00 586 N 7.48 4.01 0.00 2.79 2.64 0.00 0.00 6.92 7.86 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 0.00 587 Y 7.71 4.53 0.00 3.21 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 0.00 588 Y 7.38 4.82 0.00 2.62 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 0.00 589 N 9.10 5.06 0.00 2.55 2.70 0.00 0.00 6.99 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 0.00 590 V 8.52 4.40 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 0.82 0.00 0.00 1.12 0.00 0.00 591 S 8.94 4.58 0.00 3.86 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 0.00 592 R 8.76 4.81 0.00 1.73 1.96 0.00 3.16 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 593 D 8.14 4.58 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 4.98 0.00 3.22 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 0.00 602 K 8.22 4.53 0.00 1.90 1.93 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.46 7.81 603 D 9.97 4.72 0.00 2.84 2.46 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 0.00 604 W 8.04 5.05 0.00 2.69 2.94 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 0.00 605 K 9.16 4.96 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 606 P 0.00 5.01 0.00 2.01 2.09 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 607 G 8.82 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 0.00 608 G 9.13 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 609 V 8.66 4.25 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 0.98 0.00 0.00 0.94 0.00 0.00 610 I 8.90 4.90 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.28 0.60 0.00 0.00 611 S 7.90 4.39 0.00 3.64 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 0.00 612 C 7.61 3.97 0.00 3.00 3.21 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 0.00 613 R 8.00 4.35 0.00 1.99 1.98 0.00 2.99 0.00 0.00 2.87 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 614 N 8.17 4.65 0.00 2.73 2.94 0.00 0.00 6.95 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 0.00 615 C 7.99 4.49 0.00 3.11 3.04 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 0.00 616 G 8.37 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 3.97 0.00 2.14 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 2.56 2.56 0.00 618 V 8.18 4.31 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 0.84 0.00 0.00 0.97 0.00 0.00 619 W 8.14 4.95 0.00 3.53 3.23 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 0.00 620 G 7.17 4.36 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 0.00 621 L 8.31 5.06 0.00 1.78 1.60 1.02 1.44 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 0.00 622 Q 8.70 5.01 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 623 M 8.75 5.04 0.00 0.65 1.26 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 624 I 9.20 5.39 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 1.04 0.00 0.00 625 Y 9.00 4.69 0.00 1.44 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 0.00 0.00 0.00 626 K 8.48 3.41 0.00 1.44 0.74 0.00 1.21 0.00 0.00 1.33 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.76 0.21 7.81 627 S 8.91 4.30 0.00 3.81 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 0.00 628 V 8.03 4.33 2.21 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 1.08 0.00 0.00 1.28 0.00 0.00 629 K 8.71 5.20 0.00 1.73 1.83 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.52 7.81 630 L 8.67 4.81 0.00 1.11 1.16 -0.41 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 631 P 0.00 4.80 0.00 2.40 2.10 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 632 V 8.80 4.23 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 1.07 0.00 0.00 0.71 0.00 0.00 633 L 8.56 5.13 0.00 1.79 1.86 0.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 634 K 9.07 4.40 0.00 1.93 1.79 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.64 7.81 635 V 8.55 2.24 0.67 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 0.40 0.00 0.00 -0.08 0.00 0.00 636 R 7.63 3.92 0.00 1.70 1.95 0.00 3.19 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 637 S 7.82 4.51 0.00 4.31 4.21 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 0.00 638 M 7.56 4.76 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 639 L 8.69 4.38 0.00 1.72 1.62 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 640 L 8.81 4.38 0.00 1.80 1.63 1.03 1.09 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 0.00 641 E 8.84 4.73 0.00 1.99 1.75 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 2.13 2.17 0.00 642 T 8.73 4.63 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 0.97 0.00 0.00 643 P 0.00 4.25 0.00 2.19 2.12 0.00 2.84 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 644 Q 8.24 4.08 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 645 G 6.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 R 7.96 5.15 0.00 1.68 1.83 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 647 I 9.16 4.88 1.87 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 1.28 1.06 0.93 0.00 0.00 648 Q 8.57 4.91 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 649 A 8.31 4.69 1.09 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 0.00 0.00 650 K 8.30 4.31 0.00 1.62 1.75 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.43 7.81 651 K 7.35 4.59 0.00 1.74 1.59 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 652 W 8.66 4.14 0.00 3.24 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 S 8.10 4.43 0.00 3.98 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 0.00 654 R 7.56 4.53 0.00 1.90 1.91 0.00 3.13 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 655 V 7.39 3.88 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 0.75 0.00 0.00 0.37 0.00 0.00 656 P 0.00 4.79 0.00 2.87 2.53 0.00 3.86 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 2.49 2.17 0.00 657 F 8.01 4.98 0.00 3.14 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 0.00 658 S 8.87 4.55 0.00 3.88 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 0.00 659 V 8.20 4.17 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 0.83 0.00 0.00 0.96 0.00 0.00 660 P 0.00 4.65 0.00 2.22 2.19 0.00 3.64 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 661 D 8.39 4.85 0.00 2.58 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 0.00 662 F 9.20 4.29 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 D 7.27 4.43 0.00 2.51 2.24 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 0.00 664 F 8.80 3.75 0.00 3.21 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 0.00 665 L 8.00 4.12 0.00 1.81 1.72 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 666 Q 9.31 3.92 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 667 H 8.19 4.13 0.00 3.07 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 C 7.86 4.07 0.00 3.22 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 0.00 669 A 8.24 4.00 1.35 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 0.00 0.00 0.00 670 E 8.03 3.78 0.00 2.14 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 2.56 2.32 0.00 671 N 7.50 4.68 0.00 2.76 2.85 0.00 0.00 6.98 7.73 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 0.00 672 L 7.70 4.37 0.00 1.64 1.72 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 673 S 6.86 4.52 0.00 3.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 D 8.46 4.49 0.00 2.66 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 0.00 0.00 0.00 0.00 675 L 8.30 4.19 0.00 1.67 1.56 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.