NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 583 F 4.9724 8.3249 115.9913 56.8990 39.5367 173.7614 584 R 4.7110 8.5180 117.6116 53.0673 34.5814 172.8903 585 T 4.9515 9.1960 112.8232 59.7515 72.4500 173.0891 586 F 4.2710 8.1850 119.8503 55.9943 40.5102 174.0560 587 P 4.1767 0.0000 0.0000 64.8566 31.2987 176.7418 588 G 3.7421 8.8110 110.8377 44.7703 0.0000 173.3785 589 I 3.3024 7.7492 118.5648 61.3620 34.9874 172.8603 590 P 4.3543 0.0000 0.0000 62.7355 32.3551 176.3783 591 K 4.4733 7.7795 118.2248 55.2613 35.1333 175.5343 592 W 4.4145 8.6004 120.6995 56.9201 29.6499 176.8432 593 R 4.1984 8.9001 122.2467 58.5233 29.9948 177.0408 594 K 4.4595 7.9839 115.5545 56.4263 34.2028 175.9895 595 T 4.2576 8.2490 108.0721 62.2775 71.0091 173.4408 596 H 5.0752 8.0583 122.1267 54.3943 31.1821 173.9299 597 L 4.7957 8.2935 126.0141 53.0237 45.0367 175.6478 598 T 5.2805 8.6815 111.9147 60.4638 71.6687 172.8934 599 Y 5.7982 8.4687 119.8462 54.7740 42.3473 173.9265 600 R 4.4405 8.2881 119.1788 55.0932 33.9437 173.6494 601 I 4.4207 8.1777 127.4314 60.3515 37.0188 175.7483 602 V 3.9275 8.8709 129.7054 65.3959 32.1218 175.2020 603 N 5.1236 7.6446 114.8942 51.9343 40.2005 172.4925 604 Y 4.6383 8.1644 114.2833 56.3349 41.6837 175.3997 605 T 4.1732 7.3375 116.8352 60.1001 68.1075 173.2377 606 P 4.3990 0.0000 0.0000 65.2335 31.6637 177.7351 607 D 4.5220 8.1501 118.1466 56.5743 40.8901 176.3401 608 L 4.8710 7.3217 116.0339 51.9259 46.1582 174.2492 609 P 4.4240 0.0000 0.0000 62.2945 32.2883 177.7334 610 K 3.8453 8.7869 121.2604 59.9585 31.8879 179.2361 611 D 4.4078 8.1081 118.3285 56.4712 39.1637 178.4102 612 A 4.0395 8.0125 121.9191 54.7110 18.3622 179.7975 613 V 3.5630 7.7278 116.3461 66.3569 31.7186 177.6212 614 D 4.5118 8.3590 118.6067 57.8013 40.6371 179.2886 615 S 4.2939 8.3076 115.1506 61.5094 62.8499 176.5744 616 A 4.0319 8.2007 123.5765 55.0831 18.1407 179.8996 617 V 3.3907 7.8727 116.6620 66.1296 31.6271 177.8832 618 E 3.8790 8.4108 118.6815 59.6565 29.4757 179.7420 619 K 4.0273 8.3918 118.2030 59.2891 31.3161 179.3127 620 A 4.1322 8.3472 121.2010 55.1645 18.2581 179.7201 621 L 3.9245 7.8914 117.5126 57.6914 41.6128 179.5558 622 K 3.9860 8.1191 119.6655 59.3389 31.8421 178.6066 623 V 3.5449 7.4559 117.3941 66.2386 31.5747 177.8076 624 W 4.5943 7.6337 118.4749 59.5473 28.7980 178.5346 625 E 4.2949 8.7472 118.8265 59.5775 28.7007 179.1878 626 E 4.1488 8.3828 117.5134 58.3334 29.4291 178.1878 627 V 4.4765 7.4214 110.2803 60.7662 32.4027 174.6810 628 T 5.0452 7.5004 109.0501 60.3761 71.5754 171.5811 629 P 4.6387 0.0000 0.0000 62.7055 31.4573 176.3914 630 L 4.4005 7.4998 119.5275 54.7369 42.1895 176.4755 631 T 4.8140 8.3538 112.2742 59.8628 72.6058 172.5996 632 F 5.4400 9.0211 120.0993 55.9562 42.6653 174.8522 633 S 4.8996 9.0229 117.1767 56.8216 67.0618 173.0119 634 R 3.8239 8.3862 122.8651 54.8668 31.0891 175.3002 635 L 4.7941 7.8555 124.7796 53.2847 44.3963 176.1438 636 Y 4.4702 8.7267 117.3450 57.8435 39.5694 175.1561 637 E 4.5775 7.8452 116.1715 55.8096 32.6484 175.8475 638 G 3.7966 8.4225 108.4447 44.8517 0.0000 171.8985 639 E 4.3507 8.5932 118.1559 54.8785 30.3190 175.9048 640 A 4.6304 8.1745 126.6124 50.4152 21.2263 176.2857 641 D 4.5106 8.5059 119.9397 57.4429 41.3812 177.8295 642 I 4.4939 7.9693 124.2567 60.0409 38.4501 174.1405 643 M 4.7770 8.9015 127.6025 54.3164 33.6140 175.4490 644 I 5.2141 8.6341 125.2111 59.5695 40.0087 175.0405 645 S 4.9288 8.8986 120.1994 57.1947 66.9575 172.6395 646 F 5.2779 9.5647 119.4663 56.2365 40.6907 175.2859 647 A 4.9067 9.3551 123.1514 50.8547 23.2316 175.0766 648 V 4.7373 8.1208 118.0681 61.3783 34.5922 175.9321 649 R 4.1746 9.1259 125.3914 56.3032 29.4165 177.8331 650 E 4.4356 8.9566 128.4924 57.3574 29.6580 175.5871 651 H 4.9166 8.5599 121.3974 55.4333 29.3587 173.9666 652 G 3.9619 9.2109 106.7529 45.9463 0.0000 172.8626 653 D 4.8787 7.1835 117.5627 51.3430 42.3860 175.1234 654 F 4.2337 8.3636 116.0986 59.5165 38.8694 175.2596 655 Y 4.6479 7.5051 117.3834 54.8050 38.7405 173.4734 656 P 4.5222 0.0000 0.0000 62.4772 32.4193 176.7617 657 F 4.8564 8.9206 119.8194 57.6832 39.6680 175.6135 658 D 4.9028 8.9888 119.3510 53.0721 39.4344 177.2335 659 G 4.2336 8.2710 108.1539 44.2488 0.0000 171.6137 660 P 4.2662 0.0000 0.0000 63.1592 31.7158 178.1119 661 G 3.8021 8.8545 111.7347 46.0073 0.0000 174.7090 662 N 3.9196 8.3931 118.5375 53.9451 37.8492 178.2299 663 V 3.7248 8.9916 126.8811 64.1775 31.8780 174.8935 664 L 4.4930 8.2396 125.5505 55.9178 43.8326 175.6853 665 A 4.6744 7.7283 117.5175 51.9444 21.9389 174.8735 666 H 5.0579 8.7996 113.3779 54.8779 32.2042 172.3904 667 A 4.9914 8.1225 119.7069 51.1499 22.7173 174.7847 668 Y 4.5317 8.6914 116.2354 55.6553 41.0600 176.0183 669 A 4.1470 7.8515 124.1171 51.0807 19.7380 175.0678 670 P 3.4050 0.0000 0.0000 62.1056 31.9642 176.7057 671 G 3.9221 6.4209 109.6588 42.9835 0.0000 170.4325 672 P 4.6155 0.0000 0.0000 62.8243 33.3127 179.0185 673 G 3.7938 8.2020 108.8739 46.4521 0.0000 176.5673 674 I 3.7537 8.1245 124.4219 62.6891 37.8398 175.5556 675 N 4.4385 7.3851 116.6652 54.3864 38.6982 175.8586 676 G 4.3680 8.5709 109.1197 46.1563 0.0000 173.9851 677 D 4.9060 7.8997 119.6056 54.2760 42.5485 175.2448 678 A 5.0701 8.9953 122.0210 50.5979 22.4018 174.7419 679 H 5.4924 9.3229 119.8388 53.9731 32.3848 172.9676 680 F 4.6392 8.9867 121.5297 55.1984 41.8533 174.2022 681 D 4.3196 8.4739 123.9141 54.0669 41.4093 176.2074 682 D 4.9785 9.7964 126.4823 55.8601 41.3338 176.8632 683 D 4.6878 8.7794 117.9240 55.7628 40.9440 175.7523 684 E 4.0490 7.7455 119.2701 54.7977 31.2804 175.6322 685 Q 4.4145 7.6359 122.0088 54.3652 29.9336 174.2176 686 W 4.9440 9.1261 128.2014 56.7035 29.8786 176.1424 687 T 4.8310 9.1983 114.3578 59.7456 71.7331 174.8410 688 K 4.2636 8.9025 122.6699 57.8993 33.2931 176.4678 689 D 5.0999 7.7997 119.4014 53.2578 39.0241 176.3421 690 T 4.5578 8.4321 111.4357 62.0648 69.1271 176.7374 691 T 4.1314 8.2762 120.2191 66.2514 69.4704 174.9138 692 G 3.8749 7.1910 111.1679 45.7325 0.0000 173.7075 693 T 4.2565 8.8046 122.8588 62.0324 70.1290 173.7043 694 N 4.9637 9.2897 126.7761 53.5622 39.6260 175.3587 695 L 4.1665 9.2500 129.1868 58.2595 42.2267 178.4149 696 F 4.1347 8.4184 120.0480 61.4797 39.3023 176.9094 697 L 3.2556 8.3978 118.3711 57.6365 41.3775 179.7830 698 V 3.7233 7.9561 117.8210 65.9241 31.4240 177.8764 699 A 4.2337 8.6676 120.7324 55.1763 18.2836 179.3510 700 A 3.9817 8.0907 119.6967 55.6342 18.0798 179.4021 701 H 4.2668 8.4145 116.6200 59.4519 29.8725 177.1367 702 E 4.0509 8.9954 121.3565 59.8578 29.3583 179.6636 703 I 3.9062 8.7946 120.3219 63.7344 36.9951 178.5385 704 G 3.1131 7.9408 106.5990 48.0533 0.0000 175.2508 705 H 5.2139 7.6027 119.9158 58.3711 28.6052 178.1712 706 S 4.8815 7.6603 116.2513 60.3461 62.7081 175.7251 707 L 4.9015 7.6102 119.7938 53.8430 41.0198 176.6263 708 G 4.1234 7.6588 107.1628 45.2356 0.0000 173.1946 709 L 4.8293 8.5142 121.5573 53.2276 43.2167 176.0900 710 F 4.8672 8.2812 127.0690 57.2079 41.8661 174.3604 711 H 4.5460 5.9536 114.5757 56.0499 29.0405 175.2579 712 S 4.8487 8.6649 116.9161 57.0604 64.4521 174.3863 713 A 4.5219 8.6074 124.8949 52.6469 19.6346 177.0820 714 N 4.4954 8.2024 116.5082 52.9199 39.2027 175.6540 715 T 2.5535 8.3829 116.6896 64.3527 68.5811 174.5066 716 E 4.2782 7.8977 118.1052 55.9183 29.9385 175.6825 717 A 4.5493 7.9987 124.0458 50.9254 19.7449 178.6302 718 L 4.0730 9.2016 124.9544 58.7546 42.3979 178.2493 719 M 4.3879 8.6544 115.6466 55.9440 32.2433 175.5529 720 Y 4.8037 8.4556 121.8278 56.4990 39.4151 174.7138 721 P 4.0358 0.0000 0.0000 62.7950 30.9752 175.7402 722 L 4.6116 7.4551 117.6534 53.5939 44.7944 176.0851 723 Y 4.4093 8.3908 123.8835 56.1709 37.7651 174.7405 724 H 4.0425 7.8047 126.1611 57.4294 29.0379 175.5997 *732 F 4.4431 7.9513 122.5451 58.3751 40.9014 174.3378 733 R 4.1403 6.9177 125.5844 54.2575 32.8862 174.3986 734 L 3.7907 7.8776 124.0831 54.8266 42.3686 177.9528 735 S 4.4048 8.4089 117.0789 57.7499 65.5392 175.1772 736 Q 3.9596 8.4846 122.8320 59.2390 28.7754 177.8090 737 D 4.4702 8.1173 118.6970 57.5880 41.2547 177.8935 738 D 4.5179 8.0728 118.8700 57.3766 40.7355 178.8282 739 I 3.7688 7.7782 120.2692 64.6110 37.1884 178.2184 740 N 4.3427 8.6772 117.7660 56.0797 37.9146 177.6465 741 G 2.3455 7.5242 106.9076 47.5220 0.0000 175.7083 742 I 3.6464 7.9878 122.0715 63.4751 37.9422 177.9301 743 Q 4.1877 8.4830 119.5571 58.4475 28.3248 178.4275 744 S 3.9795 7.8297 114.6293 60.6969 62.9459 176.0735 745 L 4.0207 6.9436 121.6513 56.5838 41.9438 177.5735 746 Y 4.7789 7.5800 112.1949 55.8673 39.6378 176.6699 747 G 3.9798 8.6387 110.3448 43.8863 0.0000 171.3234 748 P 4.9041 0.0000 0.0000 60.8419 32.5907 174.1962 749 P 4.5447 0.0000 0.0000 61.8240 31.6507 176.3270 750 P 4.3171 0.0000 0.0000 65.1279 31.4899 176.6907 751 D 4.7476 8.0383 116.8040 52.8042 39.6920 175.5426 752 S 4.7415 7.5777 114.5884 56.0111 64.4401 171.9920 753 P 4.6407 0.0000 0.0000 61.9768 32.5171 174.5444 754 E 4.6669 8.2960 119.5861 54.3353 31.6625 175.7962 755 T 4.1170 8.4223 114.1914 62.0219 69.0441 174.2885 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 583 F 8.32 4.97 0.00 3.07 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.71 0.00 2.00 1.87 0.00 3.33 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 585 T 9.20 4.95 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 1.34 0.00 0.00 586 F 8.19 4.27 0.00 3.15 2.87 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 0.00 587 P 0.00 4.18 0.00 2.01 2.00 0.00 3.76 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 588 G 8.81 3.74 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 0.00 0.00 0.00 589 I 7.75 3.30 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.89 0.00 0.00 590 P 0.00 4.35 0.00 1.94 1.91 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 591 K 7.78 4.47 0.00 1.71 1.61 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.41 7.81 592 W 8.60 4.41 0.00 3.42 3.20 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 0.00 593 R 8.90 4.20 0.00 1.85 2.06 0.00 3.29 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 594 K 7.98 4.46 0.00 1.90 1.84 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.48 7.81 595 T 8.25 4.26 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 1.23 0.00 0.00 596 H 8.06 5.08 0.00 3.07 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 L 8.29 4.80 0.00 1.22 1.14 0.41 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 598 T 8.68 5.28 4.15 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 1.15 0.00 0.00 599 Y 8.47 5.80 0.00 3.06 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 0.00 600 R 8.29 4.44 0.00 1.69 1.67 0.00 3.04 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 601 I 8.18 4.42 1.79 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 1.20 0.77 0.39 0.00 0.00 602 V 8.87 3.93 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 0.77 0.00 0.00 0.96 0.00 0.00 603 N 7.64 5.12 0.00 2.90 2.83 0.00 0.00 5.78 7.55 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 0.00 604 Y 8.16 4.64 0.00 2.92 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 0.00 605 T 7.34 4.17 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 0.69 0.00 0.00 606 P 0.00 4.40 0.00 2.07 2.09 0.00 3.75 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 2.03 2.10 0.00 607 D 8.15 4.52 0.00 2.72 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 0.00 608 L 7.32 4.87 0.00 1.58 1.53 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 609 P 0.00 4.42 0.00 2.17 1.95 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 610 K 8.79 3.85 0.00 1.56 1.38 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.70 1.20 7.81 611 D 8.11 4.41 0.00 2.88 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 0.00 612 A 8.01 4.04 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 0.00 0.00 613 V 7.73 3.56 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 1.13 0.00 0.00 1.01 0.00 0.00 614 D 8.36 4.51 0.00 3.03 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 0.00 615 S 8.31 4.29 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 617 V 7.87 3.39 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 0.71 0.00 0.00 0.79 0.00 0.00 618 E 8.41 3.88 0.00 2.20 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 2.44 2.60 0.00 619 K 8.39 4.03 0.00 1.86 1.64 0.00 1.72 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.39 7.81 620 A 8.35 4.13 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 0.00 621 L 7.89 3.92 0.00 1.59 1.14 -0.29 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 622 K 8.12 3.99 0.00 2.02 2.03 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 623 V 7.46 3.54 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 0.21 0.00 0.00 1.14 0.00 0.00 624 W 7.63 4.59 0.00 3.81 3.34 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 0.00 625 E 8.75 4.29 0.00 2.27 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 2.77 2.96 0.00 626 E 8.38 4.15 0.00 2.10 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 0.00 2.38 2.62 0.00 627 V 7.42 4.48 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 0.73 0.00 0.00 1.11 0.00 0.00 628 T 7.50 5.05 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 1.46 0.00 0.00 629 P 0.00 4.64 0.00 2.07 2.13 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 630 L 7.50 4.40 0.00 1.36 0.98 0.35 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 631 T 8.35 4.81 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 1.20 0.00 0.00 632 F 9.02 5.44 0.00 2.93 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 0.00 633 S 9.02 4.90 0.00 3.78 3.72 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 0.00 634 R 8.39 3.82 0.00 1.19 1.47 0.00 3.01 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 635 L 7.86 4.79 0.00 1.33 1.58 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 636 Y 8.73 4.47 0.00 2.95 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 0.00 637 E 7.85 4.58 0.00 2.05 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 2.23 2.33 0.00 638 G 8.42 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 0.00 639 E 8.59 4.35 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 640 A 8.17 4.63 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 0.00 641 D 8.51 4.51 0.00 2.37 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 0.00 0.00 0.00 642 I 7.97 4.49 1.92 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 1.51 0.64 0.94 0.00 0.00 643 M 8.90 4.78 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 644 I 8.63 5.21 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.72 0.00 0.00 645 S 8.90 4.93 0.00 3.89 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 0.00 646 F 9.56 5.28 0.00 3.02 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 0.00 647 A 9.36 4.91 1.23 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 0.00 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2.28 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 657 F 8.92 4.86 0.00 3.34 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 0.00 658 D 8.99 4.90 0.00 2.80 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 0.00 659 G 8.27 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 0.00 0.00 0.00 0.00 660 P 0.00 4.27 0.00 2.02 1.96 0.00 3.80 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 661 G 8.85 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 0.00 662 N 8.39 3.92 0.00 2.97 1.90 0.00 0.00 6.73 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 0.00 663 V 8.99 3.72 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 0.98 0.00 0.00 1.01 0.00 0.00 664 L 8.24 4.49 0.00 1.64 1.69 0.60 0.46 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 0.00 665 A 7.73 4.67 0.92 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 0.00 0.00 666 H 8.80 5.06 0.00 2.94 3.36 0.00 5.28 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 0.00 667 A 8.12 4.99 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 0.00 668 Y 8.69 4.53 0.00 3.00 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 0.00 669 A 7.85 4.15 -0.01 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 0.00 670 P 0.00 3.41 0.00 1.24 0.49 0.00 3.45 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 2.06 0.00 671 G 6.42 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 0.00 0.00 0.00 672 P 0.00 4.62 0.00 2.22 2.20 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 690 T 8.43 4.56 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 1.26 0.00 0.00 691 T 8.28 4.13 4.38 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 1.21 0.00 0.00 692 G 7.19 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 0.00 693 T 8.80 4.26 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 0.53 0.00 0.00 694 N 9.29 4.96 0.00 3.00 3.01 0.00 0.00 6.39 6.61 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 0.00 695 L 9.25 4.17 0.00 2.08 1.77 -0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 696 F 8.42 4.13 0.00 3.12 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 0.00 697 L 8.40 3.26 0.00 1.89 1.74 0.96 0.34 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 706 S 7.66 4.88 0.00 4.03 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 0.00 707 L 7.61 4.90 0.00 1.57 1.83 0.72 1.20 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 0.00 708 G 7.66 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 0.00 709 L 8.51 4.83 0.00 1.75 1.59 0.88 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 0.00 710 F 8.28 4.87 0.00 1.77 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 0.00 711 H 5.95 4.55 0.00 2.23 2.82 0.00 5.75 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 0.00 712 S 8.66 4.85 0.00 4.05 3.84 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 0.00 713 A 8.61 4.52 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 0.00 714 N 8.20 4.50 0.00 2.84 2.76 0.00 0.00 6.77 7.02 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 0.00 715 T 8.38 2.55 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 0.87 0.00 0.00 716 E 7.90 4.28 0.00 1.92 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 2.18 2.18 0.00 717 A 8.00 4.55 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 0.00 718 L 9.20 4.07 0.00 1.69 2.13 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 719 M 8.65 4.39 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.05 0.00 720 Y 8.46 4.80 0.00 3.22 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 0.00 721 P 0.00 4.04 0.00 1.81 1.49 0.00 2.33 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.46 0.00 722 L 7.46 4.61 0.00 1.85 1.58 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 723 Y 8.39 4.41 0.00 2.85 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 0.00 724 H 7.80 4.04 0.00 3.09 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *732 F 7.95 4.44 0.00 3.13 3.13 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 0.00 733 R 6.92 4.14 0.00 1.56 1.47 0.00 3.22 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 734 L 7.88 3.79 0.00 1.46 1.42 0.43 0.33 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 0.00 735 S 8.41 4.40 0.00 4.03 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 0.00 736 Q 8.48 3.96 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 737 D 8.12 4.47 0.00 2.92 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 0.00 738 D 8.07 4.52 0.00 2.94 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 0.00 739 I 7.78 3.77 2.01 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 1.52 0.83 0.97 0.00 0.00 740 N 8.68 4.34 0.00 2.70 2.88 0.00 0.00 6.98 7.61 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 0.00 741 G 7.52 2.35 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 0.00 742 I 7.99 3.65 2.12 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.51 1.31 0.00 0.00 743 Q 8.48 4.19 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 744 S 7.83 3.98 0.00 4.08 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 0.00 745 L 6.94 4.02 0.00 1.14 0.51 0.93 0.73 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 0.00 746 Y 7.58 4.78 0.00 2.99 2.96 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 0.00 747 G 8.64 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 0.00 748 P 0.00 4.90 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 749 P 0.00 4.54 0.00 2.22 2.04 0.00 3.63 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 2.20 2.27 0.00 750 P 0.00 4.32 0.00 2.19 2.20 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 751 D 8.04 4.75 0.00 2.79 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 0.00 752 S 7.58 4.74 0.00 3.78 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 0.00 753 P 0.00 4.64 0.00 2.22 2.04 0.00 3.78 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 1.97 1.95 0.00 754 E 8.30 4.67 0.00 1.91 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 2.20 2.33 0.00 755 T 8.42 4.12 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.