NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 P 4.3358 0.0000 0.0000 61.9377 33.4327 175.7918 547 R 4.1831 7.6516 115.6313 55.0879 32.0030 173.0999 548 P 4.3537 0.0000 0.0000 63.6245 33.0844 173.7254 549 R 4.9612 8.7645 124.6105 54.9761 32.3444 174.6124 550 I 4.9598 8.7991 126.2613 59.4568 40.4397 174.2171 551 L 4.2118 8.3053 128.6697 53.6260 42.8357 175.7671 552 I 4.3366 8.5003 128.6914 59.5316 38.2407 175.3594 553 C 4.6900 8.6982 129.5656 57.7065 32.7801 171.9452 554 E 4.8337 8.6563 126.9551 54.7314 32.6261 175.5364 555 D 4.1804 8.7651 126.3281 57.3165 41.7060 176.6871 556 D 4.4653 8.8125 120.8163 53.3495 41.8447 174.5949 557 P 4.2878 0.0000 0.0000 65.9151 31.4263 178.1515 558 D 4.3652 8.5175 117.6341 57.6988 40.6998 179.1099 559 I 3.8291 7.9103 119.3649 63.8312 37.1353 178.1749 560 A 3.9385 8.3699 122.2639 55.3389 18.3384 179.7507 561 R 3.8369 8.2390 117.3076 59.1513 29.8418 178.4812 562 L 3.9294 7.6510 119.5994 58.1741 42.2443 178.4843 563 L 4.0993 7.8964 117.7272 57.8561 41.8600 178.6262 564 N 4.4822 8.3105 116.9029 56.6208 39.0193 176.5395 565 L 4.0988 7.9100 119.6089 55.2000 42.4204 179.2048 *567 L 4.3700 7.9021 120.1985 55.0019 43.8796 178.8223 568 E 4.2761 8.1207 118.5211 58.6112 29.6583 178.9811 569 K 3.8826 7.9173 116.4440 59.5659 32.1066 178.3972 570 G 3.7250 7.9534 104.5607 46.3476 0.0000 174.1125 571 G 3.7511 8.4761 108.6001 45.0264 0.0000 173.0998 572 F 4.9616 8.4109 118.5883 55.7444 41.5746 175.1917 573 D 5.0255 8.5089 122.3884 53.8981 42.9416 175.3797 574 S 5.0565 8.0624 112.4564 58.3714 65.4393 174.6786 575 D 5.0887 8.3275 121.0797 53.4300 44.7877 175.3691 *577 V 3.9937 8.2617 112.7932 62.3006 33.5761 175.7477 578 H 5.0837 8.6314 118.2874 53.7765 29.8549 174.3468 579 S 4.6049 7.6558 111.9849 56.1337 66.3494 174.8574 580 A 3.9337 8.8880 125.0491 55.3635 18.2184 179.9712 581 A 3.9084 8.6649 119.5780 55.4895 18.4191 179.6216 582 Q 3.9151 8.2781 117.8443 59.1148 28.9923 178.5178 583 A 3.8726 8.1424 121.8180 55.2352 18.2956 179.4246 584 L 3.9369 7.8902 116.3866 58.0488 42.0765 179.2903 585 E 4.0890 8.3106 119.0626 59.3256 29.6826 178.6277 586 Q 4.1362 8.4321 120.1196 58.9067 28.8785 178.3386 587 V 3.9099 8.2073 119.7940 63.9828 31.4409 176.6369 588 A 4.5406 7.3047 119.5484 52.1377 18.9594 177.8103 589 R 4.2933 7.9441 117.4977 58.4627 30.7677 176.8413 590 R 4.5343 7.3619 111.0777 53.8276 31.9533 172.5919 591 P 4.3352 0.0000 0.0000 62.9284 31.8950 175.4122 592 Y 4.8285 8.2156 118.3036 56.2124 41.2473 175.5452 593 A 4.2590 8.9977 126.1465 53.9935 19.7723 177.5066 594 A 5.0192 7.6416 115.9692 52.6629 24.7441 174.8498 *596 T 4.3721 8.0896 103.2823 62.0320 70.9072 173.5512 597 V 4.6858 8.4255 123.8955 61.1475 34.6900 173.5823 598 D 5.2078 8.4790 127.9602 52.8748 41.6882 176.4003 599 L 4.2004 8.6260 125.3132 56.7575 42.8325 177.6360 600 N 4.8697 7.8664 117.1205 52.3748 37.8048 175.0970 601 L 4.3023 7.4004 118.0023 53.7122 43.1578 176.4075 602 P 4.4007 0.0000 0.0000 65.8435 31.6313 177.4922 603 D 4.5465 8.1491 117.0912 54.8039 40.0987 176.3535 604 Q 4.6653 7.5489 116.3968 52.8742 32.6460 174.6473 605 D 4.4915 8.5271 120.1768 53.9481 42.1855 177.5360 606 G 3.8036 9.3192 113.0765 47.9394 0.0000 176.2516 607 V 3.9513 8.6236 120.8239 66.3222 31.5975 178.3877 608 S 4.2096 8.0542 114.7984 61.2172 62.6090 176.4167 609 L 3.9725 7.9165 122.7419 58.1669 41.9632 178.8917 610 I 3.6986 7.8823 119.6688 64.5639 36.8676 178.5973 611 R 4.0851 8.0109 117.2684 59.3219 30.2836 178.6431 612 A 4.1647 8.2018 120.4900 55.2511 18.0957 179.7404 613 L 4.0186 8.0971 117.4372 57.6967 41.4670 179.3441 614 R 3.9929 7.8557 116.0789 57.7173 30.3056 178.1425 615 R 4.3558 7.6309 116.6791 56.1818 30.5860 175.5742 616 D 4.7291 7.2414 119.5772 52.2671 41.6685 177.0009 617 S 4.1505 8.8067 122.2239 61.3774 62.9659 176.0284 618 R 4.1008 8.5242 120.0058 58.3356 29.9603 177.2008 619 T 4.6099 8.0782 105.7974 60.9051 69.5073 175.6453 620 R 4.0881 8.0609 118.5871 58.4090 29.7840 176.7014 621 D 4.7026 7.7862 116.4512 53.7214 41.8476 176.0401 622 L 3.9497 7.3584 122.7183 54.4367 42.6852 176.5002 623 A 4.0454 8.5875 129.2186 52.5188 19.1781 175.7292 624 I 4.7064 8.0265 121.8740 59.3012 41.1797 174.3572 625 V 4.4420 8.0872 126.2566 60.9208 34.0892 174.1571 626 V 4.1690 8.1483 128.6576 61.9409 32.6959 174.8026 627 V 4.6569 8.3197 127.4032 61.8043 33.7351 173.8301 628 S 4.6174 8.9747 121.0269 57.1270 66.4282 174.2265 629 A 4.3544 8.6956 125.1517 52.0654 19.5736 176.6504 630 N 4.6405 9.1606 113.3512 53.5122 36.5374 177.0435 631 A 4.2190 8.1189 121.9915 55.2709 18.4937 179.9399 632 R 3.6355 7.8767 116.8321 59.5571 30.3257 178.3502 633 E 3.9979 8.1839 118.0813 59.4007 29.5375 179.5171 634 G 3.6476 7.9254 105.2989 47.6052 0.0000 175.4039 635 E 2.0000 7.2513 121.6207 58.2345 28.9871 178.6346 636 L 3.8346 7.6724 120.2123 58.0869 41.8192 178.6339 637 E 4.0021 7.7817 117.0598 57.7901 29.6153 177.8312 638 F 4.8447 8.1637 118.9149 56.9720 40.3783 177.5006 639 N 4.3628 7.7533 118.4451 56.0629 38.5463 176.4546 640 S 4.7373 7.9986 111.2354 58.2168 63.9654 174.7247 641 Q 4.6826 8.1348 121.6036 53.7555 28.9991 173.5570 642 P 4.4087 0.0000 0.0000 65.1479 31.7312 177.8747 643 L 4.6227 7.7620 116.1717 54.3124 42.2343 176.9810 644 A 4.0435 8.0642 124.4770 54.2819 18.3988 179.0597 645 V 4.0921 7.0906 113.5171 60.8229 34.2037 175.3052 646 S 4.3105 8.4342 123.8430 61.6806 63.1712 174.9362 647 T 4.6649 7.3462 114.5826 61.7745 73.1096 172.9675 648 W 4.7782 8.9615 125.3083 55.2524 30.6906 175.0121 649 L 4.8327 9.2607 126.0797 53.0191 44.0343 176.8320 650 E 5.5081 8.6180 122.2386 54.8362 31.6683 175.1060 651 K 4.9102 8.2727 119.1449 53.7167 34.9602 175.1574 652 P 4.3060 0.0000 0.0000 62.6848 31.7488 176.2033 653 I 3.6672 8.1700 121.9916 61.4419 37.3947 176.2881 654 D 4.5532 8.5789 125.5863 53.0476 41.0877 175.7387 655 E 3.9209 8.6648 128.1981 59.3122 29.7134 177.9451 656 N 4.3092 8.1462 116.3357 56.7382 39.0979 176.5193 657 L 4.0191 8.6282 122.0279 57.6841 42.1031 178.7889 658 L 3.8842 8.0575 120.5789 58.1664 42.1119 178.9357 659 I 3.7489 7.6094 119.3877 64.2920 36.9873 178.0821 660 L 4.0357 8.0332 121.0762 58.4688 41.8525 179.2318 661 S 4.1140 8.3310 115.1572 61.5913 62.5097 176.7092 662 L 3.8646 7.6961 120.6786 58.0384 41.6610 179.0168 663 H 4.5454 8.2847 116.1925 58.9108 28.4350 178.0110 664 R 3.9936 8.1672 118.9589 59.2015 30.2529 177.6835 665 A 4.2653 8.0813 118.9736 52.7566 21.5469 174.3193 666 I 3.2900 8.5579 120.3949 63.1105 35.7234 174.9118 667 D 4.4841 8.0490 118.8172 55.3844 40.8714 176.4547 668 N 4.5251 8.0102 124.2156 53.6289 38.9125 174.2686 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 4.34 0.00 2.02 2.15 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 547 R 7.65 4.18 0.00 1.81 1.88 0.00 3.25 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 548 P 0.00 4.35 0.00 2.46 2.34 0.00 3.73 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 2.23 2.09 0.00 549 R 8.76 4.96 0.00 1.90 1.86 0.00 2.93 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 550 I 8.80 4.96 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.35 0.75 0.00 0.00 551 L 8.31 4.21 0.00 0.27 1.01 0.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 552 I 8.50 4.34 1.90 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 1.01 1.73 0.84 0.00 0.00 553 C 8.70 4.69 0.00 2.88 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 8.66 4.83 0.00 2.06 1.65 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 2.16 2.43 0.00 555 D 8.77 4.18 0.00 2.70 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 0.00 556 D 8.81 4.47 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 2.18 2.07 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 558 D 8.52 4.37 0.00 2.87 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 0.00 559 I 7.91 3.83 1.88 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 1.71 0.99 0.91 0.00 0.00 560 A 8.37 3.94 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 0.00 561 R 8.24 3.84 0.00 1.99 2.17 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 562 L 7.65 3.93 0.00 1.77 1.87 0.93 0.90 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 0.00 563 L 7.90 4.10 0.00 1.78 1.69 0.88 1.20 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 0.00 564 N 8.31 4.48 0.00 2.93 3.03 0.00 0.00 7.27 6.29 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 0.00 565 L 7.91 4.10 0.00 1.87 1.67 0.93 0.45 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 *567 L 7.90 4.37 0.00 1.79 1.88 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 568 E 8.12 4.28 0.00 2.15 2.15 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 2.33 2.28 0.00 569 K 7.92 3.88 0.00 1.85 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.56 7.81 570 G 7.95 3.73 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 0.00 0.00 0.00 571 G 8.48 3.75 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 0.00 0.00 0.00 572 F 8.41 4.96 0.00 3.10 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 0.00 573 D 8.51 5.03 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 5.06 0.00 3.92 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 0.00 575 D 8.33 5.09 0.00 2.69 2.60 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 *577 V 8.26 3.99 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 0.78 0.00 0.00 0.88 0.00 0.00 578 H 8.63 5.08 0.00 3.01 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.66 4.60 0.00 4.29 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 0.00 580 A 8.89 3.93 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 8.66 3.91 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 0.00 582 Q 8.28 3.92 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 583 A 8.14 3.87 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 0.00 584 L 7.89 3.94 0.00 1.77 1.76 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 585 E 8.31 4.09 0.00 2.05 2.16 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 2.32 2.32 0.00 586 Q 8.43 4.14 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 587 V 8.21 3.91 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 0.86 0.00 0.00 0.99 0.00 0.00 588 A 7.30 4.54 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 0.00 589 R 7.94 4.29 0.00 2.10 2.02 0.00 3.45 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 590 R 7.36 4.53 0.00 1.68 1.74 0.00 2.47 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.00 591 P 0.00 4.34 0.00 2.12 2.04 0.00 3.54 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 1.83 1.90 0.00 592 Y 8.22 4.83 0.00 2.94 2.93 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 0.00 593 A 9.00 4.26 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 0.00 594 A 7.64 5.02 1.08 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 0.00 0.00 *596 T 8.09 4.37 4.13 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 1.07 0.00 0.00 597 V 8.43 4.69 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 0.89 0.00 0.00 0.81 0.00 0.00 598 D 8.48 5.21 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.20 0.00 1.72 1.79 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 600 N 7.87 4.87 0.00 2.73 2.81 0.00 0.00 6.94 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 0.00 601 L 7.40 4.30 0.00 1.96 1.60 0.91 1.11 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 0.00 602 P 0.00 4.40 0.00 2.18 2.19 0.00 3.76 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 2.00 2.05 0.00 603 D 8.15 4.55 0.00 2.81 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 0.00 604 Q 7.55 4.67 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 605 D 8.53 4.49 0.00 2.69 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 9.32 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 0.00 607 V 8.62 3.95 2.22 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 0.89 0.00 0.00 1.11 0.00 0.00 608 S 8.05 4.21 0.00 4.10 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 0.00 609 L 7.92 3.97 0.00 1.76 1.88 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 610 I 7.88 3.70 2.27 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.71 0.00 0.00 611 R 8.01 4.09 0.00 1.87 2.06 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 612 A 8.20 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.02 0.00 1.89 1.71 0.90 0.79 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 0.00 614 R 7.86 3.99 0.00 1.99 2.01 0.00 3.42 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 615 R 7.63 4.36 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 616 D 7.24 4.73 0.00 2.73 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 0.00 617 S 8.81 4.15 0.00 4.02 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 0.00 618 R 8.52 4.10 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 619 T 8.08 4.61 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 0.00 620 R 8.06 4.09 0.00 1.99 2.31 0.00 3.01 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 1.76 1.65 0.00 621 D 7.79 4.70 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 0.00 622 L 7.36 3.95 0.00 1.55 1.74 0.99 0.99 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 0.00 623 A 8.59 4.05 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 0.00 624 I 8.03 4.71 1.63 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 1.08 0.73 0.63 0.00 0.00 625 V 8.09 4.44 1.91 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 0.93 0.00 0.00 0.78 0.00 0.00 626 V 8.15 4.17 1.44 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 1.00 0.00 0.00 0.26 0.00 0.00 627 V 8.32 4.66 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 0.87 0.00 0.00 0.87 0.00 0.00 628 S 8.97 4.62 0.00 3.94 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 8.70 4.35 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 0.00 630 N 9.16 4.64 0.00 2.95 2.95 0.00 0.00 7.50 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 0.00 631 A 8.12 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.64 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 633 E 8.18 4.00 0.00 2.22 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 2.38 2.41 0.00 634 G 7.93 3.65 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 0.00 0.00 0.00 635 E 7.25 2.00 0.00 1.16 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 1.83 1.47 0.00 636 L 7.67 3.83 0.00 1.84 1.65 0.89 0.80 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 0.00 637 E 7.78 4.00 0.00 2.13 1.64 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 2.40 2.43 0.00 638 F 8.16 4.84 0.00 3.30 3.32 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 0.00 639 N 7.75 4.36 0.00 2.70 2.89 0.00 0.00 6.73 7.23 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 0.00 640 S 8.00 4.74 0.00 3.85 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 0.00 641 Q 8.13 4.68 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 642 P 0.00 4.41 0.00 2.26 2.25 0.00 3.84 0.00 0.00 3.72 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 7.76 4.62 0.00 1.64 1.68 0.93 0.79 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 0.00 644 A 8.06 4.04 1.08 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 0.00 0.00 645 V 7.09 4.09 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 -0.21 0.00 0.00 0.07 0.00 0.00 646 S 8.43 4.31 0.00 3.76 3.82 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 0.00 647 T 7.35 4.66 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 1.22 0.00 0.00 648 W 8.96 4.78 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 9.26 4.83 0.00 1.64 1.55 0.90 0.75 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 0.00 650 E 8.62 5.51 0.00 1.88 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 2.33 2.22 0.00 651 K 8.27 4.91 0.00 1.61 1.69 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.41 7.81 652 P 0.00 4.31 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 8.17 3.67 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 1.30 0.54 0.91 0.00 0.00 654 D 8.58 4.55 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 8.66 3.92 0.00 2.08 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 2.40 2.40 0.00 656 N 8.15 4.31 0.00 2.81 2.95 0.00 0.00 6.81 6.66 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 0.00 657 L 8.63 4.02 0.00 1.89 1.88 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 658 L 8.06 3.88 0.00 1.79 1.81 0.84 0.90 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 0.00 659 I 7.61 3.75 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.72 1.08 0.00 0.00 660 L 8.03 4.04 0.00 1.91 1.86 0.96 0.80 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 0.00 661 S 8.33 4.11 0.00 3.98 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 0.00 662 L 7.70 3.86 0.00 1.53 1.20 0.39 0.61 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 0.00 663 H 8.28 4.55 0.00 3.46 3.39 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 8.17 3.99 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 665 A 8.08 4.27 1.22 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 0.00 0.00 666 I 8.56 3.29 2.02 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 1.61 0.46 0.98 0.00 0.00 667 D 8.05 4.48 0.00 2.99 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 0.00 668 N 8.01 4.53 0.00 2.87 2.65 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 * Residues marked with a * may have inaccurate shift predictions.