NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 D 4.5895 8.2114 119.5494 53.0693 42.7894 177.1109 432 G 3.7598 8.3360 105.1189 48.2980 0.0000 174.6819 433 R 4.2003 8.2880 123.6850 61.2736 29.7181 179.4788 434 L 4.5990 7.9203 122.1583 59.9572 40.8453 184.4067 435 R 4.5307 7.9727 120.8480 62.4573 29.4924 184.8378 436 V 4.1576 7.7979 120.4001 65.2678 32.3259 180.6948 437 L 4.4302 7.8042 120.4269 54.5235 41.7197 179.6211 438 K 4.3428 8.1628 122.6266 51.7130 33.9854 175.0548 439 P 2.9700 0.0000 0.0000 64.2350 30.8909 178.5001 440 E 4.0587 7.9242 116.7486 59.6794 29.3174 179.4401 *441 W 4.0714 7.7272 123.2384 60.3603 28.4715 181.6767 *442 F 5.0216 8.2732 118.6159 58.6631 39.3994 176.1722 443 R 4.8512 7.1534 116.2416 57.3671 28.9123 178.1477 444 G 3.9925 9.2985 112.2965 44.5642 0.0000 172.5158 445 R 4.7686 8.4497 118.9597 54.4889 33.6076 174.5957 446 D 5.3238 9.5776 120.7980 53.3176 42.4988 176.0974 447 V 4.8940 9.1859 123.6151 60.9146 34.6134 174.2693 448 L 4.2907 8.5196 129.5823 53.2372 44.2657 174.6548 449 D 4.9057 9.1511 128.0902 52.7166 41.7923 174.9098 450 L 3.9992 8.7184 127.2669 54.6244 42.2035 177.8290 451 G 3.9307 8.4126 112.3902 46.7876 0.0000 172.9508 452 C 4.3407 8.7530 113.5115 58.1155 31.9354 175.4347 453 N 3.8468 8.1940 119.5020 55.2909 38.0982 175.4088 454 V 3.6448 8.2751 108.3102 61.3287 31.8440 177.2284 455 G 4.2073 8.6572 111.4764 45.0220 0.0000 175.8562 *456 H 4.1250 8.4546 123.5180 60.4679 27.6680 182.3302 457 L 4.1529 7.8466 124.6439 59.4901 40.7299 180.7660 458 T 4.0852 8.0716 116.5657 66.7879 68.3158 176.4277 459 L 4.1849 8.6922 123.3831 58.3928 41.6009 180.3145 460 S 3.9163 8.1084 121.1088 63.8243 62.1186 179.2776 461 I 3.4458 7.7721 123.9693 64.6988 35.0604 179.8514 462 A 4.2232 7.6175 121.7998 55.6863 18.3599 178.6719 463 C 3.8534 8.1281 120.1331 62.1993 31.2891 176.3006 464 K 3.7867 8.1248 123.7797 56.8001 31.7546 180.0724 465 W 4.9395 8.4023 117.0627 55.3517 30.2535 175.5901 466 G 4.3437 7.7389 106.2784 46.1481 0.0000 171.4096 467 P 4.9973 0.0000 0.0000 62.3962 32.6939 177.3913 468 S 4.3412 8.3141 116.5134 61.5426 63.7490 173.5526 469 R 4.5808 7.5754 118.5284 55.0119 34.1817 173.3537 *471 V 4.1197 8.2891 118.7308 62.7115 33.0672 174.1504 472 G 4.3355 8.6511 115.9079 44.6505 0.0000 171.9391 473 L 5.4675 8.7977 128.2350 53.4863 45.0512 174.6052 474 D 4.9903 8.9729 126.1261 53.6917 44.5970 176.8380 475 I 4.3425 8.5626 120.7611 61.1549 36.1091 176.4458 476 D 4.8438 8.3650 119.2431 53.0830 42.2009 177.1270 477 S 4.2436 8.5967 123.0371 61.0874 63.2377 176.5928 478 R 3.8659 8.5933 122.7007 59.2365 29.8395 178.8451 479 L 3.9336 7.7921 118.2202 57.8020 41.6755 179.4039 480 I 3.5070 7.5036 119.4759 64.4838 37.0181 177.8009 481 H 4.0938 8.5126 121.5968 60.2125 29.7521 178.1446 482 S 4.1051 7.9876 119.8202 63.1206 61.7755 178.1137 483 A 4.1244 7.3710 124.0210 54.6234 18.0106 179.7007 484 R 4.0519 7.5532 115.7499 59.4074 30.5206 179.0468 485 Q 4.1428 7.9845 117.7510 58.2440 28.3764 176.8526 486 N 4.8445 7.5395 116.2404 52.9450 39.5886 174.4767 487 I 4.5202 7.1277 122.4762 59.9337 40.6230 176.0825 *539 V 3.9675 7.9176 117.3927 59.8506 32.7948 172.8042 540 P 4.6544 0.0000 0.0000 62.0950 31.8737 176.8920 541 L 4.0981 9.2608 122.5483 57.5475 41.9112 176.7816 542 D 4.3766 7.3115 114.9891 53.2422 41.8307 176.4364 543 G 3.5115 8.8490 106.9219 48.3523 0.0000 174.4435 544 A 4.0755 8.4453 121.8827 53.2121 18.6968 177.0446 545 D 4.7173 8.0448 116.3684 52.8459 40.4445 175.1729 546 T 4.6062 8.1439 115.6941 61.1966 69.1788 176.5436 547 S 4.6011 7.7903 115.4911 59.0800 64.0219 174.1014 548 V 4.4963 7.2514 120.8297 60.3528 34.2407 174.1610 549 F 4.9731 9.1565 127.3105 57.7820 39.5543 172.9451 550 P 3.2303 0.0000 0.0000 62.4779 31.3041 176.0267 551 N 4.4944 8.1272 116.0662 54.4687 38.8357 175.1899 552 N 4.9979 8.2127 115.1728 51.4339 37.9419 174.1510 553 V 4.7171 7.3408 117.5816 60.3885 34.2710 175.0552 554 V 4.5104 7.9231 114.9253 59.8581 36.5930 173.7531 555 F 5.4579 8.6873 119.6091 55.8721 42.2875 175.0132 556 V 4.5889 9.1683 121.7487 61.5130 35.1863 174.0822 557 T 5.0371 8.4614 123.4000 62.2861 69.7550 174.3958 558 G 4.0495 8.7358 112.8114 45.9731 0.0000 171.6055 559 N 5.0171 8.7465 120.5412 52.0695 39.0540 174.6027 560 Y 4.0731 8.7213 127.9574 59.5071 39.2905 175.5417 561 V 3.6004 7.6648 120.2733 61.8710 31.4854 175.4115 562 L 4.2809 7.8817 127.4511 53.9765 42.5495 177.0939 563 D 4.4892 8.5575 121.5515 56.6646 41.4526 177.4641 564 R 4.8246 7.5969 118.4687 54.1307 35.4011 176.5700 565 D 4.4539 8.5697 122.9282 58.5347 39.6586 179.6776 566 D 4.6165 7.9835 118.5525 56.1750 39.7331 178.4157 567 L 4.1270 7.9480 122.5393 58.4870 41.9124 179.9132 568 V 3.5711 7.5023 118.8787 66.2496 31.2735 179.2750 569 E 4.4049 7.8882 116.5417 57.3475 29.6701 177.5249 570 A 4.3345 7.9640 119.5116 52.9580 19.4240 177.1826 571 Q 4.1077 7.4208 119.6497 56.4285 29.4195 175.8489 572 T 4.7000 8.2796 116.1322 59.1410 71.5681 172.4076 573 P 4.7593 0.0000 0.0000 63.2565 31.5968 176.3229 574 E 4.6034 9.8106 119.3885 55.9927 33.4377 174.7033 575 Y 4.8157 7.9669 116.1621 56.3781 41.9911 175.6596 576 D 4.6914 9.2637 120.2745 55.3570 43.2471 176.9386 577 V 4.9502 7.7263 117.7060 61.1607 35.3641 173.8466 578 V 4.6376 8.6126 127.2546 61.0467 34.4384 173.9215 579 L 4.6695 9.0759 128.4366 53.8009 43.3378 175.3425 580 C 4.7735 9.1866 125.1462 56.9771 32.0289 170.3119 581 L 4.8042 8.1288 120.5217 52.6867 43.4231 176.2534 582 S 4.0136 8.9944 123.7682 60.7885 61.3358 174.4656 583 L 4.9363 7.9166 123.6617 57.4537 43.1189 179.6667 584 T 4.0642 8.0864 108.9492 65.0002 68.3097 176.1964 585 K 3.8696 8.0095 122.2708 59.1830 32.2147 178.9484 586 W 4.3069 7.8647 118.6213 59.6710 28.9768 178.5918 587 V 4.3773 8.0874 118.2059 66.1847 30.9563 177.5532 588 H 4.2343 8.6173 118.3867 59.4085 29.6082 177.3355 589 L 3.8824 8.2386 121.0771 57.8288 41.2733 179.0688 590 N 4.1160 7.7569 114.3880 54.5655 38.7099 175.9405 591 W 4.9407 7.9842 116.9362 55.0621 31.9795 176.3219 592 G 4.1716 8.5626 110.4397 44.5894 0.0000 174.1742 593 D 4.4894 8.9538 119.7080 58.2615 40.6596 179.7929 594 E 4.1010 8.2772 118.0351 61.2477 29.6192 181.2361 595 G 3.8681 7.9327 105.6839 47.4501 0.0000 175.2394 596 L 3.8356 7.8219 124.2728 58.3186 42.3216 179.5317 597 K 4.4774 8.3731 126.3767 60.1832 31.4365 180.8239 598 R 4.6560 7.6014 119.2860 59.0299 29.6957 181.7796 *600 F 5.4326 7.9862 119.8178 58.7588 41.1679 177.6562 601 R 4.0251 8.4887 120.2278 59.3724 29.7165 178.4263 602 R 3.8845 8.3680 118.7780 59.5074 30.0697 178.2730 603 I 3.9907 8.1919 119.1275 64.8375 36.9521 177.3613 604 Y 3.8142 8.1272 118.6239 60.9798 38.6927 178.4137 605 R 3.9896 8.1290 117.1525 59.0566 30.3655 178.0808 606 H 4.6668 8.5967 118.4225 57.6929 30.0075 174.8446 607 L 4.8468 7.0192 119.7108 54.3457 42.5441 177.2538 608 R 4.3387 8.6977 121.2999 54.5702 32.0504 174.1987 609 P 4.4118 0.0000 0.0000 63.8848 31.4477 177.0919 610 G 3.9223 9.0219 112.8104 44.9655 0.0000 173.7521 611 G 3.9890 8.4081 110.2390 46.8465 0.0000 173.4749 612 I 5.4241 8.9414 119.4387 58.3911 40.3829 174.5306 613 L 5.0422 8.7506 125.8900 53.3323 44.7490 175.2474 614 V 4.4999 8.8032 127.2822 61.5884 33.0245 174.1021 615 L 5.0883 8.9820 130.7886 53.3750 44.9686 174.7934 616 E 4.9532 8.8484 126.8635 52.6892 30.1601 172.4861 617 P 5.0792 0.0000 0.0000 60.9473 32.7895 175.9005 618 Q 4.2666 8.6195 121.5610 54.9031 29.7474 174.6041 619 P 4.5072 0.0000 0.0000 61.7613 32.4568 177.1940 620 W 4.0308 9.0776 130.8313 60.9543 30.6551 178.3409 621 S 4.1405 8.6713 116.3904 62.5792 61.2387 177.6210 622 S 3.9163 8.2760 116.6260 61.2092 62.3471 177.6451 *623 Y 3.6085 7.6433 118.3271 60.9137 37.3543 177.9886 624 G 3.7615 7.1984 109.2167 49.0442 0.0000 174.6154 625 K 3.5459 7.2533 122.7539 56.5635 32.3563 179.6883 626 R 3.7705 8.6315 125.2785 57.0681 26.2733 173.4001 627 K 4.4540 7.6365 118.8304 55.9105 32.2276 180.2753 628 T 4.7204 7.7039 111.6114 61.9926 69.9289 179.1114 629 L 4.2585 8.2393 126.8691 58.5279 41.5196 181.5792 630 T 4.8138 7.4399 112.9100 61.6955 73.4635 179.8063 631 E 4.3104 8.8654 124.5133 61.9492 29.8666 181.1400 632 T 4.1075 7.8885 116.5049 66.9207 68.6179 180.2564 633 I 4.3440 7.6896 126.7866 65.0410 35.5100 180.2320 *634 Y 4.4563 8.0821 126.2080 62.0974 36.3258 181.3929 635 K 4.3951 8.5609 128.6505 59.9839 31.5942 181.3049 636 N 4.7240 8.0812 120.8289 58.3174 37.4844 181.3427 *637 Y 3.9353 7.8121 122.4546 61.9847 36.8323 179.8124 638 Y 4.7612 7.5118 117.6019 60.0291 38.6441 178.4009 639 R 4.3942 7.5817 120.1630 59.3016 29.7250 181.7760 640 I 4.1125 7.8326 121.4248 63.1964 37.1354 176.3665 641 Q 4.5360 9.5337 123.1936 54.2388 29.0516 171.6072 642 L 4.6350 8.1979 122.3875 54.6466 42.9573 176.7303 643 K 4.5988 8.2588 127.6666 53.2107 32.9715 173.3811 644 P 2.0000 0.0000 0.0000 66.1726 30.8524 179.3706 645 E 3.9977 8.1032 117.8418 61.1480 29.7049 181.0195 646 Q 4.7209 7.8233 117.5661 57.3128 28.8580 181.4166 647 F 4.9013 7.9974 121.5084 62.6933 39.1965 178.2401 648 S 4.2106 8.3726 119.8713 64.2339 61.8886 179.0177 649 S 4.4886 8.0394 120.8761 63.2240 62.4084 177.2273 650 Y 4.5108 8.3744 123.1276 60.5298 38.4875 177.6534 651 L 4.0057 8.5912 120.3412 56.6989 41.3365 178.3858 652 T 5.2433 7.3098 108.5360 59.8949 69.5227 174.4749 653 S 4.5929 6.9385 116.8706 56.4962 64.6800 173.3564 654 P 4.1423 0.0000 0.0000 66.1221 31.2551 178.4957 655 D 4.3785 7.4607 115.5304 55.3890 39.4718 181.4740 656 V 3.8890 7.9483 116.9750 63.4564 32.8376 175.2856 657 G 2.6120 7.9005 111.1096 44.8632 0.0000 173.8980 658 F 4.2334 7.7204 123.0930 59.1589 39.2705 177.1681 659 S 4.4222 9.1544 126.7789 62.3689 62.8763 171.4369 660 S 4.7547 8.1959 117.0553 59.7494 66.6537 177.8325 *661 Y 5.6851 8.2475 119.6932 59.6222 40.8574 173.4726 662 E 4.8072 8.2563 112.9639 56.6706 33.9751 174.0577 663 L 4.4594 8.5252 123.8872 55.1649 42.9414 175.1173 664 V 4.0305 8.6936 121.4819 64.8046 33.7633 176.4986 *676 R 4.2116 7.5241 117.2132 54.7987 30.8454 175.6870 677 P 4.5302 0.0000 0.0000 63.2765 32.2071 175.2930 678 V 4.8100 8.3227 121.3834 62.0836 34.8014 174.3635 *679 Y 5.1924 9.1864 129.3014 56.1940 41.6252 172.9657 680 L 5.1407 8.9422 125.9139 53.6747 44.1894 176.3523 *681 F 5.0601 8.6491 124.0384 54.8553 41.2289 171.3062 682 H 5.4184 9.2937 121.4724 53.2446 31.3072 173.6787 683 K 4.9267 9.1191 124.3033 54.4402 33.8907 175.5615 684 A 4.4327 8.8551 131.2483 52.9034 19.8314 178.3381 685 R 4.1412 8.4398 117.7074 56.3939 29.6825 176.2228 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 431 D 8.21 4.59 0.00 2.62 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 0.00 432 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 R 8.29 4.20 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 434 L 7.92 4.60 0.00 1.75 1.62 0.92 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 0.00 435 R 7.97 4.53 0.00 1.94 1.87 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 436 V 7.80 4.16 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 0.94 0.00 0.00 0.93 0.00 0.00 437 L 7.80 4.43 0.00 1.67 1.48 0.92 0.60 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 0.00 438 K 8.16 4.34 0.00 1.65 1.69 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 0.99 7.81 439 P 0.00 2.97 0.00 1.64 1.06 0.00 3.16 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.01 0.00 440 E 7.92 4.06 0.00 2.03 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 2.16 2.25 0.00 *441 W 7.73 4.07 0.00 2.64 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 0.00 0.00 0.00 0.00 *442 F 8.27 5.02 0.00 2.59 2.47 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 0.00 443 R 7.15 4.85 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 444 G 9.30 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 0.00 0.00 0.00 445 R 8.45 4.77 0.00 1.79 1.99 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 446 D 9.58 5.32 0.00 2.64 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 0.00 447 V 9.19 4.89 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 0.75 0.00 0.00 1.00 0.00 0.00 448 L 8.52 4.29 0.00 0.27 0.72 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.15 4.91 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 L 8.72 4.00 0.00 1.61 1.42 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.41 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 0.00 0.00 0.00 0.00 452 C 8.75 4.34 0.00 3.24 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 0.00 453 N 8.19 3.85 0.00 2.82 2.44 0.00 0.00 7.18 8.56 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 0.00 454 V 8.28 3.64 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 0.68 0.00 0.00 0.89 0.00 0.00 455 G 8.66 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 0.00 0.00 0.00 *456 H 8.45 4.13 0.00 2.93 3.11 0.00 7.19 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 7.85 4.15 0.00 1.64 1.70 0.92 0.71 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 0.00 458 T 8.07 4.09 4.62 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 1.11 0.00 0.00 459 L 8.69 4.18 0.00 1.82 1.74 1.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 460 S 8.11 3.92 0.00 3.74 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 0.00 461 I 7.77 3.45 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 1.45 0.54 0.91 0.00 0.00 462 A 7.62 4.22 1.54 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 0.00 0.00 463 C 8.13 3.85 0.00 1.60 2.48 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 0.00 464 K 8.12 3.79 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.30 7.81 465 W 8.40 4.94 0.00 3.53 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 0.00 466 G 7.74 4.34 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 0.00 467 P 0.00 5.00 0.00 2.12 2.06 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 468 S 8.31 4.34 0.00 3.90 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0.00 0.00 0.00 0.00 2.43 2.41 0.00 486 N 7.54 4.84 0.00 2.82 2.83 0.00 0.00 6.79 7.84 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 0.00 487 I 7.13 4.52 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.90 0.00 0.00 *539 V 7.92 3.97 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 0.75 0.00 0.00 0.93 0.00 0.00 540 P 0.00 4.65 0.00 2.01 2.22 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 541 L 9.26 4.10 0.00 1.60 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 542 D 7.31 4.38 0.00 2.83 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 0.00 543 G 8.85 3.51 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 0.00 544 A 8.45 4.08 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 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0.00 612 I 8.94 5.42 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 1.11 0.84 0.91 0.00 0.00 613 L 8.75 5.04 0.00 1.81 1.25 0.97 0.89 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 0.00 614 V 8.80 4.50 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 0.96 0.00 0.00 0.93 0.00 0.00 615 L 8.98 5.09 0.00 1.66 1.42 1.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 616 E 8.85 4.95 0.00 2.10 1.81 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 2.23 2.13 0.00 617 P 0.00 5.08 0.00 2.17 2.37 0.00 3.85 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 618 Q 8.62 4.27 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 619 P 0.00 4.51 0.00 2.19 1.98 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 620 W 9.08 4.03 0.00 3.39 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 629 L 8.24 4.26 0.00 1.66 1.62 0.92 0.78 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 0.00 630 T 7.44 4.81 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 0.00 631 E 8.87 4.31 0.00 1.97 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 2.31 1.94 0.00 632 T 7.89 4.11 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 0.00 633 I 7.69 4.34 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 1.49 1.50 0.91 0.00 0.00 *634 Y 8.08 4.46 0.00 2.32 2.33 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 0.00 635 K 8.56 4.40 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 636 N 8.08 4.72 0.00 2.74 2.84 0.00 0.00 6.98 7.97 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 *637 Y 7.81 3.94 0.00 2.38 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 0.00 0.00 0.00 0.00 638 Y 7.51 4.76 0.00 3.14 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 0.00 639 R 7.58 4.39 0.00 1.93 1.84 0.00 3.28 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 640 I 7.83 4.11 1.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.11 1.19 0.00 0.00 641 Q 9.53 4.54 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 642 L 8.20 4.63 0.00 1.56 1.91 1.02 0.49 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 0.00 643 K 8.26 4.60 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.03 7.81 644 P 0.00 2.00 0.00 1.97 2.01 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 645 E 8.10 4.00 0.00 2.06 1.89 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 2.24 1.96 0.00 646 Q 7.82 4.72 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 647 F 8.00 4.90 0.00 3.12 2.98 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 0.00 648 S 8.37 4.21 0.00 3.73 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 0.00 649 S 8.04 4.49 0.00 3.70 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 0.00 650 Y 8.37 4.51 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 0.00 651 L 8.59 4.01 0.00 1.51 1.50 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.31 5.24 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 1.32 0.00 0.00 653 S 6.94 4.59 0.00 3.98 4.09 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 0.00 654 P 0.00 4.14 0.00 2.01 2.12 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 655 D 7.46 4.38 0.00 2.77 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 0.00 656 V 7.95 3.89 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 1.07 0.00 0.00 0.75 0.00 0.00 657 G 7.90 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 0.00 0.00 0.00 658 F 7.72 4.23 0.00 3.24 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 0.00 659 S 9.15 4.42 0.00 3.40 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 0.00 660 S 8.20 4.75 0.00 3.37 3.70 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 0.00 0.00 0.00 *661 Y 8.25 5.69 0.00 2.04 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 0.00 0.00 0.00 662 E 8.26 4.81 0.00 1.61 1.77 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 2.21 1.85 0.00 663 L 8.53 4.46 0.00 1.64 1.59 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.69 4.03 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 0.83 0.00 0.00 0.93 0.00 0.00 *676 R 7.52 4.21 0.00 1.90 1.74 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 677 P 0.00 4.53 0.00 2.23 2.22 0.00 3.62 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 2.10 1.97 0.00 678 V 8.32 4.81 2.10 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 1.05 0.00 0.00 1.00 0.00 0.00 *679 Y 9.19 5.19 0.00 1.96 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 0.00 0.00 0.00 680 L 8.94 5.14 0.00 1.28 1.54 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *681 F 8.65 5.06 0.00 1.92 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 0.00 0.00 0.00 682 H 9.29 5.42 0.00 3.15 3.30 0.00 5.56 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 0.00 683 K 9.12 4.93 0.00 1.65 1.71 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.52 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.20 1.17 7.81 684 A 8.86 4.43 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 0.00 685 R 8.44 4.14 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.