NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 416 I 4.2810 7.8827 121.4523 61.0815 37.7545 174.3426 417 V 3.7970 7.6122 125.6064 62.1432 32.1091 174.6984 418 G 4.0184 8.8801 112.8965 46.4645 0.0000 173.9982 419 G 4.1199 7.7809 110.3255 44.7797 0.0000 172.8307 420 Y 4.9760 7.7905 117.0026 55.4484 41.9405 175.0088 421 T 4.1475 8.6462 118.4222 63.8836 69.0628 174.9346 422 C 4.5230 8.8058 125.3130 56.5774 40.8498 173.8454 423 Q 4.1884 8.8988 124.5256 55.6054 29.3513 175.5828 424 E 3.3967 9.0318 121.8508 58.0456 30.3286 177.3384 425 N 4.0306 7.9101 116.5583 55.2595 35.6554 174.6310 426 S 4.6260 7.7272 112.4108 57.9885 65.4168 174.7228 427 V 3.9272 7.0203 119.9995 60.4967 31.2765 173.9210 428 P 4.4237 0.0000 0.0000 65.2894 32.1731 178.4973 429 Y 5.0643 6.9487 116.0495 58.8095 39.3594 175.9922 430 Q 4.5468 7.2277 120.8780 56.9177 29.7653 176.1999 431 V 4.8408 8.6995 116.9859 59.8858 37.1921 173.9826 432 S 4.8309 8.6280 115.3279 56.6428 65.5638 172.5879 433 L 4.6269 8.4908 127.5042 53.6795 43.3054 175.1885 434 N 5.6388 8.8357 121.6932 52.6008 41.9167 173.1263 *437 S 4.5420 9.2674 121.3779 57.8140 63.8558 174.2583 438 G 4.1161 8.8597 113.4312 45.7456 0.0000 172.1963 439 Y 4.6698 6.9071 116.8244 55.9884 40.4722 172.7512 440 H 4.7877 8.7785 120.8142 55.7844 30.3716 174.3951 441 F 5.0369 7.6574 120.2555 57.2666 39.9964 174.1565 442 C 4.7153 6.6566 114.7683 55.8411 42.2820 173.6190 443 G 4.1156 8.5599 108.7474 45.7749 0.0000 172.1898 444 G 4.4506 7.9806 105.2088 46.4893 0.0000 172.4798 445 S 5.2744 8.3682 114.7445 56.6466 67.5218 173.4289 446 L 4.9635 8.6482 126.1097 54.1672 42.7542 176.9976 447 I 4.5187 8.8557 119.3816 61.3355 39.8481 174.9255 448 N 5.0091 7.7685 116.6053 51.1791 40.0265 174.6276 449 D 4.5847 8.7814 115.7418 55.1102 39.2986 176.9899 450 Q 4.5219 8.9082 118.4704 55.4915 32.2491 173.8658 451 W 5.2900 8.5733 118.1504 55.4724 32.9250 174.4732 452 V 4.9448 8.9507 123.8657 61.1928 34.4568 174.2495 453 V 4.8346 8.9840 126.5763 61.4799 33.4132 173.2324 454 S 5.2254 8.5975 125.3973 57.4748 65.6254 172.3536 455 A 4.6779 8.4045 119.0726 49.8984 21.5857 177.3178 456 A 3.7577 8.3128 124.4811 55.3608 18.3456 179.5134 457 H 4.4990 7.7451 109.4700 57.9857 28.7965 175.5674 458 C 4.7161 7.8574 116.7648 57.3618 40.0287 173.1432 459 Y 4.2170 7.5100 121.5438 57.8612 38.8645 175.5336 460 K 4.3164 6.9326 123.9576 54.6423 36.2682 176.2576 461 S 4.0638 8.5326 117.0318 60.4804 63.0748 174.8841 462 R 4.5336 7.5857 119.0449 53.8962 32.2548 174.9077 463 I 4.6527 8.0087 122.4656 59.5554 41.7258 173.6397 464 Q 4.7231 8.9477 128.0942 54.3656 31.4204 174.3599 465 V 4.5669 8.6246 120.2857 59.9916 34.2166 175.0789 466 R 5.0733 8.8019 124.3076 53.6940 32.1933 175.4262 *468 L 4.3567 8.4372 123.4163 54.4897 43.8611 176.9303 469 G 4.2229 8.6419 105.3641 46.1253 0.0000 173.7269 470 E 4.6324 8.0510 117.7914 55.6218 31.3535 176.0667 471 H 4.6889 8.9602 117.8928 57.5323 33.1953 172.6019 472 N 5.1353 9.2422 122.9875 51.6618 38.4736 174.9972 473 I 3.5920 8.4863 127.1733 62.6856 38.1201 176.5517 474 N 4.5896 8.0466 116.0146 53.5306 39.2504 174.8687 475 V 4.3103 7.0462 116.2799 59.7215 33.8022 174.7155 476 L 4.9381 8.1457 118.8744 52.4859 42.9302 176.3902 477 E 4.2669 8.9814 123.8603 56.2802 30.4923 177.5407 478 G 3.9547 8.5489 105.2537 45.2339 0.0000 173.3451 479 D 4.6614 7.5916 117.9141 54.4125 41.8709 176.6157 480 E 4.6138 7.6452 117.6939 56.2330 31.0080 176.3700 481 Q 4.4696 8.5948 119.5050 54.8989 32.9478 173.6715 482 F 5.2784 8.8976 123.9856 56.0351 40.5072 175.6283 483 V 4.4425 8.4975 124.2429 60.9001 34.4089 174.3606 484 N 4.8684 8.7608 125.0766 52.5755 39.9694 174.3639 485 A 4.2296 8.6895 125.9033 52.5433 18.4151 177.1187 486 A 4.3277 9.2390 125.2050 53.3549 20.4696 178.0678 487 K 4.5289 7.5926 114.0500 54.7637 36.3584 175.5979 488 I 4.8127 8.6462 125.8298 59.8478 39.2055 175.4963 489 I 4.6578 9.4959 130.2641 59.1864 38.9012 175.3149 490 K 4.6954 8.6253 126.2502 56.0929 34.1388 176.3898 491 H 3.3585 8.6838 121.8709 56.2701 29.9952 174.4125 492 P 4.2410 0.0000 0.0000 65.2220 31.3506 176.4192 493 N 4.8269 7.7963 114.5281 53.0780 39.1049 174.0543 494 F 4.4880 8.0859 119.4233 57.4391 39.9664 173.9008 495 D 4.3782 7.9642 127.7353 51.9144 41.8366 176.7924 496 R 3.4916 7.7273 123.6882 57.8972 29.7373 177.7143 497 K 4.0940 7.5813 117.6967 57.6686 31.0973 177.3813 498 T 4.2152 7.1027 106.1650 60.0044 69.7367 174.2269 499 L 3.8213 7.7418 121.1363 55.8107 39.9246 174.0788 500 N 4.5121 7.3235 115.0720 54.3701 40.0245 174.1731 501 N 4.6283 8.6606 119.7991 53.5636 36.4911 176.4367 502 N 4.5814 7.7889 116.1490 52.3989 38.1210 173.9416 503 I 4.7573 7.2641 121.9939 59.3889 42.4545 172.4929 504 M 5.4910 8.5300 125.4269 54.3628 36.1064 173.1429 505 L 5.4691 9.1024 122.4844 53.1145 46.1131 175.6478 506 I 4.9787 8.8668 122.1986 59.4600 41.2853 174.0375 507 K 3.6300 8.4467 128.5612 54.0451 34.0010 175.3589 508 L 4.4189 8.5737 128.6013 54.3678 42.3594 178.2020 509 S 4.2814 8.7076 118.5087 60.4804 63.0410 174.1054 510 S 4.5350 7.5284 112.7433 56.5293 65.4064 172.2391 511 P 4.7123 0.0000 0.0000 62.7525 31.8429 176.3633 512 V 4.2638 8.3079 115.9555 60.2049 33.6393 176.0678 513 K 4.3887 7.8379 122.9396 55.2133 32.4142 177.0111 514 L 4.5609 8.5159 126.1121 54.5979 43.1397 176.8396 515 N 4.5272 8.4497 120.5393 52.7226 39.5543 175.0150 516 A 4.2472 8.7950 120.1168 54.7303 19.5141 179.3302 517 R 4.1800 9.3126 115.1355 57.3686 30.1405 180.4916 518 V 4.7265 7.7678 114.3470 60.4578 32.9494 173.9304 519 A 5.1694 8.4238 125.8133 50.3222 23.0816 174.6217 520 T 5.0589 8.5710 109.3249 60.8860 70.5537 174.4774 521 V 4.4842 8.1284 122.8024 59.9024 33.6014 175.4544 522 A 4.2892 7.9497 124.5758 51.7319 19.5335 177.3173 523 L 4.2744 8.3595 120.6435 53.6579 42.8143 175.4641 524 P 4.3318 0.0000 0.0000 62.9842 31.5071 176.7735 525 S 4.2756 8.2808 115.4545 59.1095 62.9372 173.6549 *527 S 4.3266 7.5139 112.3176 58.6612 63.8253 173.0915 528 C 4.7205 8.4082 116.9392 55.7815 41.0214 173.6663 529 A 4.3536 8.8304 127.7946 50.9037 18.9281 175.9653 530 P 4.2382 0.0000 0.0000 62.3690 32.2144 175.4570 *532 A 4.1047 8.2100 122.1552 53.6451 19.3597 177.4194 533 G 3.9787 9.0096 110.9798 45.1408 0.0000 174.0826 534 T 4.0645 7.4731 118.0321 63.5339 69.5235 173.7860 535 Q 4.4439 8.6473 125.8278 55.9242 29.8144 175.8917 536 C 5.2749 9.2244 120.6312 55.0926 46.0548 172.4144 537 L 5.2357 9.0884 121.5234 53.6235 44.3748 175.1774 538 I 5.1722 8.8783 127.0693 59.1914 40.1123 174.7870 539 S 4.8267 8.0434 117.8741 56.6636 65.8601 173.4945 540 G 4.1560 7.1023 110.8978 45.1697 0.0000 172.3624 541 W 4.5890 8.3110 117.6111 56.3895 29.5702 177.1724 542 G 4.0726 8.1130 106.5711 43.6917 0.0000 173.2982 543 N 4.3582 8.0728 117.9121 54.1033 39.2770 174.5781 544 T 4.8202 8.3140 117.6499 62.3136 69.7817 173.8439 545 L 4.9173 7.8130 120.5995 52.9351 45.1666 176.7760 546 S 4.2604 8.7829 117.6724 60.8450 63.2480 174.9595 547 S 4.5127 8.0824 115.8662 57.8080 63.9723 174.9980 548 G 3.9704 8.9373 111.2243 45.0346 0.0000 171.8231 549 V 4.5617 7.9009 117.5378 61.0998 34.0446 174.9925 550 N 4.7950 9.6721 126.2449 52.2457 41.0210 172.1531 551 E 4.6036 8.6542 124.6304 54.3227 29.7864 174.8778 552 P 4.5003 0.0000 0.0000 63.0923 32.3019 175.9685 553 D 4.8633 8.7110 118.3222 55.1753 43.2156 176.4786 554 L 5.7748 7.7577 116.7563 51.8331 43.8532 176.4682 555 L 2.9486 8.2815 124.6487 55.6612 42.9286 176.3170 556 Q 4.5986 7.9802 125.4179 55.7230 30.6293 174.3327 557 C 5.1855 8.3605 117.7412 55.5632 45.7615 172.8264 558 L 4.8368 8.2139 120.1339 54.3182 45.7669 173.2709 559 D 5.5242 9.0269 125.1546 52.6819 42.7699 175.4074 560 A 4.7284 8.7532 124.4099 49.8733 23.2715 173.1810 561 P 5.7228 0.0000 0.0000 60.5397 34.4915 174.6658 562 L 4.3637 8.1411 121.0399 54.8392 42.5083 176.5613 563 L 4.6778 8.7421 124.5127 52.8518 43.5080 175.1822 564 P 4.3008 0.0000 0.0000 62.4657 32.1105 177.1920 565 Q 3.9529 9.0875 123.6809 59.4842 28.7072 178.7736 566 A 3.9999 8.0711 120.9422 55.6614 18.4080 179.2779 567 D 4.4257 8.0512 116.9200 57.3700 40.8111 178.3081 568 C 4.2944 8.0397 118.5873 59.8875 43.5981 175.3133 569 E 3.9860 8.6739 118.7967 59.4416 29.1035 178.9366 570 A 4.1345 8.3192 120.2995 55.2658 18.4669 179.6002 571 S 4.1187 7.8232 112.9856 60.2795 64.3144 174.4653 572 Y 4.7931 7.8036 118.9868 54.7150 37.9163 171.3560 573 P 4.4298 0.0000 0.0000 63.7896 31.9675 176.6052 574 G 3.9824 9.0065 111.8220 46.6120 0.0000 173.8329 575 K 4.4415 8.0605 117.4445 55.2447 34.1836 176.5089 576 I 4.3283 7.8486 119.9180 59.9093 36.7542 175.5746 577 T 4.4115 8.2097 116.9785 60.3446 70.3173 174.9591 578 D 4.5043 8.5596 119.9154 55.2538 39.9533 176.4347 579 N 5.1736 7.9166 116.8754 52.1342 37.5812 173.8978 580 M 5.5456 7.5806 116.9430 54.3304 35.5474 175.5345 581 V 4.5998 8.9318 119.9872 60.7758 35.6500 172.4979 582 C 5.2683 8.8743 120.8394 56.0549 41.9489 172.5467 583 V 4.5797 9.4755 123.8917 59.4599 33.1537 174.1888 584 G 3.7734 6.8500 116.7061 44.7197 0.0000 173.1651 584A F 4.8545 8.2238 122.5162 55.5076 42.7892 175.6723 585 L 4.2133 8.6893 124.7895 57.0249 41.7951 178.8400 586 E 4.0259 8.2908 115.8383 56.9426 30.1455 177.3556 587 G 3.7908 7.5926 106.9153 44.7127 0.0000 171.2118 588 G 4.2322 9.2206 108.4227 44.8331 0.0000 174.0028 588A K 4.7747 7.4612 119.0736 54.6926 34.3489 175.0203 589 D 4.6603 8.5273 124.2195 54.1257 45.3608 174.0490 590 S 5.0937 8.4818 115.9595 57.9497 65.3238 173.5058 591 C 4.6270 9.0302 119.3754 55.8022 47.5936 171.8051 592 Q 4.1522 8.6175 119.4368 59.3581 28.0210 178.0125 593 G 4.2549 9.0574 110.4709 45.6579 0.0000 173.4322 594 D 4.6765 8.5671 119.6159 55.0862 41.8244 176.8222 595 S 4.2141 7.9542 115.3636 59.4445 63.5447 174.7609 596 G 4.0705 8.5399 112.4694 46.1060 0.0000 173.9466 597 G 4.2322 7.9606 107.0553 45.2548 0.0000 171.5684 598 P 4.9060 0.0000 0.0000 62.3403 33.2461 176.3650 599 V 4.5724 8.2115 121.3503 61.4656 34.1664 173.5331 600 V 4.8190 8.7135 128.4792 61.2173 34.0105 173.7934 601 C 5.0176 8.6735 124.2382 55.5850 43.9438 174.0538 602 N 4.1784 10.0492 121.5671 54.3594 35.5200 175.3185 603 G 3.9530 8.5028 103.8989 45.3683 0.0000 173.1908 604 E 5.0241 7.9362 118.9469 53.1783 31.9885 174.7611 *609 L 4.3120 8.3145 124.6510 55.4882 42.1299 175.5741 610 Q 4.3002 8.9305 126.1476 57.0407 30.4496 175.5916 611 G 4.9528 7.8498 103.6545 45.4221 0.0000 172.0434 612 I 5.0116 8.1751 118.8409 59.3287 41.6387 175.3364 613 V 3.5103 8.8807 127.7200 63.8520 31.8565 174.2268 614 S 4.8413 8.3817 120.7332 58.3454 64.1855 173.9509 615 W 4.9477 7.7447 113.9396 55.7151 32.2723 172.2792 616 G 3.6045 8.1615 105.9731 46.5005 0.0000 172.0290 617 Y 4.8286 8.7468 121.4800 56.1045 39.4287 174.8750 *619 G 3.8255 8.2031 118.3621 45.4579 0.0000 171.7371 620 C 4.8959 8.0675 117.5793 56.5676 40.9063 173.7008 621 A 3.9025 9.0765 124.2917 52.8267 16.6862 177.2140 621A L 4.4308 7.3685 116.7831 54.7573 41.4802 175.5157 622 P 4.4511 0.0000 0.0000 63.8437 31.9405 176.8445 623 D 4.6252 9.2468 120.8755 55.1655 39.0681 175.1080 624 N 4.8707 7.4579 115.7593 51.1700 39.4377 172.5436 625 P 4.5389 0.0000 0.0000 62.0413 32.8065 176.9644 626 G 3.7227 8.6973 107.2926 46.2866 0.0000 172.3734 627 V 4.5604 8.0724 121.5923 60.9827 33.7129 174.2864 628 Y 5.1915 9.3059 124.3897 56.2649 42.6080 174.6789 629 T 4.6987 8.6734 118.7922 63.0665 70.2130 174.0613 630 K 4.1636 9.3926 129.2875 56.3981 32.5970 177.8002 631 V 4.0360 8.8914 129.1144 65.7591 31.3039 175.3206 632 C 4.4739 8.2998 112.8061 57.8886 41.1320 174.4512 633 N 4.4536 7.7862 116.9368 53.7344 38.2644 175.2489 634 Y 4.9175 8.0081 116.9989 56.9182 40.0838 177.2478 635 V 3.6563 8.2159 121.0777 66.5964 31.3443 177.6946 636 D 4.3887 8.1419 117.6647 56.8651 40.5858 178.4505 637 W 4.2525 8.2659 128.8103 60.3701 30.8329 177.9418 638 I 3.0667 8.1879 122.3421 64.9473 36.2414 178.9395 639 Q 3.8478 8.2881 121.7575 60.1412 27.7465 180.6332 640 D 4.4771 7.6338 118.1166 57.6361 41.4779 178.6067 641 T 3.6647 7.6108 116.4949 66.2254 67.9770 176.9069 642 I 2.2616 6.8505 120.8214 63.9025 37.1504 177.9558 643 A 4.0248 7.0645 118.5744 55.0871 18.2028 179.2014 644 A 4.0911 7.7434 118.5235 54.4243 18.6341 177.8269 645 N 4.7357 8.0815 118.6297 53.5342 39.0788 174.8777 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 416 I 7.88 4.28 1.80 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 1.51 1.06 0.87 0.00 0.00 417 V 7.61 3.80 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 1.13 0.00 0.00 0.99 0.00 0.00 418 G 8.88 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 0.00 419 G 7.78 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 0.00 420 Y 7.79 4.98 0.00 3.03 2.99 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 0.00 421 T 8.65 4.15 4.30 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 1.25 0.00 0.00 422 C 8.81 4.52 0.00 2.77 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 0.00 423 Q 8.90 4.19 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 424 E 9.03 3.40 0.00 1.95 1.76 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 2.24 2.39 0.00 425 N 7.91 4.03 0.00 2.79 3.11 0.00 0.00 6.76 7.57 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 0.00 426 S 7.73 4.63 0.00 3.92 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 0.00 427 V 7.02 3.93 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 0.44 0.00 0.00 0.76 0.00 0.00 428 P 0.00 4.42 0.00 2.26 2.19 0.00 3.30 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 2.10 2.02 0.00 429 Y 6.95 5.06 0.00 3.09 3.38 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 0.00 430 Q 7.23 4.55 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.74 0.00 0.00 0.00 0.00 0.00 2.01 2.53 0.00 431 V 8.70 4.84 2.13 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 0.94 0.00 0.00 0.95 0.00 0.00 432 S 8.63 4.83 0.00 3.46 3.31 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 0.00 433 L 8.49 4.63 0.00 0.49 0.99 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 434 N 8.84 5.64 0.00 2.48 2.38 0.00 0.00 7.05 7.27 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 *437 S 9.27 4.54 0.00 3.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 G 8.86 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 0.00 439 Y 6.91 4.67 0.00 3.15 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 0.00 440 H 8.78 4.79 0.00 2.90 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 441 F 7.66 5.04 0.00 3.07 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 0.00 442 C 6.66 4.72 0.00 2.19 2.81 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 0.00 443 G 8.56 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 0.00 444 G 7.98 4.45 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 0.00 445 S 8.37 5.27 0.00 3.70 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 0.00 446 L 8.65 4.96 0.00 1.84 1.63 1.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 447 I 8.86 4.52 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 1.53 1.01 0.92 0.00 0.00 448 N 7.77 5.01 0.00 2.98 2.96 0.00 0.00 6.03 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 0.00 449 D 8.78 4.58 0.00 2.95 2.99 0.00 0.00 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0.00 0.90 0.00 0.00 466 R 8.80 5.07 0.00 1.51 1.70 0.00 2.62 0.00 0.00 2.41 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 *468 L 8.44 4.36 0.00 1.74 1.70 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 469 G 8.64 4.22 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 0.00 470 E 8.05 4.63 0.00 2.16 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 2.62 2.20 0.00 471 H 8.96 4.69 0.00 3.17 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 472 N 9.24 5.14 0.00 2.84 2.82 0.00 0.00 6.94 8.38 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 0.00 473 I 8.49 3.59 0.56 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.57 0.58 0.00 0.00 474 N 8.05 4.59 0.00 2.86 2.85 0.00 0.00 6.79 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 0.00 475 V 7.05 4.31 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 0.74 0.00 0.00 0.94 0.00 0.00 476 L 8.15 4.94 0.00 1.61 1.59 0.89 0.91 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 0.00 477 E 8.98 4.27 0.00 2.08 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 0.00 2.30 2.26 0.00 478 G 8.55 3.95 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 0.00 0.00 0.00 479 D 7.59 4.66 0.00 2.69 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 0.00 480 E 7.65 4.61 0.00 1.61 2.13 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 2.23 1.87 0.00 481 Q 8.59 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 482 F 8.90 5.28 0.00 2.79 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 0.00 483 V 8.50 4.44 2.06 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 1.09 0.00 0.00 0.96 0.00 0.00 484 N 8.76 4.87 0.00 2.66 2.67 0.00 0.00 7.02 7.21 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 0.00 485 A 8.69 4.23 1.18 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 0.00 0.00 0.00 486 A 9.24 4.33 1.17 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 0.00 487 K 7.59 4.53 0.00 1.51 1.69 0.00 1.64 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.40 7.81 488 I 8.65 4.81 2.07 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 1.10 0.00 0.00 489 I 9.50 4.66 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 1.16 0.00 0.00 490 K 8.63 4.70 0.00 1.74 1.74 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.34 1.35 7.81 491 H 8.68 3.36 0.00 2.83 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 P 0.00 4.24 0.00 1.97 2.08 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.11 0.00 493 N 7.80 4.83 0.00 2.65 2.84 0.00 0.00 6.92 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 0.00 494 F 8.09 4.49 0.00 3.04 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 0.00 495 D 7.96 4.38 0.00 2.58 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 0.00 496 R 7.73 3.49 0.00 1.89 1.80 0.00 3.03 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 497 K 7.58 4.09 0.00 1.73 1.77 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 498 T 7.10 4.22 4.10 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 1.10 0.00 0.00 499 L 7.74 3.82 0.00 1.38 1.72 0.33 1.36 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 0.00 500 N 7.32 4.51 0.00 2.74 2.62 0.00 0.00 7.33 6.59 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 0.00 501 N 8.66 4.63 0.00 2.90 2.50 0.00 0.00 6.89 8.09 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 0.00 502 N 7.79 4.58 0.00 3.10 2.82 0.00 0.00 6.97 7.94 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 0.00 503 I 7.26 4.76 1.46 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 1.42 1.16 0.27 0.00 0.00 504 M 8.53 5.49 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.69 0.00 505 L 9.10 5.47 0.00 1.77 1.91 0.15 0.63 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 0.00 506 I 8.87 4.98 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.86 0.00 0.00 507 K 8.45 3.63 0.00 0.79 1.01 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.53 0.21 7.81 508 L 8.57 4.42 0.00 1.52 1.53 0.89 0.40 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 0.00 509 S 8.71 4.28 0.00 3.82 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 0.00 510 S 7.53 4.54 0.00 3.79 3.69 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 0.00 511 P 0.00 4.71 0.00 1.98 2.16 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 512 V 8.31 4.26 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 0.67 0.00 0.00 0.96 0.00 0.00 513 K 7.84 4.39 0.00 1.59 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 514 L 8.52 4.56 0.00 1.66 1.62 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 515 N 8.45 4.53 0.00 2.78 2.66 0.00 0.00 6.90 6.64 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 0.00 516 A 8.79 4.25 1.30 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 525 S 8.28 4.28 0.00 4.05 3.83 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 *527 S 7.51 4.33 0.00 4.04 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 0.00 528 C 8.41 4.72 0.00 2.98 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 0.00 529 A 8.83 4.35 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 0.00 530 P 0.00 4.24 0.00 2.18 1.97 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 *532 A 8.21 4.10 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 0.00 533 G 9.01 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 0.00 534 T 7.47 4.06 4.20 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 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0.00 0.00 0.00 0.00 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 A 9.08 3.90 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 621A L 7.37 4.43 0.00 1.64 1.65 0.62 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 622 P 0.00 4.45 0.00 2.20 2.07 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 623 D 9.25 4.63 0.00 2.80 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 0.00 624 N 7.46 4.87 0.00 2.97 2.93 0.00 0.00 6.90 7.90 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 0.00 625 P 0.00 4.54 0.00 2.13 2.03 0.00 3.72 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 2.05 2.11 0.00 626 G 8.70 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 0.00 0.00 0.00 627 V 8.07 4.56 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 0.88 0.00 0.00 -0.31 0.00 0.00 628 Y 9.31 5.19 0.00 2.86 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 0.00 629 T 8.67 4.70 4.30 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 1.23 0.00 0.00 630 K 9.39 4.16 0.00 1.95 1.83 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 631 V 8.89 4.04 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 1.08 0.00 0.00 1.07 0.00 0.00 632 C 8.30 4.47 0.00 3.18 3.24 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 0.00 633 N 7.79 4.45 0.00 2.57 2.33 0.00 0.00 6.58 7.36 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 0.00 634 Y 8.01 4.92 0.00 3.17 3.30 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 0.00 635 V 8.22 3.66 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 1.16 0.00 0.00 1.06 0.00 0.00 636 D 8.14 4.39 0.00 2.78 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 0.00 637 W 8.27 4.25 0.00 3.47 3.60 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 0.00 638 I 8.19 3.07 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.70 0.00 0.00 639 Q 8.29 3.85 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 640 D 7.63 4.48 0.00 2.78 2.76 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 0.00 641 T 7.61 3.66 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 642 I 6.85 2.26 1.41 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.51 0.00 0.00 643 A 7.06 4.02 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 0.00 644 A 7.74 4.09 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 0.00 645 N 8.08 4.74 0.00 3.17 3.04 0.00 0.00 6.89 6.88 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 * Residues marked with a * may have inaccurate shift predictions.