NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 403 M 4.8923 8.2893 120.3146 55.8452 32.0772 174.2229 404 Y 4.8233 7.9016 119.0123 54.9767 41.6514 172.6220 405 A 4.5224 9.5081 123.6232 51.3950 19.8360 176.9254 406 P 4.7377 0.0000 0.0000 62.8083 32.3451 176.0501 407 K 4.7898 9.4118 122.8433 54.6695 34.9558 175.2437 408 L 5.4388 8.5651 122.9291 53.3631 45.0802 175.7577 409 Q 4.6898 9.1989 119.3233 53.9474 33.6227 174.3826 410 G 4.8416 8.3796 111.7089 45.4732 0.0000 170.4898 411 P 4.6811 0.0000 0.0000 62.4623 32.4587 176.8450 412 V 3.8386 8.7321 121.1366 65.4465 32.6374 175.2663 413 A 5.2345 8.0406 120.6237 50.0418 21.1086 176.1618 414 V 4.4810 8.3990 121.2150 61.1923 35.0983 173.8129 415 Y 5.3303 8.4648 123.9572 56.8974 40.9817 174.5003 416 T 4.6631 8.5993 116.3866 61.5654 72.0053 171.3041 417 W 5.5014 7.8352 119.3010 53.9391 32.0267 174.7716 418 E 4.3826 9.2662 119.9174 58.5675 29.1883 178.1333 419 G 3.8507 9.3694 111.8361 45.1191 0.0000 172.3010 420 N 4.5033 7.2856 118.8329 51.1521 39.9765 174.2752 421 Q 4.3302 8.4494 128.3504 56.3239 29.9266 175.4989 422 V 4.4850 8.4307 124.2581 60.1346 35.4843 173.5439 423 N 5.1637 8.5659 118.9303 51.8770 40.5304 174.2906 424 I 4.1596 8.3689 124.5651 60.1991 39.0828 174.6751 425 T 4.6199 8.3264 123.6375 62.1003 70.3711 174.7712 426 C 5.0281 8.9265 126.1752 54.8641 46.8330 172.3523 427 E 4.8766 9.2245 127.2690 55.4956 30.7793 176.2572 428 V 4.9943 8.0484 122.5856 59.9164 34.6927 174.9345 429 F 4.8995 9.2142 121.5957 55.9456 41.9118 173.9172 430 A 4.9245 8.6351 123.5540 51.1316 22.3124 174.7418 431 Y 4.4419 6.8345 120.2643 55.1163 42.1560 173.3773 432 P 3.5315 0.0000 0.0000 61.5413 32.1478 175.8544 433 S 3.9438 8.2807 113.6288 59.3214 62.4594 173.6602 434 A 4.7873 8.2473 127.9993 51.0549 21.4737 175.8666 435 T 4.5282 8.4847 115.7068 61.9532 70.9422 174.0198 436 I 4.7425 8.2915 127.0785 60.2802 38.7013 175.2898 437 S 4.8142 8.9655 122.6031 56.4553 66.3366 173.1195 438 W 5.2880 8.4142 121.6943 55.0798 32.5755 174.6154 439 F 5.3095 9.5485 120.5842 55.9220 43.3387 173.9122 440 R 4.3823 8.7205 121.4155 55.5553 33.2668 175.0750 441 D 4.1882 9.4508 126.8611 55.4822 38.2174 174.9140 442 G 3.9318 7.9439 105.3669 45.7287 0.0000 172.4794 443 Q 4.4011 8.2847 122.6855 54.4195 29.8543 174.2640 444 L 3.9055 8.5920 128.1223 55.0981 42.5654 175.9751 445 L 4.7532 8.0360 126.6280 52.4346 43.5446 174.8208 446 P 4.5434 0.0000 0.0000 63.0161 32.4345 175.6157 447 S 4.7209 8.4382 114.5622 56.3211 65.5582 175.0887 448 S 4.1724 8.8114 120.8625 61.2129 62.7668 175.3654 449 N 4.3684 8.1484 117.7144 55.4487 38.9527 174.7929 450 Y 4.7989 8.1048 116.0860 56.1708 38.1651 176.3163 451 S 4.2773 7.9858 114.2345 60.2876 63.9640 175.3093 452 N 4.8295 8.0928 118.5952 52.8537 38.4793 174.1296 453 I 4.9905 7.6426 119.7221 59.8138 40.4839 175.0046 454 K 4.6540 8.8793 125.4057 54.5659 36.1415 175.0065 455 I 4.6685 8.4065 126.0213 60.4436 39.3909 175.2618 *456 Y 4.5823 9.1120 127.7163 55.8827 39.3104 171.5474 457 N 5.3142 8.8254 123.0072 51.2162 39.9635 174.9417 458 T 4.8000 8.7649 112.0066 58.8543 72.1050 173.1885 459 P 4.2834 0.0000 0.0000 64.9346 31.5542 177.6095 460 S 4.4697 7.4931 110.7362 58.0517 64.2469 173.2148 461 A 4.7204 7.4879 120.7753 51.0640 22.8642 175.0223 462 S 5.0441 8.6202 115.8402 56.7519 65.3866 172.4153 463 Y 5.1193 9.2215 123.6851 56.0943 41.2335 174.2241 464 L 4.0873 8.0108 126.5290 53.2781 43.7086 175.1591 465 E 4.6569 8.9134 128.0575 55.4012 30.6709 175.4529 466 V 4.4690 8.2919 125.5387 61.1755 34.2441 174.6068 467 T 4.6428 8.3649 124.8550 60.8040 69.8886 171.8630 468 P 4.2876 0.0000 0.0000 63.2325 32.1465 177.5039 469 D 4.8060 9.2712 122.4396 52.6418 41.1709 172.6474 470 S 4.6584 7.5066 113.8106 59.0910 65.3039 176.7343 471 E 4.3692 8.9698 122.2726 59.9606 29.3615 180.1918 472 N 4.6567 8.2595 114.3900 54.4287 37.6688 177.2817 473 D 4.7017 7.9102 114.7891 55.5188 41.4196 176.6582 474 F 4.6600 7.7032 118.3540 56.7767 41.0467 174.4523 475 G 4.0587 8.6927 106.4146 44.4118 0.0000 172.5454 476 N 5.3998 8.6894 119.1444 53.2929 39.7157 174.6090 477 Y 5.0281 9.2237 119.9698 56.2260 42.4819 173.8411 478 N 5.5356 9.4047 121.0615 52.0730 42.2819 171.9905 479 C 4.7064 9.5025 126.8257 54.9376 44.5350 172.4131 480 T 5.2744 9.0124 115.5869 59.8768 72.2487 172.6130 481 A 5.1988 8.8992 123.8363 50.3390 22.9355 175.2126 482 V 4.9510 8.6987 120.8447 61.3113 35.5031 174.3592 483 N 5.3442 8.7618 123.3759 51.4569 40.4195 174.4222 484 R 3.8794 8.8066 117.4567 59.4252 30.1749 177.7902 485 I 4.1137 8.0063 117.7581 62.3694 38.4952 175.7701 486 G 4.0403 7.1975 105.5506 45.9914 0.0000 171.4662 487 Q 5.1009 8.5091 117.3820 54.5767 33.0267 174.0407 488 E 4.8183 9.0695 121.8121 54.9563 33.8058 174.1068 489 S 5.1027 9.2242 118.9885 56.8050 67.4556 173.4102 490 L 4.5849 9.0159 124.4164 53.3176 45.2362 174.6383 491 E 5.0116 8.5794 126.6758 54.9440 31.3293 174.7731 492 F 5.2109 9.7609 124.1543 55.7720 43.4424 174.0665 493 I 4.9051 8.9825 122.2901 59.5767 39.8306 174.6047 494 L 4.7750 9.4515 130.8965 54.2546 43.1637 175.2943 495 V 4.4761 8.9197 127.8988 61.3966 33.4774 174.6163 496 Q 4.0103 8.3310 129.0484 55.2266 29.1009 175.4311 497 A 4.5017 9.0060 129.4515 52.6480 19.4434 175.7328 498 D 5.0125 8.7300 119.3111 52.2710 44.5377 175.6589 499 T 4.5567 8.2074 111.5458 60.5968 70.1569 172.5526 500 P 4.7696 0.0000 0.0000 62.3478 32.8032 176.5247 501 S 4.9353 8.5414 118.1900 57.8724 63.9559 173.6369 502 S 4.7334 8.4604 114.0857 56.9942 64.0447 172.4021 503 P 4.6624 0.0000 0.0000 62.7645 32.6134 175.3754 504 S 4.7009 8.9032 115.5002 56.6171 65.1471 172.8294 505 I 4.4610 8.5257 128.4004 61.4784 37.1189 175.2652 506 D 4.7143 9.0571 127.5945 56.3636 41.8837 177.0278 507 Q 4.6699 7.7284 114.7820 54.4669 33.6922 173.8208 508 V 4.4721 8.2129 120.7465 61.1646 34.4224 174.5479 509 E 4.4260 9.0392 130.1778 54.0455 30.2346 172.4809 510 P 4.7454 0.0000 0.0000 61.4414 33.0127 176.0883 511 Y 4.9699 8.8395 119.5959 57.9102 37.7623 178.3602 512 S 4.5749 9.0262 118.8652 61.3368 63.9293 175.2529 513 S 5.3514 8.2486 111.2073 57.0621 64.5498 173.2531 514 T 5.0834 7.7328 109.7710 60.8170 72.6985 172.1804 515 A 5.0196 8.4962 122.0788 50.7944 23.1316 175.2020 516 Q 4.5969 9.0032 120.4411 54.7405 30.9304 175.0046 517 V 4.3509 8.8209 124.4307 61.1778 33.7559 173.9021 518 Q 5.0467 8.8962 130.5100 54.8828 30.6561 174.3052 519 F 5.3848 8.5745 120.2888 55.7009 41.7517 173.0726 520 D 4.8194 9.3082 119.8130 52.5491 42.6758 176.4872 521 E 4.7960 8.7507 121.9898 55.7505 30.5073 174.9803 522 P 4.5857 0.0000 0.0000 62.5743 31.2888 176.8711 523 E 4.0215 9.1369 122.7486 58.2821 29.9402 177.0022 524 A 4.6773 8.1530 122.2620 50.2942 21.0675 176.8221 525 T 3.8569 8.5617 113.5478 62.9015 69.6183 175.9856 526 G 4.1668 7.1409 110.0624 45.9470 0.0000 174.4146 527 G 3.5193 7.8157 106.8552 44.9604 0.0000 174.4917 528 V 4.5901 7.1346 111.2904 58.5366 35.3631 173.7238 529 P 4.4302 0.0000 0.0000 62.2457 31.8768 176.5710 530 I 3.9089 8.1614 122.3306 61.7295 37.8117 175.6294 531 L 4.5934 9.1521 124.9039 56.1141 43.8328 176.5226 532 K 5.3118 7.6606 115.4120 55.3981 37.2540 174.6169 533 Y 5.0088 9.4226 118.9966 56.1213 41.5786 174.7962 534 K 4.3836 8.8625 123.9632 54.4053 34.6156 174.5675 535 A 5.2698 8.9670 129.2312 50.4938 21.8081 175.2645 536 E 5.3707 9.3423 119.7291 54.5660 34.2506 174.8394 537 W 6.2293 8.9519 118.6372 55.7295 32.5346 173.7198 538 R 4.9195 9.1096 120.6507 54.7697 33.1941 174.2137 539 A 3.6468 9.8312 129.2582 51.3757 19.0051 178.6796 540 V 3.2716 8.2167 121.4330 64.2036 31.2550 177.5329 541 G 3.8252 7.7339 105.9077 44.7986 0.0000 172.6785 542 E 4.4586 7.7005 118.1547 54.7688 31.5380 175.7652 543 E 4.1215 8.4031 117.8403 57.4079 30.3542 177.0923 544 V 4.0182 7.2808 117.9942 60.9401 32.6382 174.8920 545 W 4.4013 8.5565 127.3728 56.6922 29.4309 175.9266 546 H 4.4125 8.8995 123.3275 55.3580 29.5982 174.6360 547 S 4.8563 7.8278 113.9784 56.9215 66.5995 172.7992 548 K 4.7458 9.0520 120.2763 55.0733 35.7295 174.6562 549 W 5.2191 8.7299 125.3465 55.3963 31.8178 174.9642 550 Y 4.9022 9.1587 119.3197 56.1107 42.1055 174.6383 551 D 4.7673 9.0204 122.8088 54.0544 42.1729 177.0149 552 A 4.4985 9.0707 128.0911 54.5622 18.0907 179.8582 553 K 3.8990 8.3837 118.1628 59.4904 32.5992 178.2019 554 E 4.2709 8.1827 117.7140 58.9668 29.9661 178.4995 555 A 4.0808 8.2250 120.7464 55.1508 18.2531 179.3316 556 S 4.3660 8.3103 111.8226 60.3352 63.1541 175.6871 557 M 4.2165 7.7545 121.1934 57.8506 31.7280 177.0393 558 E 4.4105 7.7013 113.1746 54.6427 31.8200 175.5042 559 G 3.0750 7.8888 107.4393 46.2697 0.0000 173.4689 560 I 5.1219 7.3380 117.2462 59.3110 41.2953 176.3188 561 V 4.3369 8.6692 118.5105 59.7452 35.6786 174.4664 562 T 4.9506 8.3700 119.6685 61.9239 70.3389 174.0182 563 I 4.2196 8.2238 119.6106 59.2958 40.2211 174.9157 564 V 4.5425 7.3104 115.7216 60.2201 36.0812 174.9945 565 G 3.8669 8.7836 107.4317 46.5314 0.0000 173.7822 566 L 4.5525 7.9602 119.2973 53.6524 43.5842 175.9577 567 K 4.9512 8.9467 120.9888 54.2396 33.6055 175.2075 568 P 4.6406 0.0000 0.0000 62.1680 32.4108 174.9890 569 E 4.0188 8.3580 118.2875 56.6573 28.7630 174.6522 570 T 4.6863 8.1678 112.5052 61.8762 73.1294 174.2530 571 T 4.6097 8.1858 121.7228 63.1323 70.2601 173.3986 572 Y 4.8429 8.5516 122.6752 55.9934 42.4048 174.2935 573 A 5.4408 8.6901 123.4973 50.6389 21.8091 176.5049 574 V 5.6372 9.0815 119.5344 60.2975 35.3291 174.6606 575 R 5.0665 9.2599 118.1511 54.9836 33.6315 173.2518 576 L 5.1391 8.6873 119.9963 53.5053 45.9620 174.6577 577 A 5.0360 9.0546 125.3142 50.1355 23.2712 174.4952 578 A 4.6139 8.3766 120.3232 49.9100 22.2357 175.2569 579 L 5.0311 8.8291 124.0385 53.5503 44.6089 175.2017 580 N 5.0337 8.4531 123.8758 50.8251 40.3056 175.0376 581 G 2.3729 8.2892 106.2805 48.1428 0.0000 174.9092 582 K 3.2909 7.2311 120.5948 57.0750 32.6967 177.2644 583 G 3.7697 6.5953 104.5707 44.1322 0.0000 170.6674 584 L 4.4941 7.9270 122.3757 54.4219 42.8813 177.7540 585 G 3.9882 8.5407 114.0081 45.2484 0.0000 172.3588 586 E 4.1859 8.2807 120.5433 56.3324 30.6149 177.4065 587 I 4.2070 8.1980 127.5779 60.9289 38.0096 176.0655 588 S 4.4541 8.6280 120.8593 57.6433 63.8724 173.9896 589 A 4.0526 8.5372 123.2347 52.4442 18.7154 177.3117 590 A 4.5996 8.3818 122.3248 51.8439 19.8565 176.7884 591 S 4.8247 9.2210 115.9963 56.4762 65.0002 172.6363 592 E 5.1170 8.9090 128.1052 55.6119 30.7599 174.8465 593 F 5.1349 8.8020 120.1859 55.6074 42.2108 172.6976 594 K 5.1632 8.6506 119.9320 54.6717 34.4069 175.8505 595 T 4.5251 8.9828 117.4762 61.4851 70.4102 174.0974 596 Q 4.3002 9.1171 122.4445 55.2643 30.0300 174.3497 597 P 4.7406 0.0000 0.0000 62.1773 32.6238 176.1905 598 V 3.7333 8.1398 119.9314 62.5775 32.1820 175.6098 599 Q 4.3780 8.7414 125.0450 55.9936 29.4398 172.9066 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 403 M 8.29 4.89 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 404 Y 7.90 4.82 0.00 3.12 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 0.00 405 A 9.51 4.52 1.29 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 0.00 0.00 0.00 406 P 0.00 4.74 0.00 1.97 2.02 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 407 K 9.41 4.79 0.00 1.77 1.72 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 408 L 8.57 5.44 0.00 1.49 1.56 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 409 Q 9.20 4.69 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 410 G 8.38 4.84 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 0.00 0.00 0.00 411 P 0.00 4.68 0.00 2.35 2.20 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 412 V 8.73 3.84 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 0.90 0.00 0.00 0.93 0.00 0.00 413 A 8.04 5.23 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 V 8.40 4.48 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 0.93 0.00 0.00 0.95 0.00 0.00 415 Y 8.46 5.33 0.00 3.02 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 0.00 416 T 8.60 4.66 4.19 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 1.27 0.00 0.00 417 W 7.84 5.50 0.00 3.46 3.28 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 0.00 418 E 9.27 4.38 0.00 2.18 2.09 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 2.51 2.76 0.00 419 G 9.37 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 0.00 0.00 0.00 420 N 7.29 4.50 0.00 1.44 1.47 0.00 0.00 7.06 6.89 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 0.00 421 Q 8.45 4.33 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 422 V 8.43 4.48 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 0.52 0.00 0.00 0.96 0.00 0.00 423 N 8.57 5.16 0.00 2.56 2.78 0.00 0.00 6.91 7.45 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 0.00 424 I 8.37 4.16 1.14 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.19 0.21 0.00 0.00 425 T 8.33 4.62 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 1.24 0.00 0.00 426 C 8.93 5.03 0.00 2.83 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 0.00 427 E 9.22 4.88 0.00 2.12 1.73 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 2.28 2.28 0.00 428 V 8.05 4.99 2.01 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 0.64 0.00 0.00 0.92 0.00 0.00 429 F 9.21 4.90 0.00 3.03 3.11 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 0.00 0.00 0.00 430 A 8.64 4.92 1.19 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 0.00 0.00 431 Y 6.83 4.44 0.00 2.96 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 432 P 0.00 3.53 0.00 1.79 1.56 0.00 3.46 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 433 S 8.28 3.94 0.00 3.82 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 0.00 434 A 8.25 4.79 1.20 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 0.00 0.00 435 T 8.48 4.53 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 1.19 0.00 0.00 436 I 8.29 4.74 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.41 0.41 0.00 0.00 437 S 8.97 4.81 0.00 3.77 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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512 S 9.03 4.57 0.00 3.94 3.94 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 0.00 513 S 8.25 5.35 0.00 3.95 4.05 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 0.00 514 T 7.73 5.08 4.18 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 1.12 0.00 0.00 515 A 8.50 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 Q 9.00 4.60 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 517 V 8.82 4.35 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 0.89 0.00 0.00 0.70 0.00 0.00 518 Q 8.90 5.05 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.42 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 519 F 8.57 5.38 0.00 3.05 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 0.00 520 D 9.31 4.82 0.00 2.60 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 0.00 521 E 8.75 4.80 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 522 P 0.00 4.59 0.00 1.97 2.14 0.00 3.97 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 2.10 2.22 0.00 523 E 9.14 4.02 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 524 A 8.15 4.68 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 0.00 525 T 8.56 3.86 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 1.20 0.00 0.00 526 G 7.14 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 G 7.82 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 4.59 2.34 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 1.14 0.00 0.00 0.95 0.00 0.00 529 P 0.00 4.43 0.00 2.08 2.00 0.00 4.05 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 2.08 2.03 0.00 530 I 8.16 3.91 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.42 0.53 0.00 0.00 531 L 9.15 4.59 0.00 1.50 1.67 0.81 0.86 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 0.00 532 K 7.66 5.31 0.00 1.93 2.11 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.51 7.81 533 Y 9.42 5.01 0.00 2.92 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 0.00 534 K 8.86 4.38 0.00 0.79 0.89 0.00 0.80 0.00 0.00 1.23 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.77 0.21 7.81 535 A 8.97 5.27 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 0.00 536 E 9.34 5.37 0.00 1.77 1.88 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 2.06 2.04 0.00 537 W 8.95 6.23 0.00 3.71 3.48 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 0.00 538 R 9.11 4.92 0.00 0.67 0.66 0.00 2.63 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.18 0.00 539 A 9.83 3.65 0.80 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 0.00 540 V 8.22 3.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.83 0.00 0.00 541 G 7.73 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 0.00 0.00 0.00 542 E 7.70 4.46 0.00 2.00 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 2.29 2.14 0.00 543 E 8.40 4.12 0.00 1.92 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 2.21 2.19 0.00 544 V 7.28 4.02 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 0.55 0.00 0.00 0.88 0.00 0.00 545 W 8.56 4.40 0.00 3.10 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 0.00 546 H 8.90 4.41 0.00 1.40 2.39 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 S 7.83 4.86 0.00 3.68 3.61 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 0.00 548 K 9.05 4.75 0.00 2.23 1.86 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.61 1.34 7.81 549 W 8.73 5.22 0.00 3.11 3.14 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 0.00 550 Y 9.16 4.90 0.00 3.02 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 0.00 551 D 9.02 4.77 0.00 2.77 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 0.00 552 A 9.07 4.50 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 K 8.38 3.90 0.00 1.83 1.93 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 554 E 8.18 4.27 0.00 2.22 2.05 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 2.44 2.48 0.00 555 A 8.22 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.37 0.00 4.13 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 0.00 557 M 7.75 4.22 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.52 0.00 558 E 7.70 4.41 0.00 1.80 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 2.13 2.20 0.00 559 G 7.89 3.07 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 0.00 0.00 0.00 560 I 7.34 5.12 1.78 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 1.24 0.73 0.84 0.00 0.00 561 V 8.67 4.34 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 0.17 0.00 0.00 0.45 0.00 0.00 562 T 8.37 4.95 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 1.10 0.00 0.00 563 I 8.22 4.22 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.18 0.62 0.00 0.00 564 V 7.31 4.54 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 0.66 0.00 0.00 0.98 0.00 0.00 565 G 8.78 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 0.00 566 L 7.96 4.55 0.00 1.46 1.38 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 567 K 8.95 4.95 0.00 1.79 1.80 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 568 P 0.00 4.64 0.00 2.11 2.10 0.00 3.58 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 569 E 8.36 4.02 0.00 2.10 2.01 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 2.24 2.23 0.00 570 T 8.17 4.69 4.55 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 0.75 0.00 0.00 571 T 8.19 4.61 4.07 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 1.18 0.00 0.00 572 Y 8.55 4.84 0.00 1.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 5.44 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 0.00 574 V 9.08 5.64 2.58 0.00 0.00 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 1.18 0.00 0.00 575 R 9.26 5.07 0.00 1.84 1.98 0.00 2.29 0.00 0.00 2.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.00 576 L 8.69 5.14 0.00 1.58 1.30 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 577 A 9.05 5.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.38 4.61 0.91 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 0.00 0.00 579 L 8.83 5.03 0.00 1.96 1.74 0.96 0.51 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 0.00 580 N 8.45 5.03 0.00 2.84 2.78 0.00 0.00 6.49 6.28 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 0.00 581 G 8.29 2.37 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 0.00 582 K 7.23 3.29 0.00 1.51 1.81 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 583 G 6.60 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 L 7.93 4.49 0.00 1.71 1.59 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 585 G 8.54 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 0.00 586 E 8.28 4.19 0.00 2.07 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 2.27 2.27 0.00 587 I 8.20 4.21 1.74 0.00 0.00 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 1.24 0.54 0.71 0.00 0.00 588 S 8.63 4.45 0.00 3.96 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 0.00 589 A 8.54 4.05 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 0.00 590 A 8.38 4.60 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 0.00 591 S 9.22 4.82 0.00 3.95 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 0.00 592 E 8.91 5.12 0.00 2.07 1.88 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 2.26 2.29 0.00 593 F 8.80 5.13 0.00 3.16 3.10 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 0.00 594 K 8.65 5.16 0.00 1.75 1.72 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 595 T 8.98 4.53 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 596 Q 9.12 4.30 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 597 P 0.00 4.74 0.00 2.09 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 598 V 8.14 3.73 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 0.79 0.00 0.00 0.95 0.00 0.00 599 Q 8.74 4.38 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.