NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.3064 8.3149 119.9797 56.9737 33.8631 174.8757 -6 H 4.6139 8.3652 119.0762 53.7272 32.6644 172.1370 -5 H 4.3842 8.5019 120.0550 55.4459 28.2416 174.4893 -4 H 4.6307 7.8982 120.9218 54.2085 27.4047 174.7881 -3 H 4.7543 8.0000 124.9393 55.6056 30.4119 173.9389 -2 H 4.8843 8.4094 117.3610 54.8899 32.7819 172.8527 -1 H 3.9031 8.4053 114.4679 56.9920 26.0773 175.5667 *432 I 4.2041 7.4137 116.7886 61.5429 38.2947 176.7151 433 K 4.5806 8.1170 125.2327 53.5611 32.3524 174.9205 434 P 4.3466 0.0000 0.0000 64.8344 31.7941 178.7923 435 G 3.8635 8.2082 105.5292 47.3806 0.0000 173.6972 436 A 5.1322 8.1777 122.0909 51.7177 19.1445 176.3951 437 L 5.5233 8.0314 116.8861 53.8009 43.8456 175.4700 438 C 5.2301 9.1878 116.0467 57.0482 34.2522 172.3197 439 V 4.7210 8.4506 118.5987 61.2453 33.4677 174.1552 440 I 4.7994 8.6456 128.9892 59.9491 39.1816 173.9820 441 D 5.2773 9.3293 127.4753 52.6371 43.9793 174.8805 442 T 4.9705 8.8027 114.8933 59.1724 72.4732 173.2103 443 P 4.3402 0.0000 0.0000 65.2252 31.3976 177.7711 444 E 4.2113 8.1212 116.3889 56.8899 30.3297 177.4393 445 G 3.7671 6.1131 105.4118 44.8725 0.0000 171.5606 446 K 5.1119 8.1479 119.5964 54.8606 36.0883 175.7383 447 G 4.2594 8.9809 109.1180 45.4894 0.0000 170.9230 448 T 5.1114 8.8568 116.2264 62.1289 70.5910 174.8710 449 G 4.6275 9.1243 112.0098 44.4076 0.0000 171.3485 450 F 5.4477 8.2232 113.9082 55.0099 41.9164 173.6667 451 F 4.9382 9.2065 120.2723 57.2314 40.3661 175.1277 452 S 5.0297 9.3307 117.9353 58.1267 66.4489 173.4756 453 G 3.8167 8.4374 117.0999 47.4228 0.0000 173.1548 454 N 4.8022 8.8511 123.0733 53.1119 38.9417 173.1205 455 D 5.5198 8.3979 116.8313 52.5599 44.8452 174.9059 456 I 4.5654 8.8900 121.4689 59.6022 39.5836 174.9969 457 V 4.1138 8.0289 127.5381 61.5277 33.6477 174.6456 458 T 4.8994 7.7711 120.1392 60.9883 71.5221 172.1153 459 A 4.5342 8.4021 124.1027 51.2467 19.7226 178.1985 460 A 3.9074 8.4832 123.9575 55.6985 18.2084 180.1452 461 H 4.3124 8.0097 110.9144 57.8636 28.8684 177.4172 462 V 3.6405 7.2472 121.2132 65.8600 31.5887 177.6851 463 V 3.7037 7.7400 117.7539 63.9831 31.7450 176.7013 464 G 3.7638 8.3911 106.5161 47.3311 0.0000 174.0498 465 N 4.8193 8.7744 117.7326 52.9455 38.9098 174.4695 466 N 4.8332 7.5855 117.1608 51.7531 39.0350 174.9685 467 T 3.9190 8.5540 121.5823 65.7664 69.7614 174.3779 468 F 5.3015 8.1788 119.0098 55.7466 40.9855 175.8308 469 V 4.6428 8.8907 116.3400 59.4995 35.8442 174.3388 470 N 5.2370 8.7404 119.7769 52.5882 40.4135 174.5155 471 V 4.8843 9.3022 122.8496 61.2306 34.8323 173.4869 472 C 5.3771 9.2849 128.6151 57.8904 34.0187 171.8406 473 Y 4.9968 9.0829 126.8768 56.7641 42.1372 174.7017 474 E 3.7234 9.6431 125.9317 57.2367 27.3232 175.8915 475 G 3.9124 8.5333 106.0677 45.0140 0.0000 173.6213 476 L 4.5086 7.8955 122.3972 53.4192 43.5268 174.7035 477 M 5.0458 8.3237 125.5123 54.8265 33.2413 175.1341 478 Y 4.8450 9.5515 120.6607 56.0864 42.0753 174.2519 479 E 4.9668 8.9351 123.2084 55.6324 30.9438 175.2096 480 A 4.9135 9.2440 127.0907 50.2819 23.5776 174.3957 481 K 4.5340 8.4668 120.9839 54.0977 34.5923 175.6927 482 V 3.7468 8.3208 128.2887 63.9397 31.4018 175.2887 483 R 4.3820 9.2166 128.7051 58.3279 31.2851 175.9621 484 Y 4.9686 7.6971 118.4037 56.9528 42.4499 173.3783 485 M 4.6936 8.4195 126.3385 52.3866 32.7140 173.5427 486 P 4.2148 0.0000 0.0000 61.4015 32.9118 176.4382 487 E 4.0103 8.6693 118.2769 59.1524 29.5971 177.6945 488 K 4.0917 7.7763 116.3469 56.7145 33.3108 176.9021 489 D 4.7743 8.3927 121.7217 54.6465 38.9577 175.7021 490 I 4.9790 7.3426 117.3173 59.3151 41.7316 176.5167 491 A 4.5507 8.5343 126.1746 50.0205 22.3906 174.9556 492 F 4.9787 8.8393 120.2158 55.6867 41.6624 174.6406 493 I 4.8027 8.5706 125.0866 59.3511 39.9007 175.2995 494 T 4.2128 8.3314 124.2332 63.5662 68.8028 173.9488 495 C 4.2718 8.6388 128.2918 58.5782 32.2977 171.7285 496 P 4.3675 0.0000 0.0000 62.7809 31.5535 177.6672 497 G 3.6986 8.8087 111.0423 48.2042 0.0000 173.9187 498 D 4.5085 8.0351 116.6582 53.1018 40.1492 175.8636 499 L 4.0093 7.4514 123.1889 54.4104 41.5703 175.8160 500 H 4.7133 8.1851 124.9610 52.9961 28.6937 172.2782 501 P 3.8770 0.0000 0.0000 62.1450 31.7748 177.5121 502 T 4.1143 8.5675 110.1056 63.5153 69.3957 174.4980 503 A 4.7063 7.4107 123.8586 51.1192 22.0810 175.0017 504 R 5.1284 8.2757 118.1012 54.4871 34.2871 174.5451 505 L 4.8474 8.9549 120.0861 53.3268 43.5288 176.5314 506 K 4.6894 8.5257 121.8205 54.9177 34.8563 175.7895 507 L 4.8578 8.3271 121.8655 54.1655 42.9862 176.6689 508 S 4.3864 7.9320 116.0449 57.9738 63.2254 174.6208 509 K 4.1684 8.7187 126.9666 58.9558 32.2369 177.4903 510 N 4.8485 7.5849 116.6669 50.2994 38.5091 170.3735 511 P 3.9560 0.0000 0.0000 62.0059 31.8529 175.7667 512 D 4.5285 8.2774 123.9322 53.1412 40.8541 175.2411 513 Y 4.5360 8.3212 123.9645 58.3644 38.5283 176.9410 514 S 4.5227 8.5034 117.3245 60.9942 64.1239 173.9552 515 C 5.3022 7.8352 112.4213 56.7405 32.8316 173.6988 516 V 4.7503 8.8248 112.2581 60.1882 36.5467 174.2823 517 T 4.9052 8.7270 118.7594 61.8310 71.5450 173.2871 518 V 4.6562 8.8964 126.8234 61.2748 33.9077 174.0649 519 M 5.2590 8.2577 126.8909 53.5174 34.3929 175.0253 520 A 4.7049 8.6930 124.0502 50.6061 23.5945 174.2783 521 Y 4.8463 8.6701 118.1847 56.7707 39.2822 175.8098 522 V 4.2953 9.0796 125.5742 61.6665 33.6879 175.5840 523 N 3.9644 8.3926 127.5641 54.8454 37.4774 176.1726 524 E 4.3295 9.0273 124.9282 57.7391 30.3243 175.5149 525 D 5.0771 8.0250 120.6510 52.2276 43.2293 175.1600 526 L 4.2509 8.4345 125.1849 55.0549 43.1610 176.1539 527 V 4.3799 8.8819 125.7836 61.1196 34.4878 174.0710 528 V 5.0684 8.4549 127.6846 61.1093 33.9559 174.5853 529 S 4.8105 8.9070 121.2973 57.2167 66.6697 173.3647 530 T 4.8829 8.1950 111.2796 60.9990 70.8734 173.3735 531 A 4.4862 8.0655 120.7376 50.7765 23.0753 175.9173 532 A 4.5518 8.4547 121.8815 52.1699 19.7317 176.5109 533 A 5.2896 8.7612 121.6761 50.6142 22.9487 175.4376 534 M 4.6709 9.0729 117.7479 53.5456 36.5968 174.6543 535 V 4.2800 7.9040 121.9619 61.6956 33.3216 175.5603 536 Y 4.6529 8.8828 125.5670 56.2937 39.8229 177.5840 537 G 3.9714 8.2090 118.3581 46.8973 0.0000 171.8731 538 N 4.7266 9.0306 122.8611 53.0016 38.9869 173.4471 539 T 5.0987 7.7038 116.1679 61.6298 71.4140 172.8622 540 L 5.1337 9.0008 128.3743 53.4981 44.4753 175.0955 541 S 5.2623 9.0235 122.6451 57.1652 66.1692 172.6690 542 Y 5.2059 7.6399 118.3075 55.8199 41.3487 173.5653 543 A 4.6817 8.1865 124.6411 52.4522 19.0689 177.3623 544 V 4.7065 8.8457 114.4076 59.8310 34.7918 176.3870 545 R 4.3649 8.8413 120.3906 57.4164 30.7575 176.6401 546 T 4.8902 7.6077 110.7213 60.3240 70.4828 173.3785 547 Q 3.9697 8.3846 124.0306 57.2525 29.2858 175.9642 548 D 4.4732 7.7188 117.8423 53.4925 41.3994 175.9347 549 G 3.6785 8.5094 108.7291 46.9875 0.0000 173.0115 550 M 4.5495 8.3917 124.4520 54.2047 33.1023 176.3662 551 S 4.5673 7.9423 116.3580 60.6161 63.2972 175.3923 552 G 4.2534 9.3164 113.2094 46.1613 0.0000 173.6911 553 A 4.2585 7.9058 122.5066 51.6646 19.3058 175.3109 554 P 4.3034 0.0000 0.0000 62.6114 33.0127 175.3777 555 V 4.2130 8.8125 124.0561 61.6706 32.9660 174.4091 556 C 5.1755 8.8507 126.5056 57.9337 31.4610 174.0698 557 D 4.9321 8.7313 121.3733 52.2316 40.7006 177.0666 558 K 3.5977 8.2305 116.7131 58.9926 32.4934 177.4812 559 Y 4.6633 8.2066 118.8507 58.5516 38.1282 176.4518 *560 C 3.8132 8.1613 115.4397 58.1385 26.3335 177.2698 561 R 4.6207 7.8629 119.1839 55.6569 30.7345 175.8879 562 V 3.9689 8.5399 123.0699 63.3457 32.0455 176.2631 563 L 4.3546 9.2683 127.3783 56.1839 44.1417 175.9360 564 A 5.0029 7.5820 117.9120 51.2144 23.2036 175.1304 565 V 4.8066 8.4349 119.1286 61.0574 34.1219 174.4846 566 H 4.5278 9.5741 129.2167 57.2776 30.2802 174.5929 567 Q 4.4412 8.9438 124.0992 57.5111 30.7300 175.2943 568 T 4.6910 7.2073 110.9354 61.3030 71.1739 171.1296 569 N 5.4761 8.4876 120.0013 51.3546 40.7228 174.6028 570 T 4.3328 8.5625 111.2054 60.4755 70.3397 174.9486 571 G 3.8385 8.0050 120.3469 47.4709 0.0000 172.1841 572 Y 4.5151 8.6264 121.8993 57.6789 38.0884 173.9827 573 T 4.8600 7.6888 118.6518 61.9889 70.5408 174.3791 574 G 4.0421 9.1424 114.8305 45.0015 0.0000 172.4648 575 G 4.4630 8.7439 107.7924 44.0855 0.0000 171.5712 576 A 5.3017 9.1959 125.0029 49.9926 23.5032 174.7892 577 V 4.5572 8.2404 119.8362 61.3334 33.1070 175.6069 578 I 4.3743 8.6443 129.8516 61.8373 37.5336 175.2728 579 I 4.9787 8.6535 126.8342 59.3603 40.4229 174.1609 580 D 5.0959 9.4614 126.3877 50.7910 42.5416 174.6487 581 P 4.3729 0.0000 0.0000 65.6527 31.3603 178.5739 582 T 4.3061 8.1154 106.8771 63.2672 69.0817 175.5019 583 D 4.6930 8.3612 121.9840 56.8232 41.1393 177.7612 584 F 2.7926 7.9415 116.1515 59.5597 39.0456 175.1697 585 H 4.4134 7.6726 115.4572 53.0245 32.6527 171.3503 586 P 4.4228 0.0000 0.0000 63.0928 31.3570 176.1143 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 -7 K 8.31 4.31 0.00 1.80 1.86 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.39 7.81 -6 H 8.37 4.61 0.00 3.18 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 8.50 4.38 0.00 3.02 2.94 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.90 4.63 0.00 3.18 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.00 4.75 0.00 3.05 3.17 0.00 5.66 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 -2 H 8.41 4.88 0.00 3.13 3.06 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.41 3.90 0.00 3.67 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *432 I 7.41 4.20 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.89 0.00 0.00 433 K 8.12 4.58 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.65 7.81 434 P 0.00 4.35 0.00 2.19 2.04 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 435 G 8.21 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 A 8.18 5.13 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 437 L 8.03 5.52 0.00 1.96 1.91 0.69 0.95 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 0.00 438 C 9.19 5.23 0.00 3.28 3.29 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 0.00 439 V 8.45 4.72 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 1.02 0.00 0.00 0.52 0.00 0.00 440 I 8.65 4.80 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.92 0.00 0.00 441 D 9.33 5.28 0.00 2.72 2.50 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 0.00 442 T 8.80 4.97 4.39 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 1.26 0.00 0.00 443 P 0.00 4.34 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 444 E 8.12 4.21 0.00 1.93 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 2.33 2.30 0.00 445 G 6.11 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 0.00 446 K 8.15 5.11 0.00 1.61 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 447 G 8.98 4.26 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 0.00 448 T 8.86 5.11 4.40 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 1.35 0.00 0.00 449 G 9.12 4.63 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 0.00 0.00 0.00 450 F 8.22 5.45 0.00 3.17 3.09 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 0.00 451 F 9.21 4.94 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.33 5.03 0.00 4.22 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 0.00 453 G 8.44 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 0.00 0.00 0.00 454 N 8.85 4.80 0.00 2.84 2.82 0.00 0.00 6.74 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 D 8.40 5.52 0.00 3.03 2.67 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 0.00 0.00 0.00 0.00 456 I 8.89 4.57 1.66 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 0.40 0.62 0.50 0.00 0.00 457 V 8.03 4.11 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 0.28 0.00 0.00 0.59 0.00 0.00 458 T 7.77 4.90 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 1.03 0.00 0.00 459 A 8.40 4.53 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 0.00 460 A 8.48 3.91 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 0.00 461 H 8.01 4.31 0.00 3.30 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 V 7.25 3.64 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 0.76 0.00 0.00 0.79 0.00 0.00 463 V 7.74 3.70 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 0.97 0.00 0.00 0.84 0.00 0.00 464 G 8.39 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 0.00 465 N 8.77 4.82 0.00 2.71 2.82 0.00 0.00 6.64 8.00 0.00 0.00 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 N 7.59 4.83 0.00 2.77 3.00 0.00 0.00 6.86 8.63 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 0.00 467 T 8.55 3.92 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 0.83 0.00 0.00 468 F 8.18 5.30 0.00 2.93 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 0.00 469 V 8.89 4.64 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 0.77 0.00 0.00 0.98 0.00 0.00 470 N 8.74 5.24 0.00 2.95 2.76 0.00 0.00 6.75 7.60 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 0.00 471 V 9.30 4.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 472 C 9.28 5.38 0.00 3.02 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 0.00 473 Y 9.08 5.00 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 E 9.64 3.72 0.00 1.99 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 1.49 1.97 0.00 475 G 8.53 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 0.00 0.00 0.00 476 L 7.90 4.51 0.00 1.69 1.70 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 477 M 8.32 5.05 0.00 1.95 1.94 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 2.56 2.51 0.00 478 Y 9.55 4.85 0.00 2.80 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 0.00 479 E 8.94 4.97 0.00 2.01 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 2.44 2.39 0.00 480 A 9.24 4.91 1.24 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 0.00 0.00 481 K 8.47 4.53 0.00 1.75 1.57 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.58 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.06 0.28 7.81 482 V 8.32 3.75 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 0.75 0.00 0.00 0.93 0.00 0.00 483 R 9.22 4.38 0.00 1.85 2.18 0.00 3.35 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 484 Y 7.70 4.97 0.00 2.96 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 0.00 485 M 8.42 4.69 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 486 P 0.00 4.21 0.00 2.11 1.84 0.00 3.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 487 E 8.67 4.01 0.00 1.96 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 2.29 2.33 0.00 488 K 7.78 4.09 0.00 1.79 1.72 0.00 2.10 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.49 7.81 489 D 8.39 4.77 0.00 2.58 2.71 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 0.00 490 I 7.34 4.98 1.67 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.26 0.00 0.00 491 A 8.53 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 F 8.84 4.98 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 I 8.57 4.80 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.92 0.00 0.00 494 T 8.33 4.21 4.26 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 1.24 0.00 0.00 495 C 8.64 4.27 0.00 3.15 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 P 0.00 4.37 0.00 2.06 2.07 0.00 3.57 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 2.01 2.15 0.00 497 G 8.81 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 0.00 0.00 0.00 498 D 8.04 4.51 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 L 7.45 4.01 0.00 0.58 1.45 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 500 H 8.19 4.71 0.00 3.13 3.15 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 P 0.00 3.88 0.00 1.52 0.49 0.00 3.49 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.00 502 T 8.57 4.11 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 1.31 0.00 0.00 503 A 7.41 4.71 1.31 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 0.00 0.00 504 R 8.28 5.13 0.00 1.82 1.92 0.00 3.21 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 505 L 8.95 4.85 0.00 1.69 1.63 0.70 0.85 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 0.00 506 K 8.53 4.69 0.00 1.72 1.71 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 507 L 8.33 4.86 0.00 1.56 1.66 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 508 S 7.93 4.39 0.00 3.78 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 0.00 509 K 8.72 4.17 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 510 N 7.58 4.85 0.00 2.65 2.71 0.00 0.00 6.92 8.02 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 0.00 511 P 0.00 3.96 0.00 1.37 1.48 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 512 D 8.28 4.53 0.00 2.56 2.51 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 0.00 513 Y 8.32 4.54 0.00 3.01 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 0.00 514 S 8.50 4.52 0.00 3.94 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 0.00 515 C 7.84 5.30 0.00 3.00 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 0.00 516 V 8.82 4.75 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 0.67 0.00 0.00 0.77 0.00 0.00 517 T 8.73 4.91 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 0.00 1.16 0.00 0.00 518 V 8.90 4.66 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 0.91 0.00 0.00 0.56 0.00 0.00 519 M 8.26 5.26 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 520 A 8.69 4.70 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 0.00 521 Y 8.67 4.85 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 V 9.08 4.30 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 1.03 0.00 0.00 0.96 0.00 0.00 523 N 8.39 3.96 0.00 2.92 2.07 0.00 0.00 7.18 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 0.00 524 E 9.03 4.33 0.00 2.10 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 M 8.39 4.55 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 551 S 7.94 4.57 0.00 3.90 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 0.00 552 G 9.32 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 0.00 0.00 0.00 0.00 553 A 7.91 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 0.00 554 P 0.00 4.30 0.00 1.56 0.49 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 555 V 8.81 4.21 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 0.53 0.00 0.00 0.80 0.00 0.00 556 C 8.85 5.18 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 D 8.73 4.93 0.00 2.75 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 0.00 558 K 8.23 3.60 0.00 1.40 1.55 0.00 1.01 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.06 0.28 7.81 559 Y 8.21 4.66 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *560 C 8.16 3.81 0.00 2.94 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 0.00 561 R 7.86 4.62 0.00 1.98 2.01 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 562 V 8.54 3.97 2.17 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 0.73 0.00 0.00 0.88 0.00 0.00 563 L 9.27 4.35 0.00 1.75 1.87 0.85 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 564 A 7.58 5.00 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 0.00 565 V 8.43 4.81 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 1.02 0.00 0.00 1.08 0.00 0.00 566 H 9.57 4.53 0.00 3.44 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 Q 8.94 4.44 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.39 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 568 T 7.21 4.69 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 1.13 0.00 0.00 569 N 8.49 5.48 0.00 2.69 2.71 0.00 0.00 5.78 7.71 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 0.00 570 T 8.56 4.33 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 1.15 0.00 0.00 571 G 8.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 Y 8.63 4.52 0.00 3.03 3.09 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 0.00 573 T 7.69 4.86 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 1.13 0.00 0.00 574 G 9.14 4.04 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 0.00 0.00 0.00 575 G 8.74 4.46 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 0.00 0.00 0.00 576 A 9.20 5.30 1.46 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 0.00 0.00 577 V 8.24 4.56 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 0.96 0.00 0.00 0.94 0.00 0.00 578 I 8.64 4.37 1.88 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 1.02 0.60 1.04 0.00 0.00 579 I 8.65 4.98 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 1.10 0.00 0.00 580 D 9.46 5.10 0.00 2.98 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 0.00 581 P 0.00 4.37 0.00 2.22 2.10 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 582 T 8.12 4.31 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 583 D 8.36 4.69 0.00 3.10 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 0.00 584 F 7.94 2.79 0.00 3.01 2.70 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 0.00 585 H 7.67 4.41 0.00 2.96 2.96 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 P 0.00 4.42 0.00 2.09 1.89 0.00 3.39 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.