NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 305 S 4.3642 8.2929 115.2872 57.7506 63.4016 174.6358 306 L 3.7763 8.6934 129.0015 56.9476 41.2444 174.0439 307 A 4.0555 9.0671 123.4730 55.2426 19.1861 179.0925 308 L 4.1096 7.6270 114.1811 57.2785 41.7001 178.1008 309 S 4.6143 7.9958 113.7859 58.1613 62.9738 174.1769 310 L 4.4115 7.5092 121.2512 54.3402 42.3392 177.5444 311 T 4.2829 9.7803 114.1582 60.7879 71.1737 175.8190 312 A 3.9333 8.3065 122.4194 55.4909 18.2423 179.5354 313 D 4.3134 7.9007 116.7458 57.2923 40.9658 178.8420 314 Q 4.0186 7.8605 118.9759 58.9168 28.7360 178.2276 315 M 4.0054 8.0262 119.4599 58.3735 32.1729 178.5722 316 V 3.5317 7.5389 118.5545 66.2151 31.8295 178.1568 317 S 4.1228 8.1982 114.7009 61.5778 62.4337 176.6669 318 A 4.0143 8.3419 123.7391 55.1006 17.9032 179.7716 319 L 4.0093 7.6572 116.3184 57.9870 42.0004 179.3371 320 L 4.1879 8.3064 119.3210 57.9786 41.3014 179.3683 321 D 4.4144 7.8638 117.3154 57.2303 40.8909 178.2020 322 A 4.2534 7.7055 119.0545 52.5409 18.8602 177.6034 323 E 3.9793 7.5243 117.0835 56.1650 30.0805 175.6292 324 P 4.6140 0.0000 0.0000 61.4848 32.4076 174.0804 325 P 4.4778 0.0000 0.0000 62.2823 32.1716 175.7670 326 I 4.0359 7.9827 120.3481 60.2355 37.3844 176.3645 327 L 4.4399 8.1999 125.7794 54.2647 42.8127 175.3266 328 Y 4.5029 8.2610 116.5406 56.4884 40.4662 175.2712 329 S 4.7406 8.5665 116.3270 56.2377 64.7002 172.7555 330 E 3.7547 8.4214 124.6806 55.7682 30.4256 176.6839 *331 Y 4.2719 8.6912 125.0440 59.6191 36.8891 175.1766 332 D 5.0748 7.5447 117.1529 51.4800 46.1065 176.1282 333 P 4.7207 0.0000 0.0000 61.8261 30.4300 176.2607 *336 P 3.9436 0.0000 0.0000 61.7879 32.1412 176.0951 337 F 4.4305 8.4318 122.1891 57.3303 39.7546 175.4279 338 S 4.8496 9.4781 120.2831 56.2696 66.7415 174.9906 339 E 3.9756 8.6642 121.8511 59.6792 29.3253 178.7865 340 A 4.0552 7.9515 120.3792 55.0325 18.4834 179.6329 341 S 4.1644 8.5823 113.4008 61.6424 63.2398 176.4282 342 M 3.8679 8.3555 121.9732 58.7472 32.1918 178.1621 343 M 4.1896 8.0499 118.5521 58.0777 31.9328 179.2122 344 G 3.6252 7.8962 105.6455 47.7164 0.0000 175.8037 345 L 4.0021 8.2166 122.3624 57.4872 41.7310 179.6114 346 L 3.7887 7.7851 118.7221 58.1745 41.5314 179.9128 347 T 3.9903 7.8553 115.2387 66.5573 68.3893 176.4761 348 N 3.4743 8.5837 119.4945 56.1433 38.8562 176.6039 349 L 3.8302 8.1586 121.8372 58.1042 42.2603 178.5491 350 A 4.0491 8.4424 120.9908 55.5417 18.1050 179.0981 351 D 4.1488 7.7565 115.0718 57.4107 40.9402 178.4351 352 R 4.0637 7.6312 118.2877 59.0754 30.0663 178.6266 353 E 4.0920 8.5876 118.8555 59.5221 29.3862 179.3189 354 L 4.0092 8.1514 118.9552 57.7660 41.5649 179.8981 355 V 3.5773 7.4937 117.2238 66.2306 31.4037 177.7025 356 H 4.1224 8.1216 115.4964 59.1814 28.5112 177.2738 357 M 4.2064 8.3909 120.1613 58.6474 32.0888 178.2526 358 I 3.7501 8.2250 120.3603 64.7072 37.1553 178.2744 359 N 4.4494 8.1743 115.5778 55.7929 38.5368 177.0287 360 W 4.2725 8.5828 130.2760 60.2429 30.7214 177.9003 361 A 2.6259 8.3007 121.0555 54.5383 17.5109 179.3284 362 K 4.3261 7.7163 114.7106 58.1952 32.2356 178.5364 363 R 4.3853 7.3719 117.3314 55.0900 30.9397 176.5376 364 V 3.4416 6.6273 120.5509 61.5585 31.8110 173.4370 365 P 4.3576 0.0000 0.0000 64.4336 31.3316 176.6030 366 G 4.1673 9.0052 112.0026 46.2446 0.0000 175.1104 367 F 4.0888 8.2663 122.5192 61.1534 39.4591 177.5950 368 V 3.6650 7.7712 118.1278 64.1721 31.4445 176.4080 369 D 4.4764 7.8239 119.3312 55.0561 40.9211 176.1350 370 L 4.5115 7.2364 119.8926 53.4215 43.0592 177.2998 371 T 3.9552 8.2734 111.5377 61.5408 70.5670 175.0142 372 L 3.8325 8.4410 123.9567 58.8996 42.0491 178.7204 373 H 4.1527 8.2594 117.3675 59.6658 29.6880 176.5799 374 D 4.6790 7.9198 120.2676 56.7425 40.6074 178.8275 375 Q 3.7194 7.8280 119.0284 58.8973 28.6403 178.8944 376 V 3.6690 7.8749 119.1517 66.2408 31.5622 177.5193 377 H 4.2077 8.1823 117.4481 59.2343 29.6468 177.0098 378 L 3.9902 8.2129 120.7616 57.9255 41.6586 179.4874 379 L 4.1504 8.3440 118.6891 58.1705 41.4588 179.3003 380 E 4.2357 8.3057 117.1041 59.7650 29.5589 178.7256 381 C 4.3946 8.2377 113.7918 60.3713 28.8893 174.5867 382 A 4.7370 7.7430 121.7043 51.1788 19.4711 177.9138 383 W 4.2899 8.1620 115.7875 59.3489 28.3249 177.9645 384 L 3.5977 6.0821 118.7369 55.8660 42.0055 178.0676 385 E 3.9656 7.9957 118.5469 59.5413 29.5111 178.9307 386 I 3.6208 7.5479 119.4448 64.2225 37.1934 178.1953 387 L 4.0130 7.8754 119.8390 58.2267 41.5126 179.5986 388 M 3.9992 7.8153 118.1252 58.2195 31.8642 178.6994 389 I 3.9212 8.1427 119.2417 63.9471 38.1508 177.9693 390 G 3.8774 8.0251 106.4181 47.9705 0.0000 175.1331 391 L 3.7704 8.0679 123.3123 57.8557 41.8065 179.3217 392 V 3.5434 7.6921 116.8658 65.4657 31.7135 177.6116 393 W 4.4028 8.4007 128.1886 60.7430 30.3944 178.3955 394 R 3.5944 7.8625 116.3721 58.6597 29.7801 178.4204 395 S 4.2526 7.8300 113.5744 59.2905 62.7907 175.5077 396 M 3.9188 7.2430 121.6030 58.1176 31.9910 176.5786 397 E 4.4976 7.6724 116.0388 56.4439 30.9435 176.4079 398 H 4.8209 8.1033 111.8635 53.4429 30.0250 171.8381 399 P 4.1262 0.0000 0.0000 64.3083 31.9866 177.4250 400 G 3.9853 9.0581 110.1824 45.5038 0.0000 173.0698 401 K 4.7325 8.1635 117.8781 54.2778 35.9666 175.7757 402 L 4.2156 8.6655 122.3647 52.8582 42.4360 176.1673 403 L 4.2973 8.2155 127.9060 53.9750 40.4238 176.1301 404 F 4.1080 8.6921 123.3712 59.5648 39.5077 175.6534 405 A 4.4909 7.4373 120.7563 50.1768 21.8174 175.0300 406 P 4.0935 0.0000 0.0000 64.9922 31.4076 177.5215 407 N 4.9795 7.9420 113.0223 52.3358 37.8154 175.3658 408 L 4.6501 8.0091 122.5650 53.9121 43.4624 172.2927 409 L 4.6630 8.3075 122.7323 53.0368 43.4381 174.6427 410 L 5.2854 8.5416 126.5812 53.1311 44.7467 175.5857 411 D 5.3604 9.0985 121.0581 51.2396 42.7363 176.8780 412 R 4.0617 8.9810 118.1921 60.0560 29.9866 178.0894 413 N 4.4268 7.9620 114.0231 56.1210 38.5053 177.1827 414 Q 4.2761 8.5061 119.2232 57.9760 28.7144 178.5047 415 G 2.5728 7.4768 107.0297 46.9841 0.0000 175.3723 416 K 4.1653 7.3181 118.1970 57.9648 32.1507 178.3764 417 C 4.3350 7.7416 116.4272 60.0802 28.5959 173.3827 418 V 4.4450 6.9455 121.2775 60.1588 33.1309 174.3392 419 E 4.0352 9.1144 128.5074 57.8876 29.7351 177.1717 420 G 3.9984 8.7869 112.5513 45.4035 0.0000 174.4021 421 M 4.0437 7.8911 119.8647 57.5977 32.1007 178.0623 422 V 3.3940 7.6575 118.3227 65.9705 31.1925 177.4484 423 E 3.9683 8.1605 117.5110 59.6726 29.4013 179.2800 424 I 3.7641 7.7600 119.0089 64.4056 37.2213 178.2112 425 F 4.1486 8.5790 118.5646 60.9016 38.8548 177.2534 426 D 4.4463 8.5188 118.5826 58.0274 40.6319 179.1233 427 M 4.1118 8.3349 118.9426 58.1959 31.9488 178.8538 428 L 3.9244 7.9188 119.3499 57.6883 41.6938 179.5241 429 L 3.9477 8.6051 119.1456 57.4220 41.5398 179.3291 430 A 3.9406 7.9005 120.8093 55.4704 18.3373 179.8409 431 T 3.5564 7.7273 114.2555 66.4692 68.4339 176.6684 432 S 4.0114 7.9245 115.2895 61.5829 62.3741 176.4554 433 S 4.1174 8.3831 117.1876 61.3512 62.5041 176.1736 434 R 3.8603 8.4109 122.5952 59.4946 29.8278 178.5928 435 F 4.7163 8.6249 117.5155 60.1502 38.8186 177.8421 436 R 3.8890 8.1264 118.8475 59.7393 29.7659 178.0195 437 M 4.0163 8.0891 117.4824 58.9864 32.1859 178.2335 438 M 4.2411 7.8348 114.8998 54.8049 33.0559 175.3998 439 N 4.1519 8.5589 117.0489 53.5998 37.7772 173.8956 440 L 4.1654 7.8375 118.3033 55.9113 43.1245 176.3580 441 Q 5.0109 8.5923 122.3864 53.5231 32.8513 177.0609 442 G 3.6997 8.8870 109.9044 48.5372 0.0000 175.9093 443 E 4.0204 8.1040 120.2590 58.7854 29.3995 179.2214 444 E 4.0461 7.8468 118.3627 59.0140 29.7801 178.3275 445 F 3.6030 7.9459 121.0041 61.4941 39.1032 177.3773 446 V 3.2444 7.5055 117.2205 66.0134 31.0258 177.9194 447 C 4.0953 7.2330 116.5885 62.6457 28.0528 175.9452 448 L 3.8549 7.8764 120.8960 57.6137 41.1895 179.3722 449 K 3.7355 7.5094 119.4687 59.6464 32.0906 178.9731 450 S 4.2916 7.8454 115.4285 61.5686 62.7382 176.7608 451 I 3.6936 7.9318 122.7339 64.4048 37.0512 178.3040 452 I 3.6609 8.1431 121.0053 64.3873 36.7454 177.8442 453 L 4.1083 7.8413 119.5252 58.6045 41.9805 178.9570 454 L 4.2154 7.7255 116.1442 56.7311 41.4877 178.2092 455 N 4.5613 8.1335 117.0517 55.9839 39.1795 177.0465 456 S 4.3878 7.5971 114.2330 60.5497 61.4753 175.3659 457 G 4.3024 7.5173 108.2442 43.8865 0.0000 174.6659 458 V 3.1720 7.4537 122.2584 63.9020 31.7654 176.9308 *459 Y 4.7073 7.4470 118.7764 56.2444 37.6057 180.6506 460 T 4.8008 7.4730 108.0313 62.0349 72.6955 175.2964 461 F 4.7893 7.0592 118.7208 57.5112 38.0397 176.1611 *465 T 4.1772 8.6106 123.3836 63.1812 68.6179 176.1006 466 L 4.1676 7.8331 126.2938 59.0152 41.3447 183.4135 467 K 4.4294 7.7774 120.8098 58.5899 32.3027 183.1918 468 S 4.3322 8.0260 115.6932 61.8169 62.6007 176.2181 469 L 4.3564 7.4947 123.5671 57.4962 40.8582 182.2620 470 E 4.5776 7.3190 118.2652 58.9581 29.9433 177.8423 471 E 3.9480 8.0956 118.7555 59.0543 29.5069 179.0856 472 K 3.9884 7.9920 118.5382 59.6916 32.0959 178.9657 473 D 4.4103 7.5842 119.1381 57.7241 40.9261 178.2621 474 H 4.1138 8.0097 118.1996 59.5528 29.8457 177.2727 475 I 3.6940 8.0919 121.7166 64.6965 36.9085 178.1516 476 H 4.3010 8.3823 117.4198 58.8517 28.5494 177.8433 477 R 3.9113 8.3353 120.9164 59.3931 29.8180 178.8052 478 V 3.6260 7.6879 117.7815 65.7080 31.3731 178.0615 479 L 3.9842 7.9678 119.0085 57.7074 41.4585 179.1332 480 D 4.3243 8.2092 118.8168 57.2562 40.8025 178.7168 481 K 3.9144 7.8426 119.5264 59.5674 32.1798 178.7912 482 I 3.6783 7.9878 120.2202 64.7658 37.0584 178.4706 483 T 3.8682 8.0852 116.7077 66.7623 68.2084 176.3698 484 D 4.3650 8.6282 121.0472 57.6519 40.7856 178.6967 485 T 3.8544 8.2986 116.6329 66.8476 68.5342 176.4826 486 L 3.9628 7.8943 120.4940 57.9687 41.6895 179.6841 487 I 3.7485 7.8371 119.7287 64.4921 36.8844 178.0286 488 H 4.0949 8.8929 119.5812 59.0768 29.7353 177.1104 489 L 3.9864 8.1385 120.9719 58.4515 41.4752 179.6663 490 M 4.0963 7.9335 117.5202 58.1388 31.8101 178.8067 491 A 4.0159 8.2574 123.6901 55.6594 18.3552 180.5135 492 K 3.9813 8.1758 121.2721 59.2718 31.8098 180.1989 493 A 4.6073 7.7162 117.8049 52.3888 18.6213 178.0043 494 G 3.8667 7.9141 106.0903 45.4427 0.0000 174.2705 495 L 4.3312 7.8140 119.2399 54.1151 42.4810 177.8477 496 T 4.0795 9.3021 118.5324 63.3263 70.4671 175.8589 497 L 3.8948 8.3804 123.1146 58.1593 41.6419 179.6715 498 Q 3.9681 7.9939 118.8339 59.4126 28.8873 178.3078 499 Q 4.0488 7.8955 118.5135 58.7842 28.7696 178.5546 500 Q 3.9659 8.4606 119.7163 59.3686 28.7586 178.4744 501 H 4.4001 7.9021 116.9074 58.8429 28.6803 177.9104 502 Q 4.0091 7.9773 119.7027 58.9454 28.5483 178.8495 503 R 3.9461 7.8364 119.7114 59.1267 30.2493 178.0969 504 L 3.9537 8.4338 120.4339 58.2412 41.9177 178.9168 505 A 4.0775 8.2956 120.7056 55.0767 18.0736 179.5269 506 Q 4.0459 7.8974 115.8389 58.6256 29.0409 178.3187 507 L 4.2658 8.0496 120.5226 57.7098 41.2984 179.2996 508 L 4.1467 7.8976 118.2201 57.2032 41.6974 179.0147 509 L 4.2514 7.7725 118.6487 56.8105 41.6037 178.9707 510 I 4.0329 7.6246 119.7372 63.6674 37.0051 177.9413 511 L 3.9829 7.6129 119.1701 57.9973 41.4494 179.2802 512 S 4.0250 7.6525 111.9377 61.8790 62.1474 176.0695 513 H 4.2738 7.9196 118.2790 58.5566 28.5164 177.7297 514 I 3.6590 7.9378 121.9566 64.3863 36.9145 178.2390 515 R 3.9145 8.5798 119.9053 59.7217 29.8173 177.8482 516 H 4.0449 8.3208 117.8327 59.7361 29.8689 177.2095 517 M 4.0391 8.3350 120.6714 58.3138 31.6771 178.7445 518 S 3.9965 8.1966 113.4883 61.4097 62.4182 176.0214 519 N 4.3970 8.3776 119.3939 56.0063 38.2209 177.6460 520 K 4.0918 8.1237 120.3860 59.1854 32.1597 179.6045 521 G 3.6340 8.4965 106.5667 48.1449 0.0000 175.7291 522 M 4.2395 8.4842 121.3403 57.8357 31.8434 178.7535 523 E 3.9826 7.8638 119.2609 59.5693 29.5818 178.6698 524 H 4.0897 8.3603 118.1821 59.3053 29.9525 176.8555 525 L 4.0186 8.1021 122.0631 58.5271 41.8833 178.3689 526 Y 3.9579 8.2818 119.6467 60.5297 38.7837 177.8831 527 S 4.1434 8.4281 115.3976 61.8444 63.2547 176.0959 528 M 3.8634 8.1884 123.5218 57.6417 31.7582 178.8447 529 K 3.8058 8.0341 119.2930 59.8976 32.2298 178.6698 530 C 4.2033 7.5076 115.3157 62.3236 27.9865 175.3316 531 K 4.3028 7.6526 117.7272 55.0466 32.1970 176.2747 532 N 4.1181 8.2267 115.9503 54.7032 36.5596 174.9508 533 V 4.1166 7.5821 115.0610 62.4701 33.1211 174.9569 534 V 4.2794 7.3815 118.9918 60.5714 32.6104 173.4946 535 P 4.2282 0.0000 0.0000 63.2140 31.7137 177.5584 536 L 4.1777 7.7358 121.2809 53.4700 39.5680 175.7188 537 Y 4.5972 7.7923 121.5987 56.5380 38.9339 174.7647 538 D 4.3455 8.9019 125.1942 58.0423 40.9275 178.8639 539 L 3.8616 7.8240 119.3434 58.1676 42.2582 178.9702 540 L 3.5688 8.0353 120.0508 58.1992 41.9838 179.0000 541 L 4.0062 8.0578 118.9396 57.6013 41.2537 179.0744 542 E 3.9143 8.3810 119.5444 59.7093 29.3711 178.9346 543 M 4.0897 7.7968 117.5019 57.9668 31.6891 178.2215 544 L 4.3802 7.7929 120.8882 58.2069 42.1552 178.6673 545 D 4.4750 8.6101 119.1297 57.2546 40.5768 178.3575 546 A 4.1914 7.6466 118.4076 54.5555 18.3673 178.9553 547 H 4.3877 7.9377 114.2039 58.5778 29.1064 175.6058 548 R 4.1188 7.7243 123.0571 56.5097 29.8762 176.3584 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 305 S 8.29 4.36 0.00 3.81 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 0.00 306 L 8.69 3.78 0.00 1.69 1.68 0.92 0.54 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 0.00 307 A 9.07 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 308 L 7.63 4.11 0.00 1.80 1.76 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 309 S 8.00 4.61 0.00 3.84 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 0.00 310 L 7.51 4.41 0.00 1.77 1.57 0.91 0.76 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 0.00 311 T 9.78 4.28 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 1.24 0.00 0.00 312 A 8.31 3.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 D 7.90 4.31 0.00 2.75 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 0.00 314 Q 7.86 4.02 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 315 M 8.03 4.01 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 316 V 7.54 3.53 2.20 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 1.06 0.00 0.00 0.95 0.00 0.00 317 S 8.20 4.12 0.00 4.06 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 0.00 318 A 8.34 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 319 L 7.66 4.01 0.00 1.93 1.78 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 320 L 8.31 4.19 0.00 1.69 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 321 D 7.86 4.41 0.00 2.83 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 0.00 322 A 7.71 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 323 E 7.52 3.98 0.00 2.14 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 2.44 2.49 0.00 324 P 0.00 4.61 0.00 2.16 2.09 0.00 3.66 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 325 P 0.00 4.48 0.00 2.15 2.07 0.00 3.75 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 1.75 1.75 0.00 326 I 7.98 4.04 1.81 0.00 0.00 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 1.37 0.55 0.74 0.00 0.00 327 L 8.20 4.44 0.00 1.63 1.65 0.96 0.81 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 0.00 328 Y 8.26 4.50 0.00 2.97 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 0.00 329 S 8.57 4.74 0.00 3.85 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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 0.00 406 P 0.00 4.09 0.00 1.88 2.00 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.67 0.00 407 N 7.94 4.98 0.00 2.95 3.16 0.00 0.00 5.71 7.79 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 0.00 408 L 8.01 4.65 0.00 1.80 1.58 0.94 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 409 L 8.31 4.66 0.00 1.64 1.59 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 410 L 8.54 5.29 0.00 1.89 1.84 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 411 D 9.10 5.36 0.00 2.92 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 0.00 412 R 8.98 4.06 0.00 1.94 2.06 0.00 3.24 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 413 N 7.96 4.43 0.00 2.93 2.86 0.00 0.00 7.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 422 V 7.66 3.39 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 1.02 0.00 0.00 0.87 0.00 0.00 423 E 8.16 3.97 0.00 2.11 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 2.41 2.48 0.00 424 I 7.76 3.76 2.07 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 1.65 0.78 0.97 0.00 0.00 425 F 8.58 4.15 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 0.00 426 D 8.52 4.45 0.00 2.98 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 0.00 427 M 8.33 4.11 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 428 L 7.92 3.92 0.00 1.65 1.52 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 429 L 8.61 3.95 0.00 1.62 1.68 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 430 A 7.90 3.94 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 0.00 431 T 7.73 3.56 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 0.67 0.00 0.00 432 S 7.92 4.01 0.00 3.93 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 0.00 433 S 8.38 4.12 0.00 4.03 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 0.00 434 R 8.41 3.86 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 435 F 8.62 4.72 0.00 3.22 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 0.00 436 R 8.13 3.89 0.00 1.90 2.07 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 437 M 8.09 4.02 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.62 0.00 438 M 7.83 4.24 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.50 0.52 0.89 0.00 0.00 483 T 8.09 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 484 D 8.63 4.36 0.00 2.73 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 0.00 485 T 8.30 3.85 4.36 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 0.00 0.00 0.00 1.25 0.00 0.00 486 L 7.89 3.96 0.00 1.87 1.70 0.89 0.71 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 0.00 487 I 7.84 3.75 2.02 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 1.52 1.10 0.96 0.00 0.00 488 H 8.89 4.09 0.00 3.29 3.47 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 489 L 8.14 3.99 0.00 1.87 1.71 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 490 M 7.93 4.10 0.00 2.06 2.10 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 2.87 2.55 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2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 500 Q 8.46 3.97 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 501 H 7.90 4.40 0.00 3.25 3.33 0.00 5.64 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 0.00 502 Q 7.98 4.01 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 503 R 7.84 3.95 0.00 1.83 1.91 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 504 L 8.43 3.95 0.00 1.77 1.74 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 505 A 8.30 4.08 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 0.00 506 Q 7.90 4.05 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.76 0.00 507 L 8.05 4.27 0.00 1.86 1.72 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 508 L 7.90 4.15 0.00 1.72 1.72 0.92 0.73 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 0.00 509 L 7.77 4.25 0.00 1.69 1.73 0.94 0.73 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 0.00 510 I 7.62 4.03 2.21 0.00 0.00 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 1.51 0.68 0.86 0.00 0.00 511 L 7.61 3.98 0.00 1.96 1.74 0.92 0.73 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 0.00 512 S 7.65 4.03 0.00 3.95 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 0.00 513 H 7.92 4.27 0.00 3.42 3.29 0.00 5.87 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 0.00 514 I 7.94 3.66 2.03 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 1.40 0.66 0.89 0.00 0.00 515 R 8.58 3.91 0.00 1.85 2.10 0.00 3.11 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 516 H 8.32 4.04 0.00 3.34 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 M 8.33 4.04 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 518 S 8.20 4.00 0.00 3.72 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 N 8.38 4.40 0.00 2.69 2.81 0.00 0.00 7.04 7.80 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 0.00 520 K 8.12 4.09 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 521 G 8.50 3.63 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 0.00 522 M 8.48 4.24 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 523 E 7.86 3.98 0.00 2.16 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 2.30 2.52 0.00 524 H 8.36 4.09 0.00 3.25 3.52 0.00 5.60 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 0.00 525 L 8.10 4.02 0.00 1.97 1.82 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 8.28 3.96 0.00 3.22 3.18 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 0.00 527 S 8.43 4.14 0.00 4.14 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 0.00 528 M 8.19 3.86 0.00 2.02 2.33 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 2.64 2.70 0.00 529 K 8.03 3.81 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.38 7.81 530 C 7.51 4.20 0.00 3.06 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 0.00 531 K 7.65 4.30 0.00 1.88 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 532 N 8.23 4.12 0.00 2.74 2.83 0.00 0.00 6.68 7.69 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 0.00 533 V 7.58 4.12 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 0.75 0.00 0.00 0.97 0.00 0.00 534 V 7.38 4.28 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 0.92 0.00 0.00 0.98 0.00 0.00 535 P 0.00 4.23 0.00 1.36 1.69 0.00 3.76 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 2.05 2.03 0.00 536 L 7.74 4.18 0.00 1.66 1.49 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 537 Y 7.79 4.60 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 0.00 538 D 8.90 4.35 0.00 2.70 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 0.00 539 L 7.82 3.86 0.00 1.72 1.77 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.04 3.57 0.00 1.74 1.70 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.06 4.01 0.00 1.72 1.70 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 542 E 8.38 3.91 0.00 2.10 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 0.00 2.31 2.36 0.00 543 M 7.80 4.09 0.00 0.81 0.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.46 0.00 544 L 7.79 4.38 0.00 1.90 1.89 1.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 545 D 8.61 4.47 0.00 2.96 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 0.00 546 A 7.65 4.19 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 0.00 547 H 7.94 4.39 0.00 3.42 3.44 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 7.72 4.12 0.00 1.93 1.91 0.00 3.51 0.00 0.00 3.51 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.