NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 313 P 4.4286 0.0000 0.0000 62.4026 33.7220 177.4993 314 L 4.0184 8.1836 119.1269 56.7442 42.3305 175.8301 315 G 3.7337 7.3616 106.1163 44.1732 0.0000 172.5427 316 S 3.7260 8.3625 115.1260 58.1774 59.3336 166.2430 *318 P 4.2964 0.0000 0.0000 61.7430 34.1142 176.5175 319 Y 4.3855 8.5212 121.2739 61.9180 38.7612 178.4773 320 S 3.9546 8.2284 118.8650 63.9067 62.0572 178.2109 321 D 4.6343 8.0293 120.4919 56.8440 40.6552 178.4904 322 A 4.1363 7.9257 120.6121 55.1102 18.7788 179.5758 323 K 4.0072 8.0492 116.7639 59.4264 31.9777 180.4608 324 A 3.8201 8.0841 118.0721 52.9713 18.3476 179.0262 *326 L 4.1716 7.8681 122.3836 56.3742 43.9784 178.8293 327 D 4.2694 8.1647 117.3885 57.6528 40.9501 178.0278 328 E 3.9248 7.9393 118.7646 59.6239 29.3815 179.9601 329 V 3.4997 7.6326 117.5399 65.8549 31.6617 177.8131 330 A 4.0065 8.0445 120.5851 55.1929 18.2802 179.6555 331 K 3.9083 8.0276 116.3845 59.8594 31.6541 179.4622 332 I 3.7878 7.4072 119.5954 64.0587 36.9575 178.4349 333 R 3.9279 7.8771 119.8436 59.3936 29.8136 178.3790 334 E 3.9525 8.2413 118.2248 59.4715 29.1943 179.1609 335 L 4.1866 7.8943 117.7427 57.1895 41.6421 179.0001 336 G 3.8288 7.7238 105.9988 46.6079 0.0000 176.0371 337 V 3.6466 8.2186 113.9454 64.3809 31.9342 177.9234 338 Q 3.9707 8.9240 119.0926 59.3011 28.8573 178.1983 339 R 4.0458 8.0659 118.4682 59.6244 30.0536 179.1832 340 V 3.5684 7.8510 117.8079 66.1855 31.6523 177.8758 341 T 3.8754 8.5529 116.0280 66.9392 68.2842 176.2098 342 R 3.9217 8.3796 119.9281 59.9005 29.8679 179.1924 343 I 3.6947 7.7277 118.4715 64.2074 36.7485 178.0807 344 E 4.1396 8.4168 120.5585 58.6950 29.4282 178.4827 345 N 4.5196 8.7658 117.0099 56.2947 38.8684 177.2028 346 L 4.0350 8.1093 120.5051 58.1054 41.5662 179.3528 347 E 4.1584 7.7218 116.2876 58.8955 29.7245 177.9103 348 N 4.5187 7.7130 117.0513 56.0121 39.1858 176.6794 349 A 4.3260 8.9619 122.6078 55.3050 18.3639 179.2975 350 K 3.8430 8.8245 118.3496 59.8570 32.1517 179.1108 351 K 4.1064 8.1586 118.7172 59.3463 31.9707 179.3841 352 L 4.0780 7.8827 118.9228 57.5816 41.6829 179.1737 353 W 4.3451 8.8062 128.5260 60.2934 30.4761 177.5808 354 D 4.7371 8.3445 118.4479 57.2445 40.5301 177.6090 355 N 4.2893 7.9785 115.7878 56.5161 38.6650 176.8781 356 A 3.9194 7.8017 120.4004 55.2213 18.8943 178.9822 357 N 4.2849 8.1457 115.1770 56.4686 38.9718 176.2790 358 S 4.3001 7.9942 112.1113 59.6104 61.8632 174.7564 *360 L 3.9529 7.7127 122.6332 55.1304 43.5171 177.5144 361 E 3.9713 8.0707 118.3465 58.3109 30.3164 177.5550 362 K 4.1917 7.6506 119.3565 58.8316 31.3184 175.8917 363 G 4.0061 7.6840 103.0252 47.0014 0.0000 173.1354 364 N 4.5645 8.6064 122.6606 52.7485 38.3622 175.4436 365 I 3.7771 8.0875 128.8775 64.1190 37.4342 177.8936 366 S 4.5033 8.2083 112.0862 59.9779 62.9734 175.0624 367 G 3.9018 7.7322 108.4639 47.0431 0.0000 174.9664 368 Y 4.2295 8.0063 122.5703 59.9738 38.3875 178.3736 369 L 3.3007 7.5755 119.6134 57.3966 41.6931 179.0452 370 K 4.0238 7.9318 118.6946 59.4237 32.0053 178.6110 371 A 3.8889 8.3119 121.2403 55.0766 18.4922 179.4549 372 A 3.9558 7.3066 118.5332 54.2869 18.1739 179.3852 373 N 4.1939 7.6996 116.2428 56.8390 39.1064 176.3021 374 E 4.0019 7.7965 120.0673 59.8220 29.4097 179.0258 375 L 4.1438 7.6203 118.2606 58.7514 42.2711 177.9863 376 H 3.8858 8.1868 116.9092 59.4335 29.9406 176.7378 377 K 4.0102 8.7132 120.1683 59.4373 32.1301 181.1171 378 F 4.5052 8.4152 120.7164 58.3097 39.7988 177.1120 *380 K 4.1193 8.0965 117.8775 55.8801 33.8822 178.0098 381 E 3.9433 8.3132 118.7461 58.3759 29.5794 177.2747 382 K 4.2977 7.2521 116.6764 57.0438 32.9981 176.4371 383 N 4.0538 7.2676 112.3925 54.7390 36.2873 174.3875 384 L 4.8771 7.3057 117.4453 52.9227 45.3952 177.3877 385 K 4.6729 8.8879 122.3048 55.1823 34.2131 177.1770 386 E 3.9788 8.5540 117.7493 59.5003 29.0193 178.9995 387 D 4.3329 8.0215 117.9820 57.1361 40.8790 178.1985 388 D 4.4496 7.4510 117.4863 57.2613 41.1080 177.8998 389 L 4.1867 7.5620 116.6018 55.6858 42.4719 178.0475 390 R 3.7948 7.5597 118.6332 59.7924 29.6603 176.1668 391 P 4.1853 0.0000 0.0000 65.9304 31.4522 177.8103 392 E 4.3361 7.9620 113.4734 56.7808 29.1945 176.9027 393 L 4.4824 8.1594 117.2263 53.8726 43.5824 178.2094 394 S 4.2187 7.5740 113.0948 60.1180 63.0309 175.1472 395 D 4.3113 7.8946 120.6974 56.7495 41.1943 176.1861 396 K 4.5219 7.3426 116.6161 55.7034 33.7847 175.5007 397 T 4.8008 8.0779 114.5014 62.6697 72.2771 173.4678 398 I 4.5638 8.3689 124.5608 59.3140 39.1938 176.1384 399 S 4.2503 8.7779 121.8663 58.6864 62.0149 173.8188 400 P 4.5692 0.0000 0.0000 63.6737 30.7644 178.1431 401 K 4.2682 7.7978 120.8882 58.6209 32.6127 178.7273 402 G 3.5080 8.4936 106.3620 47.8758 0.0000 175.3813 403 Y 4.1126 8.2039 118.3313 60.4217 37.7587 178.7310 404 A 4.0857 7.5467 121.8747 55.3631 18.8961 179.7880 405 I 3.8641 7.7308 118.1584 64.1655 36.9466 178.5690 406 L 3.8884 8.3283 121.8904 58.0817 42.1022 178.7069 407 Q 4.0869 8.1690 119.5926 59.3314 29.0888 178.3496 408 S 4.2531 8.6770 116.8460 61.3318 62.8518 176.3373 409 L 4.0832 7.9872 122.8620 57.6151 41.7594 178.4151 410 W 4.2757 8.7592 128.9742 60.4446 30.7021 177.8875 411 G 3.4843 8.5185 104.7365 47.7546 0.0000 175.0271 412 A 3.9303 7.8504 122.5208 55.0641 18.4722 179.7348 413 A 4.0018 8.0491 119.0457 55.1018 18.2674 179.6962 414 S 3.7497 7.9980 112.2218 61.4688 62.1972 176.2750 415 D 4.2712 7.8606 121.3569 57.5156 40.8120 178.0640 416 Y 4.2751 8.2183 120.0980 60.9254 38.3248 178.0549 417 S 3.7912 7.7857 113.6798 60.8623 62.9674 175.2767 418 R 3.9619 7.7772 121.0863 59.5695 29.5869 178.2084 419 A 3.9710 8.0204 118.8568 55.3337 18.5607 179.3434 420 A 4.1951 7.7695 116.5939 53.4932 19.4902 178.3064 421 A 4.1801 7.3734 121.1249 51.3571 17.0252 177.1316 422 T 4.3185 7.7790 119.1203 62.1712 70.2837 175.0680 423 L 4.2407 8.0415 120.3986 56.3893 41.6454 178.4998 424 T 3.8455 7.1660 116.0576 64.7677 68.8161 173.8055 425 E 4.7239 7.3389 118.1268 54.9681 33.3855 176.1318 426 S 4.8777 8.1753 114.0365 57.7085 63.5205 173.1749 427 T 4.4547 8.4868 111.5302 63.3318 72.1119 176.9441 428 V 3.7165 7.8032 122.0320 65.0383 31.5953 177.3917 429 E 3.7990 8.6146 118.6495 59.0572 29.7005 176.9902 430 P 4.1732 0.0000 0.0000 65.6747 31.2756 178.8335 431 G 3.4594 7.8897 103.7099 47.8964 0.0000 175.3960 432 L 4.0396 7.7920 122.4117 57.6666 41.5232 180.0570 433 V 3.6958 7.6890 117.7591 65.7668 31.3323 178.3570 434 S 4.0682 7.9297 114.8771 61.3692 62.4322 176.0892 435 A 4.0048 8.2406 122.9166 55.9282 18.0896 179.3739 436 V 3.5577 7.4584 114.8072 65.3221 31.9011 177.2362 437 N 4.4077 8.2602 116.2949 56.7776 39.0010 177.0163 438 K 4.0630 8.1241 117.9368 57.2504 31.7061 178.1216 *440 S 4.3870 8.0291 113.7402 57.8265 63.9145 175.6380 441 A 3.9295 8.0275 121.6153 55.0891 18.3796 178.6278 442 F 4.2450 8.4766 118.5350 61.5041 39.5938 177.4048 443 F 3.9841 7.8697 120.9954 59.3966 39.5797 175.8022 *445 D 4.5599 8.1159 117.6165 53.6369 42.3583 175.8538 446 C 4.4697 7.5285 116.7261 59.3001 28.1431 173.7546 447 K 4.4518 7.4225 120.7549 57.4890 39.6350 175.6141 448 L 4.1001 7.8216 121.2529 54.5737 42.2378 176.9862 449 S 4.3439 8.5484 120.9696 57.4107 63.5353 173.3430 450 P 4.1802 0.0000 0.0000 64.5507 31.1939 176.5879 451 N 4.7109 7.4099 115.3226 53.7276 38.8450 174.8955 452 E 4.2618 7.5413 116.5981 55.7715 30.4293 175.5104 453 R 4.5850 7.9566 118.3502 54.0340 32.9544 174.7274 454 A 4.1111 8.5994 126.8578 52.7150 18.8842 178.1031 455 T 4.2591 7.1873 113.1792 59.1218 68.1323 172.4678 456 P 4.5368 0.0000 0.0000 62.6436 32.6104 175.2221 457 D 4.8189 8.3741 118.2609 52.0870 41.3888 174.5188 458 P 4.3461 0.0000 0.0000 65.5801 31.7674 178.0465 459 D 4.4174 8.5790 117.2767 57.1173 41.2933 176.5649 460 F 4.4443 7.9812 118.6678 58.0557 40.0122 174.2466 461 K 3.9826 6.4845 121.8562 55.6556 34.7373 174.4281 462 V 4.0271 8.0285 125.5975 60.5085 33.5456 175.4394 463 G 3.6011 8.3243 114.6310 45.2559 0.0000 174.0139 464 K 3.7774 8.9899 126.9493 59.7846 31.7133 178.3634 465 S 4.0930 7.9932 112.8839 61.6114 62.7316 176.3603 466 K 4.1016 8.0346 122.3018 58.9283 31.6960 179.0845 467 I 3.7468 7.7776 119.5242 64.7100 36.8279 177.9789 468 L 3.9166 7.7634 118.8997 58.1250 41.2476 179.9060 469 V 3.8075 7.3863 116.8706 65.8228 31.6025 178.2154 470 G 3.7778 8.3744 105.8527 47.7906 0.0000 175.7508 471 I 3.7822 7.0479 121.8664 62.1105 38.1309 177.4209 *473 Q 4.1918 7.9461 122.1240 56.2662 30.2312 176.8538 474 F 4.1826 8.9184 119.5877 61.6294 39.2181 177.0735 475 I 3.3431 8.1216 118.5241 63.8780 36.6157 178.2431 476 K 4.0642 7.7190 120.1740 59.5684 32.1212 178.1648 477 D 4.2615 7.7109 115.8103 55.7240 40.8720 177.1612 478 V 4.1415 6.9173 109.9186 60.6175 33.3085 175.7169 479 A 4.2466 7.1149 123.1876 50.8336 19.4481 176.9544 480 D 4.4377 8.4870 121.0217 54.0143 41.7469 176.5224 481 P 4.7206 0.0000 0.0000 62.5458 30.4946 177.6982 482 T 4.5264 8.3921 104.7180 62.4206 70.4911 172.9936 483 S 4.3619 8.1387 118.1458 57.9783 62.8890 172.8279 484 K 5.4998 8.4503 126.1970 53.9152 34.4683 175.6168 485 I 4.1651 8.3938 124.6703 60.3378 37.4180 174.7253 486 W 3.9073 8.8566 135.0000 58.4921 30.1831 173.7988 *488 H 4.4442 7.5400 112.6790 55.3121 29.5606 171.6616 489 N 4.9273 8.5874 118.4267 53.1904 39.1850 175.1580 490 T 3.9397 8.7655 126.4254 67.0741 68.7610 175.7440 491 K 3.9934 7.9269 118.2780 59.8274 32.4075 178.6653 492 A 4.2448 7.9865 119.7087 55.1094 18.5322 180.1443 493 L 4.1289 7.9486 116.9408 56.0127 42.5894 178.3839 *495 N 4.5266 8.0911 115.7446 53.4815 40.5227 175.1593 496 H 3.9308 8.3640 117.1199 59.9951 29.5633 176.7919 497 K 4.2032 8.1990 120.1707 59.9510 32.1397 178.9178 498 I 3.8572 7.7596 119.7909 63.4744 37.1426 177.5401 499 A 4.1800 8.6204 122.4421 54.8045 18.0693 179.4217 500 A 3.9301 8.2746 117.8926 55.6881 18.7513 179.7895 501 I 3.8361 7.9859 118.1422 64.1686 36.6340 178.7932 502 Q 4.3728 7.8066 120.2481 58.1723 28.8908 177.9730 503 K 3.9045 8.2921 120.8076 59.4550 31.9680 178.3173 504 L 4.2812 7.5928 117.1680 56.7372 41.5654 178.9417 505 E 3.9672 8.5825 119.4120 59.3268 29.2732 179.1731 506 R 4.1122 7.9552 115.9668 57.7282 30.3300 177.2116 507 S 4.4743 7.0215 113.4919 60.9526 63.9968 175.1211 508 N 3.9644 7.4569 115.0763 55.3365 36.4882 173.0157 509 N 4.9121 8.3530 116.1749 53.3349 40.0251 174.6473 510 V 4.1386 7.8803 118.2134 61.2718 31.8543 174.2269 511 N 5.0617 8.8628 124.8940 50.2597 41.7346 174.4679 512 D 4.3322 8.7525 119.8504 57.8446 40.4632 179.1021 513 E 4.1207 8.3036 117.9400 58.7027 29.8586 178.6358 514 T 4.1051 7.9307 109.6252 64.6854 69.1574 176.6300 515 L 3.9391 8.2348 122.1671 57.3773 41.5967 179.0726 516 E 3.8994 7.9791 118.6184 59.6060 29.2230 179.7171 517 S 4.1547 7.3705 111.9541 60.9712 62.6277 175.9179 518 V 3.7635 7.7731 120.2209 65.6607 31.6003 177.7885 519 L 4.1833 7.7858 118.6300 57.5166 41.3823 178.8153 520 S 4.5365 7.5837 112.1139 58.1856 64.5111 173.5559 521 S 4.7444 7.4377 116.0280 57.5937 64.2576 173.4983 522 K 4.4067 8.6620 124.4898 55.2004 33.4779 176.9273 523 G 3.7834 7.5312 106.2018 46.5926 0.0000 174.0631 524 E 4.7821 7.7837 112.0816 56.7472 31.4012 177.4156 525 N 4.8190 7.6269 120.5012 51.5922 38.0135 174.3257 526 L 4.1749 8.2657 123.5350 58.0507 42.0063 178.7979 527 S 4.1461 8.0793 112.8305 61.3745 62.9194 175.6429 528 E 4.5453 8.2758 117.6051 56.2538 29.9369 176.6535 529 Y 4.4596 7.9965 119.5418 61.4657 38.0357 176.6864 530 L 3.8598 8.0719 117.6374 54.7233 41.7706 177.6241 531 S 3.6809 7.4809 113.6470 59.7506 60.9821 171.7670 532 Y 4.6237 6.9766 120.7086 55.0595 37.8613 176.0071 533 K 3.9584 7.5770 126.3044 58.5747 32.8966 176.3401 534 Y 4.4038 6.4110 113.1328 57.0690 38.1645 175.3564 535 A 4.8009 7.9898 123.6088 52.6392 19.0042 177.2520 536 T 4.4187 8.1023 114.3395 61.7562 70.0274 173.0649 537 K 4.9565 8.7055 122.4604 56.3575 33.9108 175.4228 538 D 4.7049 7.3160 122.9927 53.3518 39.4202 176.5844 539 E 4.0612 9.0919 114.4761 58.8718 31.2341 179.0995 540 G 3.8993 8.4054 109.3756 45.3813 0.0000 176.2285 541 R 4.7291 8.6990 119.2934 53.7479 33.8478 176.2081 542 E 4.5564 8.3504 122.9218 57.4949 30.2553 174.7515 543 H 4.7096 7.7187 118.2803 58.1219 31.7521 174.5688 544 R 4.6512 8.4056 124.7625 57.3118 31.4699 174.3551 545 Y 4.8180 7.1664 116.2360 56.4772 38.9328 174.3862 546 T 3.9975 8.1932 115.2022 63.7247 70.1758 175.0486 547 A 4.1930 8.5822 125.6273 52.0368 19.4409 176.9207 548 S 5.0902 8.5166 117.7327 57.7456 64.7779 173.5662 549 T 4.1979 8.4372 109.7343 63.3163 69.4187 174.8783 550 E 3.8830 7.9688 121.2018 56.3424 29.2637 176.2996 *554 N 4.5484 8.4629 122.6054 52.7826 40.1226 174.3215 555 V 4.3250 7.8010 118.0718 60.6641 32.8299 175.6497 556 K 4.1582 8.0744 126.6813 56.4424 33.4052 176.2925 557 E 3.1279 8.8577 111.2421 59.4246 29.8391 180.8900 558 K 4.5180 7.4609 120.1460 58.6203 34.7823 176.1320 559 Y 4.6599 6.7750 117.0498 56.8791 35.4381 173.5989 560 Q 4.4075 7.1420 117.3204 57.1616 32.5185 176.7613 561 Q 4.0821 7.6707 127.0551 55.5812 27.4980 175.0826 *563 R 3.9753 8.0394 121.1634 57.4633 32.3506 176.4055 564 G 3.7845 8.7365 111.9819 46.2587 0.0000 175.6435 565 D 3.9332 7.8802 120.2196 56.3831 41.1308 177.9529 566 A 4.8751 8.3676 126.3523 54.9713 18.6164 179.6869 567 L 3.7376 8.1621 119.2653 58.4487 42.2208 179.2374 568 K 3.6269 7.8058 117.8970 59.6677 31.8596 179.4758 569 T 3.6433 7.3005 115.8690 66.1774 68.2713 176.3938 570 E 3.9083 8.2335 121.5819 59.4554 29.4298 178.6540 571 I 3.3219 7.3787 119.2778 64.4005 37.0369 178.0267 572 L 3.6128 7.9357 121.0065 57.7605 41.9214 178.9134 573 A 4.1224 7.9465 121.0345 55.2410 18.3603 179.3063 574 D 4.5448 8.2175 116.6560 57.0213 41.0169 178.8615 575 F 4.2373 8.2995 118.4846 60.3136 38.8205 177.4586 576 K 4.0502 8.0872 118.2480 59.8164 32.0848 178.2331 577 D 4.5429 8.1828 118.5831 57.1254 41.0239 178.3543 578 K 3.8370 8.1934 119.9807 59.8223 32.0895 178.4744 579 L 4.0911 8.6831 120.1319 57.3474 41.8024 177.9375 580 A 4.2577 8.0517 119.2129 53.1505 18.8586 177.5888 581 E 4.1489 7.7935 115.1482 56.6720 29.8471 177.1150 582 A 4.2435 7.3366 122.4977 52.4309 18.9036 177.7055 583 T 4.6159 8.0484 116.0982 63.3967 71.1712 173.5548 584 D 4.5674 7.4139 118.8409 51.7326 41.6612 174.7071 585 E 3.8904 8.9025 117.1729 60.3276 29.4963 178.9203 586 Q 3.9459 8.0492 118.9647 59.1080 29.3382 177.6228 587 S 4.0864 8.2608 114.2791 61.5127 62.2470 176.1373 588 L 3.9806 7.7684 122.5042 58.0457 41.7776 178.8709 589 K 3.8978 8.0762 118.4883 59.4053 31.9267 179.1736 590 Q 3.9369 8.5214 120.1338 59.3699 29.1458 178.1363 591 I 3.7833 7.5835 120.6097 64.3086 37.1087 178.8793 592 V 3.7930 8.1457 120.0749 64.7694 31.2142 178.3714 593 A 4.0929 7.9259 124.0537 55.3681 18.0494 180.1003 594 E 3.9707 8.4992 116.5254 60.9210 30.0117 181.9090 595 L 4.1343 7.7443 118.7286 57.8249 41.6072 179.4352 596 K 3.3187 7.8445 117.0655 58.9617 31.9411 178.4484 597 S 4.5006 7.3426 112.3955 57.9260 63.1707 174.1029 598 K 4.3551 8.1248 124.5865 55.9415 33.3835 175.5848 599 D 4.8121 8.4764 117.8927 55.4745 42.1588 178.2206 600 E 4.2642 8.2851 113.6531 57.4341 30.0192 177.3152 601 Y 4.0415 8.0439 121.6223 60.5918 39.1660 177.5407 602 R 4.0932 8.2333 118.1294 59.0767 29.8611 178.9923 603 I 3.7697 7.5355 118.8685 64.1132 37.2019 177.8853 604 L 3.8876 7.3649 118.7113 57.5454 41.5968 178.9080 605 A 4.1359 7.3039 117.0207 51.9345 18.5179 176.8283 606 K 4.0506 7.0453 118.7215 54.7200 32.6265 176.7861 607 G 3.9430 8.4947 115.4760 46.3180 0.0000 172.4464 608 Q 4.7875 7.9330 112.1477 53.3413 31.3531 175.2300 609 G 4.4087 7.6179 104.0820 41.9490 0.0000 173.0825 610 L 4.1086 8.5897 120.2683 58.1143 41.4625 179.7741 611 T 3.8761 7.8753 114.7627 67.2120 68.8046 176.4669 612 T 3.9745 7.9454 110.1761 63.8580 68.7080 175.4191 613 Q 4.1519 7.5636 122.3009 57.5794 29.5297 176.8837 614 L 4.5938 7.8987 117.0814 54.9459 41.0271 177.6145 615 L 4.5918 7.9246 116.9705 53.3892 45.6051 176.4844 616 G 3.9958 8.1187 105.8106 45.9826 0.0000 173.7447 617 L 3.9330 7.4502 118.5777 53.7911 42.0742 176.9382 618 K 3.7830 8.6086 123.6587 56.8396 31.8667 176.7149 619 T 4.0017 8.3939 120.6928 62.6062 69.1642 174.2444 620 S 4.3073 8.6151 119.7955 61.3155 62.8582 177.1402 621 S 4.0544 8.1839 117.7737 61.5408 62.5770 176.5103 622 V 3.5363 7.6433 120.2136 66.2239 31.1189 177.5421 623 S 4.1097 7.9648 111.3349 61.5851 62.4940 176.0589 624 S 4.2414 8.5890 115.8856 61.5297 62.0992 175.6820 625 F 4.2112 8.6964 122.4208 61.6003 39.2739 176.7451 626 E 3.9562 8.6216 118.4900 58.7563 29.3554 179.5804 627 K 4.0415 7.8449 120.7651 56.2200 31.9568 178.8961 *629 V 3.8384 7.9643 118.4198 62.5010 33.4815 176.4540 630 E 3.8986 7.9461 119.8063 59.5704 29.4755 178.7365 631 E 4.0208 7.9537 118.1001 59.0608 29.3211 179.3144 632 T 3.9948 7.5811 115.8094 66.0663 68.7075 176.8030 633 R 3.8278 8.4514 121.0033 59.5173 29.9652 178.2853 634 E 3.8942 8.0365 117.7205 59.2261 29.6792 178.4015 635 S 4.2217 7.7624 111.8802 60.5519 62.4490 175.5896 636 I 4.0851 7.1300 121.7335 63.3523 37.9820 178.0805 637 K 4.4379 8.0495 119.3454 55.8265 31.0836 177.3613 638 S 4.1749 7.6446 119.6965 59.0393 63.9597 174.5910 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 313 P 0.00 4.43 0.00 2.06 2.11 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 314 L 8.18 4.02 0.00 1.73 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 315 G 7.36 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 0.00 0.00 0.00 316 S 8.36 3.73 0.00 4.01 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 0.00 *318 P 0.00 4.30 0.00 2.37 2.05 0.00 3.83 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 2.03 2.17 0.00 319 Y 8.52 4.39 0.00 2.95 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 0.00 320 S 8.23 3.95 0.00 3.77 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 0.00 321 D 8.03 4.63 0.00 2.64 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 7.93 4.14 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 0.00 323 K 8.05 4.01 0.00 1.64 1.66 0.00 1.29 0.00 0.00 1.35 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.06 0.55 7.81 324 A 8.08 3.82 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 *326 L 7.87 4.17 0.00 2.00 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 327 D 8.16 4.27 0.00 2.77 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 0.00 328 E 7.94 3.92 0.00 1.96 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 2.32 2.48 0.00 329 V 7.63 3.50 2.31 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 1.01 0.00 0.00 0.93 0.00 0.00 330 A 8.04 4.01 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 0.00 331 K 8.03 3.91 0.00 1.93 1.87 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.69 7.81 332 I 7.41 3.79 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.91 0.00 0.00 333 R 7.88 3.93 0.00 1.90 2.16 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 334 E 8.24 3.95 0.00 2.23 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 2.33 2.57 0.00 335 L 7.89 4.19 0.00 1.72 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 336 G 7.72 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 0.00 337 V 8.22 3.65 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 0.83 0.00 0.00 1.04 0.00 0.00 338 Q 8.92 3.97 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 339 R 8.07 4.05 0.00 2.13 2.04 0.00 3.31 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 340 V 7.85 3.57 2.24 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 1.07 0.00 0.00 1.00 0.00 0.00 341 T 8.55 3.88 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 1.30 0.00 0.00 342 R 8.38 3.92 0.00 1.90 2.00 0.00 3.29 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 343 I 7.73 3.69 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.92 0.00 0.00 344 E 8.42 4.14 0.00 2.27 2.14 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 2.34 2.37 0.00 345 N 8.77 4.52 0.00 2.95 2.91 0.00 0.00 6.92 6.82 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 0.00 346 L 8.11 4.03 0.00 1.70 1.75 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 347 E 7.72 4.16 0.00 2.12 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 0.00 2.34 2.39 0.00 348 N 7.71 4.52 0.00 3.01 3.04 0.00 0.00 6.93 7.91 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 0.00 349 A 8.96 4.33 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 350 K 8.82 3.84 0.00 1.93 2.06 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.42 7.81 351 K 8.16 4.11 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.68 7.81 352 L 7.88 4.08 0.00 2.04 1.85 0.85 0.89 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 0.00 353 W 8.81 4.35 0.00 3.49 3.34 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 0.00 354 D 8.34 4.74 0.00 3.20 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 0.00 355 N 7.98 4.29 0.00 2.98 2.90 0.00 0.00 7.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 356 A 7.80 3.92 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 0.00 357 N 8.15 4.28 0.00 2.47 3.03 0.00 0.00 6.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 358 S 7.99 4.30 0.00 4.06 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 *360 L 7.71 3.95 0.00 0.90 1.42 0.22 0.65 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 0.00 361 E 8.07 3.97 0.00 2.18 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 2.32 2.26 0.00 362 K 7.65 4.19 0.00 1.99 1.93 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.36 7.81 363 G 7.68 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 0.00 0.00 0.00 364 N 8.61 4.56 0.00 2.77 2.76 0.00 0.00 7.19 6.51 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 0.00 365 I 8.09 3.78 1.90 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 1.86 1.05 0.95 0.00 0.00 366 S 8.21 4.50 0.00 4.09 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 0.00 367 G 7.73 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 368 Y 8.01 4.23 0.00 3.01 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 0.00 369 L 7.58 3.30 0.00 1.71 0.99 0.15 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 370 K 7.93 4.02 0.00 2.02 1.96 0.00 1.81 0.00 0.00 1.99 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.62 7.81 371 A 8.31 3.89 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 0.00 372 A 7.31 3.96 0.82 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 0.00 373 N 7.70 4.19 0.00 2.95 3.05 0.00 0.00 6.99 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 0.00 374 E 7.80 4.00 0.00 2.27 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 2.37 2.51 0.00 375 L 7.62 4.14 0.00 1.83 2.10 1.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 376 H 8.19 3.89 0.00 3.22 3.44 0.00 6.02 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 0.00 377 K 8.71 4.01 0.00 2.10 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 378 F 8.42 4.51 0.00 3.13 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *380 K 8.10 4.12 0.00 1.99 1.75 0.00 1.34 0.00 0.00 1.20 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.17 7.81 381 E 8.31 3.94 0.00 1.91 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 0.00 2.32 2.30 0.00 382 K 7.25 4.30 0.00 1.37 1.58 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.73 1.02 7.81 383 N 7.27 4.05 0.00 2.78 2.88 0.00 0.00 6.63 7.33 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 0.00 384 L 7.31 4.88 0.00 1.57 1.55 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 385 K 8.89 4.67 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.57 7.81 386 E 8.55 3.98 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 387 D 8.02 4.33 0.00 2.61 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 0.00 388 D 7.45 4.45 0.00 2.84 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 0.00 389 L 7.56 4.19 0.00 1.62 1.60 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 390 R 7.56 3.79 0.00 2.02 1.80 0.00 3.10 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 391 P 0.00 4.19 0.00 2.16 2.06 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 392 E 7.96 4.34 0.00 1.86 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 2.26 2.24 0.00 393 L 8.16 4.48 0.00 1.38 1.00 -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 394 S 7.57 4.22 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 395 D 7.89 4.31 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 396 K 7.34 4.52 0.00 1.77 1.89 0.00 1.80 0.00 0.00 2.05 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.28 7.81 397 T 8.08 4.80 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 398 I 8.37 4.56 1.96 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 1.03 0.00 0.00 399 S 8.78 4.25 0.00 4.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 400 P 0.00 4.57 0.00 2.15 2.18 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 401 K 7.80 4.27 0.00 1.57 1.64 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.50 0.97 7.81 402 G 8.49 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 Y 8.20 4.11 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 A 7.55 4.09 1.71 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 0.00 0.00 405 I 7.73 3.86 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 1.61 1.45 0.82 0.00 0.00 406 L 8.33 3.89 0.00 1.76 1.60 0.45 0.53 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 0.00 407 Q 8.17 4.09 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 408 S 8.68 4.25 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 L 7.99 4.08 0.00 1.99 1.86 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 410 W 8.76 4.28 0.00 3.54 3.46 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 0.00 411 G 8.52 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 0.00 0.00 0.00 412 A 7.85 3.93 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 0.00 413 A 8.05 4.00 1.37 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 0.00 414 S 8.00 3.75 0.00 2.89 3.40 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 0.00 415 D 7.86 4.27 0.00 2.85 2.66 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 0.00 424 T 7.17 3.85 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 -0.06 0.00 0.00 425 E 7.34 4.72 0.00 2.18 1.91 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 2.27 2.26 0.00 426 S 8.18 4.88 0.00 3.91 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 0.00 427 T 8.49 4.45 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 428 V 7.80 3.72 2.23 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 0.99 0.00 0.00 1.05 0.00 0.00 429 E 8.61 3.80 0.00 2.23 1.84 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 2.19 2.36 0.00 430 P 0.00 4.17 0.00 2.13 2.04 0.00 3.60 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 2.07 2.19 0.00 431 G 7.89 3.46 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 0.00 432 L 7.79 4.04 0.00 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0.00 0.00 *495 N 8.09 4.53 0.00 3.14 2.86 0.00 0.00 6.67 7.89 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 0.00 496 H 8.36 3.93 0.00 3.40 3.60 0.00 5.66 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 0.00 497 K 8.20 4.20 0.00 1.83 1.88 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.83 7.81 498 I 7.76 3.86 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.91 0.00 0.00 499 A 8.62 4.18 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 0.00 500 A 8.27 3.93 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 0.00 501 I 7.99 3.84 1.93 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 1.47 1.34 0.87 0.00 0.00 502 Q 7.81 4.37 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.38 0.00 503 K 8.29 3.90 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 0.00 512 D 8.75 4.33 0.00 2.77 2.79 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 0.00 0.00 0.00 0.00 513 E 8.30 4.12 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 514 T 7.93 4.11 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 1.20 0.00 0.00 515 L 8.23 3.94 0.00 1.78 1.69 0.88 1.14 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 0.00 516 E 7.98 3.90 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 517 S 7.37 4.15 0.00 4.09 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 0.00 518 V 7.77 3.76 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 0.89 0.00 0.00 0.96 0.00 0.00 519 L 7.79 4.18 0.00 1.77 1.90 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 520 S 7.58 4.54 0.00 3.98 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 0.00 521 S 7.44 4.74 0.00 4.00 3.89 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 K 8.66 4.41 0.00 1.35 1.65 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.20 7.81 523 G 7.53 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 E 7.78 4.78 0.00 2.03 1.39 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 2.14 2.07 0.00 525 N 7.63 4.82 0.00 2.80 2.80 0.00 0.00 7.12 6.66 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 0.00 526 L 8.27 4.17 0.00 1.81 1.91 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 527 S 8.08 4.15 0.00 3.86 3.96 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 0.00 528 E 8.28 4.55 0.00 1.98 2.32 0.00 0.00 0.00 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 2.32 0.00 529 Y 8.00 4.46 0.00 3.13 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 0.00 530 L 8.07 3.86 0.00 1.91 1.71 1.41 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 531 S 7.48 3.68 0.00 3.85 3.96 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 0.00 532 Y 6.98 4.62 0.00 2.92 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 0.00 533 K 7.58 3.96 0.00 1.39 1.01 0.00 1.51 0.00 0.00 1.05 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.43 1.12 7.81 534 Y 6.41 4.40 0.00 2.46 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 0.00 535 A 7.99 4.80 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 T 8.10 4.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 537 K 8.71 4.96 0.00 1.88 1.85 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 538 D 7.32 4.70 0.00 2.81 2.14 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 0.00 539 E 9.09 4.06 0.00 2.06 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 2.32 2.27 0.00 540 G 8.41 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 541 R 8.70 4.73 0.00 1.88 1.77 0.00 2.88 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 542 E 8.35 4.56 0.00 1.95 1.80 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 2.31 2.23 0.00 543 H 7.72 4.71 0.00 3.40 3.11 0.00 5.23 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 R 8.41 4.65 0.00 1.72 2.03 0.00 3.27 0.00 0.00 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0.00 0.00 1.13 0.00 0.00 1.05 0.00 0.00 556 K 8.07 4.16 0.00 1.88 1.77 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.04 7.81 557 E 8.86 3.13 0.00 2.10 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 2.28 2.22 0.00 558 K 7.46 4.52 0.00 1.48 1.25 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.50 7.81 559 Y 6.77 4.66 0.00 3.06 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 Q 7.14 4.41 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.33 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 561 Q 7.67 4.08 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 *563 R 8.04 3.98 0.00 1.77 1.86 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 564 G 8.74 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.88 0.00 0.00 0.00 0.00 1.46 1.50 7.81 590 Q 8.52 3.94 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 591 I 7.58 3.78 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.90 0.00 0.00 592 V 8.15 3.79 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 0.91 0.00 0.00 1.03 0.00 0.00 593 A 7.93 4.09 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 0.00 594 E 8.50 3.97 0.00 2.03 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 2.22 0.00 595 L 7.74 4.13 0.00 1.92 1.53 0.99 -0.02 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 0.00 596 K 7.84 3.32 0.00 1.72 1.55 0.00 1.44 0.00 0.00 1.32 0.00 0.00 3.46 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.76 1.61 7.81 597 S 7.34 4.50 0.00 3.76 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 0.00 598 K 8.12 4.36 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.55 7.81 599 D 8.48 4.81 0.00 2.78 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 0.00 600 E 8.29 4.26 0.00 2.07 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 0.00 2.49 2.55 0.00 601 Y 8.04 4.04 0.00 3.21 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 0.00 602 R 8.23 4.09 0.00 1.95 2.03 0.00 3.22 0.00 0.00 3.39 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 603 I 7.54 3.77 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.42 0.71 0.00 0.00 604 L 7.36 3.89 0.00 1.19 1.34 0.10 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 605 A 7.30 4.14 1.14 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 0.00 0.00 606 K 7.05 4.05 0.00 1.87 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.32 7.81 607 G 8.49 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 0.00 0.00 0.00 608 Q 7.93 4.79 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 609 G 7.62 4.41 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 0.00 610 L 8.59 4.11 0.00 1.74 1.76 0.95 0.83 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 0.00 611 T 7.88 3.88 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 1.21 0.00 0.00 612 T 7.95 3.97 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 1.18 0.00 0.00 613 Q 7.56 4.15 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 614 L 7.90 4.59 0.00 1.63 1.65 0.94 0.79 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 0.00 615 L 7.92 4.59 0.00 1.67 1.62 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 616 G 8.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 L 7.45 3.93 0.00 1.60 1.62 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 618 K 8.61 3.78 0.00 1.73 1.80 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 619 T 8.39 4.00 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 1.25 0.00 0.00 620 S 8.62 4.31 0.00 4.10 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 0.00 621 S 8.18 4.05 0.00 3.84 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 0.00 622 V 7.64 3.54 2.22 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 1.21 0.00 0.00 0.69 0.00 0.00 623 S 7.96 4.11 0.00 4.12 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 0.00 624 S 8.59 4.24 0.00 4.18 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 0.00 625 F 8.70 4.21 0.00 2.85 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 E 8.62 3.96 0.00 2.17 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 0.00 2.45 2.65 0.00 627 K 7.84 4.04 0.00 1.81 1.86 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 *629 V 7.96 3.84 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 0.62 0.00 0.00 0.37 0.00 0.00 630 E 7.95 3.90 0.00 2.19 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 2.28 2.37 0.00 631 E 7.95 4.02 0.00 1.93 1.92 0.00 0.00 0.00 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 2.55 0.00 632 T 7.58 3.99 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 1.25 0.00 0.00 633 R 8.45 3.83 0.00 1.78 2.04 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 634 E 8.04 3.89 0.00 1.97 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 0.00 2.30 2.34 0.00 635 S 7.76 4.22 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 I 7.13 4.09 2.02 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 1.52 0.86 0.91 0.00 0.00 637 K 8.05 4.44 0.00 1.71 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 638 S 7.64 4.17 0.00 3.80 3.68 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.