NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 299 M 4.4732 8.2893 120.3591 54.7885 33.5025 175.8294 300 P 4.2788 0.0000 0.0000 61.4443 32.7631 172.6331 301 V 3.5651 9.3281 123.2401 65.7824 32.2565 178.9475 302 D 4.3657 8.0937 118.4547 57.6310 40.5546 178.8817 303 R 4.0080 7.5129 116.7476 58.9546 30.2140 179.1735 304 I 3.8246 7.5270 119.4666 64.3174 37.3600 177.5633 305 L 3.9295 7.9381 121.1427 58.5802 41.7620 178.7881 306 E 3.9751 8.3343 118.6932 59.1157 29.3056 178.6780 307 A 4.0385 7.8843 120.2586 55.0222 18.6195 179.2003 308 E 4.1880 8.2777 116.5872 59.8068 29.5017 179.2287 309 L 3.9496 7.8529 117.3565 57.9624 41.8097 179.2662 310 A 4.1461 8.0146 119.4768 55.8158 18.6876 176.9653 311 V 4.5714 7.8664 117.6462 60.7748 33.9231 172.6994 *335 P 4.3442 0.0000 0.0000 62.9420 33.2809 178.8020 336 V 3.3778 7.4585 118.0042 66.0394 31.4389 177.9740 337 T 3.8150 7.6580 115.1037 66.6115 68.3215 176.3345 338 N 4.3423 7.9451 118.0057 56.1413 38.5997 177.4631 339 I 3.6133 7.9527 121.5458 64.6544 37.1532 178.3266 340 C 4.2139 8.1837 117.5838 62.9401 27.8259 176.2657 341 Q 3.9514 8.1122 119.2398 58.4766 28.1904 178.6121 342 A 3.9088 7.9048 121.8352 55.1329 18.2742 179.3235 343 A 4.0327 8.0995 118.2444 55.5410 18.6976 179.1246 344 D 4.4519 8.2598 117.3640 57.6379 41.0931 178.7661 345 K 3.7831 8.2578 119.9358 60.1764 31.8198 178.6842 346 Q 4.1563 8.1469 117.8446 58.8032 28.6091 178.6096 347 L 4.1844 8.1931 120.3322 57.4429 41.4443 178.8826 348 F 4.2036 7.7915 119.4225 60.6423 39.4598 175.6934 349 T 4.6602 7.5829 104.8651 60.4229 69.8394 175.4214 350 L 4.1005 8.0846 126.5432 58.6770 41.8918 179.1307 351 V 3.6468 7.8224 117.8437 65.8601 31.2657 177.5995 352 E 3.9566 8.1369 117.0290 59.1940 29.6949 178.5676 353 W 4.2515 8.1758 127.7454 60.4268 30.6788 177.6872 354 A 2.7275 8.3012 123.0792 55.3884 17.5500 180.3403 *355 K 3.9286 8.0301 120.6508 59.3779 31.7543 180.2610 356 R 4.4277 7.2746 114.6214 56.6002 30.8036 176.6467 357 I 3.7064 7.6731 122.0225 61.4995 37.0196 176.5304 358 P 3.5700 0.0000 0.0000 63.3810 32.9780 175.5347 359 H 4.8599 8.0775 111.0568 55.5779 30.2302 176.0278 360 F 4.3816 8.6276 125.0010 61.5583 39.2749 177.6815 361 S 4.1234 8.1376 115.1927 61.0208 62.7474 175.3410 362 S 4.3001 7.6834 113.3745 59.5815 63.3538 174.8185 363 L 4.0956 7.1921 120.9560 53.4707 42.1339 175.5433 364 P 4.2237 0.0000 0.0000 63.0722 33.1352 177.4693 365 L 3.9063 8.5399 121.0736 58.3641 41.7132 179.7446 366 D 4.4029 8.0293 118.0372 57.5287 40.8187 178.4407 367 D 4.4653 7.9086 118.8071 57.0140 40.8388 178.7618 368 Q 3.9742 7.8786 118.9559 58.9727 28.6990 178.9581 369 V 3.7124 7.8317 113.3920 64.5285 31.7425 178.5150 370 I 3.7806 7.7037 119.1951 64.5951 37.0285 178.4527 371 L 4.1548 8.1833 119.5417 57.9410 41.5100 179.6614 372 L 4.1536 8.2305 119.0106 57.7505 41.3305 179.4859 373 R 4.0619 8.4429 118.1730 59.4823 30.1117 178.1280 374 A 4.4000 8.1414 119.4283 53.8827 18.7851 178.7211 375 G 3.9501 8.1193 102.1601 43.9584 0.0000 175.1232 376 W 4.4301 8.2630 120.4071 60.0280 27.8997 177.9992 377 N 3.6468 6.0019 117.1511 54.6418 36.7876 176.9895 378 E 3.6766 7.5292 120.3374 59.0541 29.6121 178.6933 379 L 3.7273 7.8610 119.2074 58.0213 41.6567 179.6990 380 L 3.8817 7.8240 118.3319 57.9745 41.6253 179.7330 381 I 2.8491 8.1256 119.6728 63.9754 36.9527 178.3328 382 A 3.7592 7.7007 121.7437 54.6214 18.1930 179.6324 383 S 3.8350 7.6416 111.9945 61.5545 62.3555 176.5054 384 F 4.3279 7.9242 116.1902 59.7776 37.8973 177.3570 385 S 4.2537 6.9824 115.3461 61.6718 62.6518 175.8774 386 H 4.0310 7.9026 120.5698 59.4960 29.4426 177.1440 387 R 4.0037 7.9388 118.6254 58.9902 30.0172 177.4303 388 S 4.6914 7.9124 113.4551 58.3944 62.8282 175.6817 389 I 3.7356 7.7630 124.7089 63.8681 36.9594 176.1399 390 D 4.9220 7.9860 118.3525 53.7842 41.5170 175.2405 391 V 4.2900 7.4217 116.9559 60.0230 33.2526 174.9875 392 R 3.8183 8.7543 127.3626 57.5420 30.5974 176.4621 393 D 4.3563 8.9211 128.0960 54.0269 38.2225 171.7411 394 G 4.6474 7.1033 104.9788 46.0586 0.0000 172.1223 395 I 4.6751 8.7576 119.6587 59.0049 41.2888 174.6749 396 L 4.6482 9.8265 131.2861 53.0194 42.4901 176.1167 397 L 4.0442 8.4652 126.5935 54.5045 42.1540 178.6465 398 A 4.1714 8.4172 122.6158 54.2258 18.3860 178.2818 399 T 4.1548 7.6987 109.1028 61.8557 67.9300 174.1508 400 G 4.0551 8.0435 108.1943 46.0812 0.0000 174.2415 401 L 4.2648 7.5536 118.2611 54.9967 43.0904 175.9226 402 H 5.3805 8.5159 117.0902 54.4644 31.8951 174.6129 403 V 4.2825 8.2138 119.1802 62.1308 34.6939 173.5201 404 H 5.3083 8.6113 124.6641 54.2537 31.3165 176.1399 405 R 3.8459 8.9781 121.2830 59.8203 29.8832 178.6374 406 N 4.2618 8.0730 115.7133 56.4776 38.6441 177.3293 407 S 4.0121 7.9201 116.2665 61.4326 62.8755 176.5961 408 A 3.6797 7.4679 122.7548 55.4737 18.0415 179.2336 409 H 4.0025 8.0175 114.5161 59.1221 28.5753 178.0357 410 S 4.1333 8.1794 113.7281 61.0200 62.2748 175.2455 411 A 4.3360 8.0298 121.4047 52.2809 18.5931 178.1041 412 G 4.0782 8.2133 105.8732 45.4199 0.0000 174.4913 413 V 4.5918 7.7080 113.0127 60.9128 32.6179 178.7566 414 G 3.2199 8.3331 107.4607 47.7903 0.0000 175.3905 415 A 4.0351 8.0039 123.5768 54.9878 18.4412 179.5069 416 I 3.6933 7.7646 116.3296 63.9378 38.1591 177.6251 417 F 4.0090 8.1766 121.3849 61.3112 39.1360 176.8876 418 D 4.4732 8.5184 118.6505 57.2502 40.5738 178.9658 419 R 3.9116 7.7050 119.0395 58.9425 29.9362 179.0234 420 V 3.4530 7.7387 118.0361 66.0147 31.5400 178.0877 421 L 3.8810 7.5015 118.2445 58.0703 41.2806 179.7625 422 T 3.7955 7.9107 114.4035 66.8873 68.5880 176.4950 423 E 4.1578 8.3758 119.0750 58.2968 29.7830 177.1875 424 L 4.4501 7.5739 115.9148 56.2777 43.7106 178.2927 425 V 3.5327 8.1829 118.1594 66.4790 31.4999 178.4236 426 S 4.0835 8.7938 113.8166 61.6173 62.3900 176.6835 427 K 3.9737 7.9059 121.3099 59.1027 31.9169 179.0422 428 M 4.0635 8.2366 119.4852 57.8290 31.6970 178.7467 429 R 3.8842 8.0728 119.4421 59.4408 30.0684 178.2679 430 D 4.3628 8.0526 117.7487 57.5810 40.9292 177.6902 431 M 4.0358 7.6208 116.6119 55.9415 32.5557 176.1460 432 R 3.6826 7.3990 116.5173 57.1299 27.7282 177.0755 433 M 4.1394 7.9630 117.3646 55.5762 32.7101 176.0249 434 D 4.8211 9.3960 127.6232 52.4880 42.0292 177.3750 435 K 3.9351 8.6171 119.1050 60.0327 32.0593 179.3693 436 T 3.7583 8.0419 115.3181 66.9436 68.3305 176.2217 437 E 4.0019 9.4969 121.1027 59.1270 29.3811 179.0747 438 L 4.0011 8.1652 120.5923 58.1570 42.1595 178.9179 439 G 3.9452 8.7032 105.9466 48.3295 0.0000 175.0088 440 C 4.3267 8.0304 118.8774 62.5964 28.1485 175.9236 441 L 3.9902 7.9402 120.3377 58.2872 41.2777 179.7588 442 R 3.8334 8.4165 117.6277 59.2591 30.0441 178.5995 443 A 3.8997 9.0125 121.1463 55.5891 18.0949 179.7742 444 I 3.8235 8.3396 117.6150 64.6650 37.3664 178.4358 445 I 3.8543 7.8189 112.6696 63.7672 37.2827 177.6616 446 L 4.1565 8.0855 121.7108 57.3993 43.2996 178.6569 447 F 5.1847 7.6586 118.6887 55.3085 36.5122 173.2467 448 N 4.8627 7.8686 117.9669 51.0407 39.4097 173.6340 449 P 4.4493 0.0000 0.0000 65.1001 31.6129 177.4575 450 D 4.5025 8.2543 116.4068 54.7954 41.3464 176.4528 451 A 4.0480 7.9534 124.2589 52.0753 18.6477 177.1930 452 K 4.0626 8.5881 123.5911 57.9383 32.5508 177.5311 453 G 3.9830 8.9718 111.6321 45.1521 0.0000 173.3507 454 L 4.1580 7.1931 119.1180 54.4295 42.0050 177.4248 455 S 4.1217 9.7282 119.2626 60.7007 63.0791 175.4111 456 N 4.7857 8.2573 127.7865 50.0414 39.0725 172.9825 457 P 4.3004 0.0000 0.0000 65.1234 31.6557 178.1774 458 S 4.1849 8.2710 115.2109 62.1422 62.7584 177.0005 459 E 3.8890 8.1823 121.3998 60.8706 29.6085 181.7047 460 V 3.6576 7.3539 119.3442 65.6343 31.6394 177.4598 461 E 3.9464 8.7708 119.4341 59.5540 29.2070 178.9552 462 V 3.7924 7.8936 119.6033 65.5328 31.4193 178.0279 463 L 3.7089 7.6555 118.5721 57.2543 41.2456 179.5290 464 R 4.2770 7.8369 116.1449 58.9178 29.3015 178.5235 465 E 2.5400 8.0330 117.7924 58.0138 29.4773 179.3278 466 K 3.8647 7.4679 120.1158 59.1045 32.0693 179.2745 467 V 3.6541 7.4352 118.5181 66.1961 31.6268 177.3553 468 Y 4.5850 8.0930 115.6122 58.5286 38.0060 177.4765 469 A 3.9869 7.3820 122.6310 55.4858 18.8456 179.6473 470 S 4.0993 8.1799 113.7410 61.6124 62.8616 176.6822 471 L 4.0756 8.3817 123.3616 58.3173 41.8641 178.7159 472 E 3.3389 8.0133 119.1155 59.1776 29.2896 178.7827 473 T 3.7445 7.8492 115.7353 66.7799 68.5179 175.5099 474 Y 4.1274 8.4893 121.6377 61.4182 38.9119 178.3380 475 C 4.3269 8.5528 117.1538 62.8260 27.9453 176.3962 476 K 4.1419 7.9026 122.0395 60.0836 31.7162 179.6897 *477 Q 4.1199 7.9133 120.5632 60.1135 28.2275 180.5044 478 K 3.8815 7.7828 121.6937 57.8497 33.6743 176.8587 479 Y 4.8440 7.4857 115.3195 55.6118 38.2229 174.4056 480 P 4.3045 0.0000 0.0000 66.5423 31.9359 179.1659 481 E 4.0549 8.2172 113.5583 57.7864 29.8218 179.0640 482 Q 4.4873 7.7908 119.1640 55.5461 27.7662 175.8620 483 Q 4.2031 8.5019 121.8267 56.8326 28.8645 176.4379 484 G 4.0565 7.9613 101.4076 45.1243 0.0000 175.2610 485 R 3.8587 7.8834 121.9698 59.2365 30.0784 177.7510 486 F 4.2911 8.4001 119.6720 61.4565 39.2977 176.5779 487 A 3.5053 8.0313 119.4682 55.0652 18.0332 178.9564 488 K 3.6742 7.8415 116.6516 59.8811 32.4329 178.3820 489 L 4.0542 8.1977 119.0587 57.9633 41.5960 179.4248 490 L 3.8917 7.5346 118.7369 57.7122 41.2618 179.0302 491 L 4.2543 7.8155 115.6512 55.8060 41.8188 178.2945 492 R 4.3048 7.9185 118.7509 56.8968 30.4765 178.4190 493 L 3.9647 7.8120 120.1813 57.1267 41.6214 177.4951 494 P 4.1724 0.0000 0.0000 65.6955 31.2102 178.3763 495 A 3.9577 7.8455 120.2342 54.9297 18.2764 179.4319 496 L 3.8543 7.6988 117.2527 57.7113 41.6178 179.4415 497 R 3.8094 8.0969 119.2679 59.2759 30.0355 178.5215 498 S 4.0730 8.1624 113.7237 61.7452 62.9959 176.2911 499 I 3.7363 7.8263 124.2037 63.7249 36.8362 178.4530 500 G 3.5135 8.1661 106.4069 47.9278 0.0000 175.5784 501 L 4.0303 7.8677 121.9126 57.3333 41.6414 179.8722 502 K 4.0317 8.2421 118.4178 59.4704 31.9108 178.6367 503 C 4.0426 8.5054 119.2595 62.8545 31.4929 175.6566 504 L 4.0667 8.0845 120.2113 57.8815 41.2609 179.5764 505 E 4.2852 8.2334 118.1790 59.9575 29.4398 179.0521 506 H 4.1914 8.5463 116.1583 58.9273 28.7779 177.6841 507 L 4.2106 8.5595 121.1450 58.0968 41.4027 179.4667 508 F 4.1065 8.4753 117.4821 60.4687 38.9583 177.0135 509 F 4.1623 8.4036 119.8595 61.9773 39.1620 177.6394 510 F 4.2068 8.5216 119.4227 60.9848 38.4585 178.5275 *511 K 4.1004 8.0049 122.6743 59.2069 31.5439 181.4746 512 L 4.4099 8.1258 119.7541 57.3533 42.5963 177.8650 513 I 4.1872 7.5465 111.0900 59.7490 38.2274 175.9404 514 G 4.0819 7.4745 110.2161 46.8655 0.0000 172.5721 515 D 4.4631 8.7184 118.9567 55.0553 38.9163 173.7274 516 T 4.7461 7.1922 105.9091 58.3047 71.9289 172.7861 517 P 4.2419 0.0000 0.0000 66.8625 30.5187 179.1467 *518 I 3.7041 7.1915 118.9810 65.0916 35.5528 181.5909 519 D 4.7380 8.4279 122.6448 58.2372 40.8573 179.0682 520 T 3.9845 8.0554 115.4651 66.7803 68.4372 177.9735 *521 F 4.4550 7.8635 124.2492 62.2168 38.0767 178.0862 522 L 4.4954 7.6465 122.4400 54.3013 40.8294 178.3793 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 299 M 8.29 4.47 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 300 P 0.00 4.28 0.00 2.35 2.18 0.00 3.78 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 2.08 2.02 0.00 301 V 9.33 3.57 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 0.81 0.00 0.00 0.95 0.00 0.00 302 D 8.09 4.37 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 0.00 303 R 7.51 4.01 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 304 I 7.53 3.82 2.10 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 1.53 1.00 0.97 0.00 0.00 305 L 7.94 3.93 0.00 1.79 1.91 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 306 E 8.33 3.98 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 307 A 7.88 4.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 308 E 8.28 4.19 0.00 2.25 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 2.57 2.40 0.00 309 L 7.85 3.95 0.00 1.80 1.78 0.94 0.63 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 0.00 310 A 8.01 4.15 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 0.00 311 V 7.87 4.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.05 0.00 0.00 *335 P 0.00 4.34 0.00 2.13 2.21 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 336 V 7.46 3.38 1.68 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 0.56 0.00 0.00 0.25 0.00 0.00 337 T 7.66 3.82 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 338 N 7.95 4.34 0.00 2.80 2.80 0.00 0.00 7.15 7.41 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 0.00 339 I 7.95 3.61 1.91 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 1.42 0.83 0.84 0.00 0.00 340 C 8.18 4.21 0.00 2.94 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 0.00 341 Q 8.11 3.95 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 342 A 7.90 3.91 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 0.00 0.00 0.00 0.00 0.00 343 A 8.10 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 D 8.26 4.45 0.00 2.83 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 0.00 345 K 8.26 3.78 0.00 1.77 1.98 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 346 Q 8.15 4.16 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 347 L 8.19 4.18 0.00 1.87 1.70 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 348 F 7.79 4.20 0.00 3.12 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 T 7.58 4.66 4.33 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 1.45 0.00 0.00 350 L 8.08 4.10 0.00 2.05 1.78 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 351 V 7.82 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 1.16 0.00 0.00 0.97 0.00 0.00 352 E 8.14 3.96 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 353 W 8.18 4.25 0.00 3.43 3.42 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 0.00 354 A 8.30 2.73 0.75 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 0.00 0.00 *355 K 8.03 3.93 0.00 1.85 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 356 R 7.27 4.43 0.00 1.79 1.86 0.00 3.14 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 357 I 7.67 3.71 1.59 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.21 0.95 0.00 0.00 358 P 0.00 3.57 0.00 2.23 2.10 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 359 H 8.08 4.86 0.00 3.13 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 F 8.63 4.38 0.00 3.22 3.19 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 0.00 361 S 8.14 4.12 0.00 3.90 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 0.00 362 S 7.68 4.30 0.00 3.98 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 0.00 363 L 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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 2.62 3.00 0.00 438 L 8.17 4.00 0.00 1.86 1.88 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 439 G 8.70 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 C 8.03 4.33 0.00 3.25 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 0.00 441 L 7.94 3.99 0.00 1.84 1.72 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 442 R 8.42 3.83 0.00 2.18 2.00 0.00 2.99 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 443 A 9.01 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 I 8.34 3.82 2.17 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.92 1.03 0.00 0.00 445 I 7.82 3.85 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 1.54 0.52 0.98 0.00 0.00 446 L 8.09 4.16 0.00 1.63 1.50 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 447 F 7.66 5.18 0.00 3.17 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 0.00 448 N 7.87 4.86 0.00 3.05 2.79 0.00 0.00 7.07 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 0.00 449 P 0.00 4.45 0.00 2.13 2.14 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 450 D 8.25 4.50 0.00 2.85 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 0.00 451 A 7.95 4.05 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 0.00 452 K 8.59 4.06 0.00 1.80 1.81 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.42 7.81 453 G 8.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 L 7.19 4.16 0.00 1.81 1.64 0.98 0.90 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 0.00 455 S 9.73 4.12 0.00 3.93 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 0.00 456 N 8.26 4.79 0.00 2.82 2.70 0.00 0.00 7.36 7.86 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 0.00 457 P 0.00 4.30 0.00 2.21 2.10 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 458 S 8.27 4.18 0.00 4.03 4.13 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 0.00 0.00 0.00 459 E 8.18 3.89 0.00 1.97 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 2.24 2.19 0.00 460 V 7.35 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 461 E 8.77 3.95 0.00 2.10 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 2.39 0.00 462 V 7.89 3.79 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 1.08 0.00 0.00 0.96 0.00 0.00 463 L 7.66 3.71 0.00 1.10 0.24 0.43 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 464 R 7.84 4.28 0.00 2.32 2.51 0.00 2.96 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 465 E 8.03 2.54 0.00 1.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 466 K 7.47 3.86 0.00 1.89 1.81 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.53 7.81 467 V 7.44 3.65 2.41 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 1.27 0.00 0.00 1.25 0.00 0.00 468 Y 8.09 4.59 0.00 3.56 3.37 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 0.00 469 A 7.38 3.99 1.32 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 0.00 0.00 0.00 470 S 8.18 4.10 0.00 4.05 3.97 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 0.00 471 L 8.38 4.08 0.00 2.01 2.04 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 472 E 8.01 3.34 0.00 1.16 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 1.96 1.61 0.00 473 T 7.85 3.74 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 474 Y 8.49 4.13 0.00 3.11 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 0.00 475 C 8.55 4.33 0.00 3.30 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.14 0.00 1.97 1.84 0.00 1.61 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 *477 Q 7.91 4.12 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 478 K 7.78 3.88 0.00 0.87 0.75 0.00 1.49 0.00 0.00 1.24 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.41 0.99 7.81 479 Y 7.49 4.84 0.00 3.22 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 0.00 480 P 0.00 4.30 0.00 2.16 2.25 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 481 E 8.22 4.05 0.00 2.01 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 2.23 1.90 0.00 482 Q 7.79 4.49 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 483 Q 8.50 4.20 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 484 G 7.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 485 R 7.88 3.86 0.00 1.99 2.12 0.00 2.92 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 486 F 8.40 4.29 0.00 3.14 3.12 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 0.00 487 A 8.03 3.51 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 0.00 488 K 7.84 3.67 0.00 1.88 2.03 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 489 L 8.20 4.05 0.00 1.85 1.66 1.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 490 L 7.53 3.89 0.00 1.51 1.48 0.19 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 491 L 7.82 4.25 0.00 1.66 1.63 0.85 0.98 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 0.00 492 R 7.92 4.30 0.00 1.93 1.87 0.00 3.22 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 493 L 7.81 3.96 0.00 1.74 1.66 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 494 P 0.00 4.17 0.00 2.22 2.26 0.00 3.62 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 2.10 1.97 0.00 495 A 7.85 3.96 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 0.00 496 L 7.70 3.85 0.00 1.84 1.60 0.80 0.36 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 0.00 497 R 8.10 3.81 0.00 1.86 2.09 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 498 S 8.16 4.07 0.00 4.07 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 0.00 499 I 7.83 3.74 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.86 0.00 0.00 500 G 8.17 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 0.00 501 L 7.87 4.03 0.00 1.85 1.76 0.93 0.59 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 0.00 502 K 8.24 4.03 0.00 2.11 1.88 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 503 C 8.51 4.04 0.00 3.00 3.13 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 0.00 0.00 0.00 504 L 8.08 4.07 0.00 1.99 1.85 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 505 E 8.23 4.29 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 506 H 8.55 4.19 0.00 3.50 3.68 0.00 5.63 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 0.00 507 L 8.56 4.21 0.00 1.92 1.73 1.15 1.13 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 0.00 508 F 8.48 4.11 0.00 3.44 3.13 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 0.00 0.00 0.00 509 F 8.40 4.16 0.00 3.00 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 0.00 510 F 8.52 4.21 0.00 3.28 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 *511 K 8.00 4.10 0.00 1.88 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 512 L 8.13 4.41 0.00 1.82 1.85 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 513 I 7.55 4.19 1.67 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 1.11 0.59 0.36 0.00 0.00 514 G 7.47 4.08 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 0.00 515 D 8.72 4.46 0.00 2.74 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 0.00 516 T 7.19 4.75 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 1.25 0.00 0.00 517 P 0.00 4.24 0.00 2.28 2.38 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 *518 I 7.19 3.70 1.87 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 0.69 0.91 0.00 0.00 519 D 8.43 4.74 0.00 2.96 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 0.00 520 T 8.06 3.98 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 1.21 0.00 0.00 *521 F 7.86 4.45 0.00 2.38 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 0.00 0.00 0.00 0.00 522 L 7.65 4.50 0.00 1.65 1.46 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.