NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 D 4.5692 8.2114 119.5477 53.0648 42.7958 177.1201 432 G 3.7616 8.3266 105.1243 48.2866 0.0000 174.6852 433 R 4.2243 8.2930 123.6910 61.2733 29.7275 179.4858 434 L 4.5452 7.8656 122.1912 60.0208 40.8241 184.4462 435 R 4.4884 7.9536 120.7760 62.4092 29.4731 184.7749 436 V 4.1156 7.6525 117.8331 64.6642 32.3468 180.1371 437 L 4.4632 7.8073 120.2417 55.1209 42.4335 177.0543 438 K 3.7444 6.1134 122.8667 51.6587 33.5619 175.0883 439 P 2.9700 0.0000 0.0000 64.2966 30.8554 178.4848 440 E 3.8765 7.5721 114.3762 59.0919 29.3763 178.7957 441 W 4.3365 7.7127 119.3168 58.7393 29.1431 177.2013 442 F 4.9547 8.2958 116.7459 57.8672 39.7184 175.0306 443 R 4.8522 7.4493 118.4763 57.4086 29.5125 175.9393 444 G 3.9583 9.3489 113.9045 45.6484 0.0000 172.2796 445 R 4.7839 8.4928 119.1177 54.5438 33.5376 174.6149 446 D 5.3669 9.5744 120.7593 53.2907 42.5424 176.1056 447 V 4.9323 9.2439 123.6851 60.9600 34.6238 174.2844 448 L 4.2882 8.6108 129.8403 53.2883 44.1097 174.7709 449 D 4.9845 9.0530 128.4940 52.8089 41.7024 174.9487 450 L 4.0162 8.7236 127.1866 54.5278 42.1961 177.8160 451 G 3.9175 8.3790 112.3536 46.7963 0.0000 173.1194 452 C 4.3425 8.7367 113.2901 58.1753 31.9295 175.3789 453 N 3.8479 8.2576 119.5866 55.3021 38.0647 175.3327 454 V 3.6568 8.2905 108.4334 61.2366 31.8476 177.1750 455 G 4.1881 8.6569 111.3529 45.1297 0.0000 175.9210 *456 H 4.0401 8.2910 121.1717 59.7542 27.6725 181.3351 457 L 4.0443 7.8365 122.6672 58.1130 41.9030 178.6485 458 T 3.8795 8.0592 115.2609 66.9672 68.3298 176.2620 459 L 4.1195 8.5533 120.8102 57.9012 41.5924 179.7078 460 S 3.7996 7.9943 115.0860 61.4996 62.6499 176.9576 461 I 3.0196 7.6534 122.3158 64.0042 36.6073 178.2063 462 A 4.0333 7.5526 120.4489 55.9546 18.2360 178.6306 463 C 3.8254 8.1642 120.3066 62.2234 31.2578 176.2704 464 K 3.6941 8.0345 123.7809 56.7983 31.7465 180.0687 465 W 4.9271 8.3121 117.0053 55.3374 30.4131 175.5438 466 G 4.3077 7.7443 106.9811 46.1638 0.0000 171.5844 467 P 5.0637 0.0000 0.0000 62.3948 32.7447 177.4943 468 S 4.3710 8.4982 116.8467 61.4905 63.7951 173.5246 469 R 4.6128 7.6176 118.5348 54.9505 34.2687 173.3173 *471 V 4.1495 8.2917 118.5443 62.7477 33.0690 174.2344 472 G 4.4246 8.6945 115.9979 44.7044 0.0000 171.9228 473 L 5.4554 8.8280 128.3618 53.4854 44.9267 174.6186 474 D 4.9980 8.8406 123.7731 52.9303 44.6300 175.9189 475 I 4.2298 8.5753 122.8315 62.1163 38.7405 175.5615 476 D 4.8020 8.2306 120.6703 52.5683 42.3067 176.8892 477 S 4.2396 8.5957 123.0902 61.1446 63.2568 176.5803 478 R 3.8676 8.5845 122.6230 59.1879 29.7773 178.8376 479 L 3.9251 7.7921 118.1944 57.8285 41.6727 179.3667 480 I 3.4836 7.5142 119.2157 64.5478 37.0787 177.8176 481 H 4.0181 8.3387 119.0409 59.4933 29.6361 177.2375 482 S 4.0197 7.9790 114.2908 61.2116 61.8913 176.0006 483 A 3.9075 7.4464 124.3098 54.4858 18.0110 179.5653 484 R 4.0626 7.5832 115.7069 59.3622 30.5399 179.0020 485 Q 4.1515 7.8381 117.5599 58.1083 28.4038 176.7177 486 N 4.9669 7.4957 116.4978 52.9222 39.6058 174.4475 487 I 4.5160 7.1086 122.3874 59.9343 40.6050 176.0675 *539 V 3.9746 7.9138 117.3813 59.8516 32.7942 172.7289 540 P 4.6627 0.0000 0.0000 62.1041 31.8612 176.9088 541 L 4.0854 9.3384 122.6227 57.3643 41.9130 176.7723 542 D 4.3574 7.3546 115.1987 53.1905 41.6643 176.6446 543 G 3.6449 8.8353 107.0099 48.2404 0.0000 174.3311 544 A 4.1105 8.4483 121.7543 52.9680 18.8099 176.9730 545 D 4.7217 8.2106 116.6337 52.8507 40.7704 175.1641 546 T 4.6176 8.1701 115.8630 61.2357 69.1596 176.5510 547 S 4.5972 7.8187 115.9445 59.1907 64.0206 174.1223 548 V 4.4978 7.2855 120.8460 60.3111 34.1406 174.1558 549 F 4.8653 9.1706 127.2443 57.8044 39.5213 172.9547 550 P 3.2356 0.0000 0.0000 62.4537 31.3134 175.9555 551 N 4.5039 8.1179 115.9637 54.4131 38.8634 175.1825 552 N 5.0050 8.2113 115.1735 51.4407 37.9576 174.1485 553 V 4.6884 7.3414 117.6170 60.3730 34.2505 175.0910 554 V 4.5012 7.9335 114.8390 59.8382 36.5687 173.7699 555 F 5.4646 8.7013 119.7893 55.8563 42.1682 175.0167 556 V 4.5913 9.1691 121.9441 61.4871 35.1198 174.1067 557 T 5.0378 8.5198 123.3376 62.0160 69.7225 174.4646 558 G 4.0948 8.7160 114.0902 46.1495 0.0000 171.3495 559 N 5.0104 8.6425 120.2614 52.0331 39.0840 174.5891 560 Y 4.0760 8.7149 127.9356 59.4906 39.2907 175.5342 561 V 3.5832 7.6832 120.3384 61.9131 31.5370 175.3593 562 L 4.2628 8.0088 129.8829 54.4459 42.6392 177.6604 563 D 4.5107 8.5412 120.5459 55.4627 40.4040 177.4898 564 R 4.8315 7.4352 115.6854 53.7568 35.4360 176.0362 565 D 4.4136 8.5444 120.5995 57.4416 40.6558 178.8205 566 D 4.4100 7.9747 118.6602 56.0512 39.7369 178.3276 567 L 4.0483 7.8038 120.0656 57.7916 41.8997 179.0195 568 V 3.4812 7.4619 117.6352 66.2617 31.1457 177.0948 569 E 4.2024 7.8537 115.5043 57.4469 29.6997 177.3376 570 A 4.3489 7.9539 119.4289 52.7258 19.3572 177.0476 571 Q 4.1168 7.4251 119.7870 56.2827 29.4117 175.7589 572 T 4.6967 8.2925 116.2826 59.1758 71.5177 172.4820 573 P 4.7389 0.0000 0.0000 63.2311 31.5595 176.2751 574 E 4.5880 9.7977 119.8096 55.7557 32.7281 174.8187 575 Y 4.8120 7.9523 116.0976 56.3638 41.9100 175.7053 576 D 4.6446 9.2368 120.2678 55.3690 43.2034 176.9345 577 V 4.8504 7.7037 117.7129 61.1285 35.3699 173.8424 578 V 4.6627 8.5834 127.2564 61.0577 34.4252 173.9103 579 L 4.7939 9.1430 128.4548 53.8466 43.3982 175.3198 580 C 4.8827 9.2990 125.0420 56.9767 32.1769 170.3193 581 L 4.8996 8.2184 120.8062 52.7233 43.5216 176.1662 582 S 4.0164 8.9129 121.0904 60.0209 61.4011 173.6189 583 L 4.8479 7.9767 121.8475 56.1863 43.6689 176.6989 584 T 3.9486 8.2923 111.9179 65.5138 68.2607 176.8805 585 K 3.6508 7.8164 127.4116 58.7646 31.6044 181.2364 586 W 4.4554 7.7257 120.0716 59.4088 28.9684 178.7361 587 V 4.3713 8.0438 118.0978 66.1659 30.9547 177.5253 588 H 4.2850 8.6696 118.4527 59.4730 29.6399 177.3246 589 L 3.9890 8.2626 121.0700 57.8340 41.2774 179.0222 590 N 4.1469 7.7532 114.4537 54.5025 38.7185 175.9736 591 W 4.9613 7.9432 117.0483 55.1055 31.9792 176.3715 592 G 4.1947 8.5780 110.7156 44.5653 0.0000 174.1796 593 D 4.4207 8.8025 117.1677 57.6942 40.5038 179.2242 594 E 4.0513 8.2466 118.2823 59.5256 29.3981 179.5199 595 G 3.7088 8.0860 106.6675 48.3590 0.0000 176.0656 596 L 3.8806 7.8045 126.2783 59.6589 41.1773 181.9629 597 K 4.5576 8.2060 125.1468 59.4339 31.4387 180.6973 598 R 4.5435 7.6630 117.0206 56.7676 30.1816 178.7110 *600 F 5.0682 7.9943 118.9802 57.8533 41.1346 177.5919 601 R 3.9773 8.3417 120.1745 59.2931 29.7183 178.4203 602 R 3.8582 8.3276 118.8421 59.5159 30.0328 178.2455 603 I 3.9243 8.1039 119.1124 64.8230 36.9140 177.3499 604 Y 4.0373 7.9548 118.5446 61.0632 38.7327 178.4000 605 R 4.0339 8.1453 117.2428 59.1618 30.4061 178.1343 606 H 4.6485 8.6665 118.3901 57.6627 30.0032 174.7741 607 L 4.8483 6.9066 119.8778 54.2254 42.6135 177.2193 608 R 4.3217 8.7361 121.5084 54.6636 31.9669 174.1865 609 P 4.4297 0.0000 0.0000 63.9432 31.4080 177.0357 610 G 3.9091 9.1087 113.0104 44.9043 0.0000 173.7991 611 G 3.9111 8.3952 110.1806 46.8702 0.0000 173.4763 612 I 5.2486 8.7331 119.5254 58.3024 40.2987 174.7163 613 L 5.0386 8.7789 126.2281 53.2660 44.6907 175.2535 614 V 4.5542 8.8753 127.3493 61.6762 33.0354 174.1083 615 L 5.2233 9.3288 130.9281 53.4607 44.9793 174.8222 616 E 5.0095 9.0202 126.9432 52.7576 30.0590 172.4726 617 P 5.2339 0.0000 0.0000 61.0546 32.8169 175.9052 618 Q 4.3507 8.7471 121.7076 54.9209 29.7423 174.6158 619 P 4.5984 0.0000 0.0000 61.8703 32.4584 177.1447 620 W 3.9483 9.1768 131.0932 60.9616 30.7181 178.3370 621 S 4.2280 8.7852 116.4041 62.6147 61.1660 177.6051 622 S 4.0250 8.5395 116.7443 61.2684 62.3239 177.6556 623 Y 3.6923 8.4816 119.0901 61.0456 37.7853 178.7854 624 G 3.5727 7.5895 109.2547 49.0037 0.0000 174.7151 625 K 3.5249 7.2691 122.6347 56.5468 32.3537 179.6396 626 R 3.7272 8.5533 125.3165 57.0462 26.2604 173.3320 627 K 4.3944 7.4444 118.9635 55.8100 32.1830 180.2491 628 T 4.7058 7.6318 111.5268 61.9773 69.9586 179.1220 629 L 4.2484 8.2107 126.9534 58.5244 41.4787 181.6508 630 T 4.8363 7.4669 113.0770 61.5699 73.5127 179.7062 631 E 4.2951 8.8979 124.6775 61.8940 29.8202 181.0203 632 T 4.1265 7.9082 116.4277 66.9422 68.6359 180.3515 633 I 4.3851 7.7120 126.7959 65.0651 35.5650 180.2145 *634 Y 4.5344 8.1699 126.3479 62.1164 36.4116 181.3692 635 K 4.4536 8.6133 128.6683 60.0252 31.5981 181.3120 636 N 4.6749 8.0133 118.5114 57.6190 37.5056 180.2723 637 Y 4.0701 8.1022 121.3955 60.7765 38.7624 177.5186 638 Y 4.3979 7.6617 117.0837 59.9815 38.6078 178.2181 639 R 4.3773 7.5787 120.3052 59.2171 29.7244 181.7633 640 I 4.0707 7.7359 121.2857 63.1775 37.0858 176.3579 641 Q 4.4544 9.4487 123.2682 54.1818 29.0035 171.5808 642 L 4.5671 8.0996 122.3854 54.6355 43.0426 176.7408 643 K 4.4266 8.1319 127.6671 53.0870 32.9964 173.2556 644 P 2.0000 0.0000 0.0000 66.2268 30.8693 179.3699 645 E 3.9734 8.0417 117.7313 61.1430 29.6877 180.8717 646 Q 4.6470 7.7222 117.4789 57.3840 28.8707 181.6178 647 F 4.7378 7.8002 119.1102 61.8532 39.1655 177.5541 648 S 4.1247 8.1033 115.4827 62.3388 62.3744 177.2601 649 S 4.2252 7.8524 120.7596 62.9731 62.3979 177.0916 650 Y 4.4964 8.4421 125.7935 61.0864 38.5170 178.3329 651 L 3.7375 8.3810 123.6096 58.2572 40.5640 180.3571 652 T 5.3322 7.2235 106.7509 60.4998 69.5298 174.5679 653 S 4.5777 6.8477 116.9532 56.4449 64.6913 173.3882 654 P 4.1938 0.0000 0.0000 65.4715 31.2668 177.8553 655 D 4.3236 7.4251 116.5959 56.5707 40.4350 176.7643 656 V 3.7365 7.6711 116.5337 63.2374 32.7387 175.2585 657 G 2.7888 7.8088 110.3034 44.8270 0.0000 173.9123 *658 F 4.2370 7.7013 122.9922 59.0491 38.9236 177.1523 659 S 4.4178 9.0764 126.6742 62.2977 62.8410 171.5250 660 S 4.8543 8.0177 114.5537 59.1078 66.5575 177.7316 661 Y 5.5149 8.1455 117.9866 58.9984 40.6781 174.0959 662 E 4.3773 8.0356 114.6948 55.2585 33.9194 173.4650 663 L 4.4236 8.4644 123.8122 55.2039 42.9425 175.1609 664 V 4.0931 8.4894 121.3097 64.8267 33.7188 176.5052 *676 R 4.2601 7.5350 117.0151 54.8457 30.8938 175.6520 677 P 4.4476 0.0000 0.0000 63.2480 32.2620 175.2974 678 V 4.8002 7.8406 118.9032 61.4536 34.7516 173.7280 679 Y 5.3526 9.6072 126.7795 56.8221 42.3155 174.8245 680 L 5.1475 8.7500 124.0150 53.1477 44.1330 175.8065 681 F 5.1923 9.1250 122.5756 55.1405 41.9692 174.0814 682 H 5.2733 9.2617 120.9968 54.0378 31.3602 173.5024 683 K 4.9583 8.9393 124.2590 54.4250 33.7316 175.5357 684 A 4.3921 8.9080 131.3022 52.9473 19.8066 178.3208 685 R 4.1414 8.4381 117.7783 56.3933 29.6813 176.0802 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 431 D 8.21 4.57 0.00 2.62 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 0.00 432 G 8.33 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 R 8.29 4.22 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 434 L 7.87 4.55 0.00 1.75 1.62 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 435 R 7.95 4.49 0.00 1.94 1.87 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 436 V 7.65 4.12 2.08 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 0.98 0.00 0.00 0.93 0.00 0.00 437 L 7.81 4.46 0.00 2.10 2.10 1.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 438 K 6.11 3.74 0.00 1.65 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 0.99 7.81 439 P 0.00 2.97 0.00 1.60 1.05 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 0.00 440 E 7.57 3.88 0.00 2.08 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 2.09 2.33 0.00 441 W 7.71 4.34 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 F 8.30 4.95 0.00 3.32 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 R 7.45 4.85 0.00 1.97 1.96 0.00 3.11 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 444 G 9.35 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 0.00 0.00 0.00 445 R 8.49 4.78 0.00 1.85 2.00 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 446 D 9.57 5.37 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 V 9.24 4.93 2.25 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 1.00 0.00 0.00 1.25 0.00 0.00 448 L 8.61 4.29 0.00 0.27 0.77 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.05 4.98 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 L 8.72 4.02 0.00 1.61 1.42 0.43 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.38 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 0.00 0.00 0.00 452 C 8.74 4.34 0.00 3.31 3.47 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 0.00 453 N 8.26 3.85 0.00 2.82 2.45 0.00 0.00 7.19 7.64 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 0.00 454 V 8.29 3.66 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 0.68 0.00 0.00 0.89 0.00 0.00 455 G 8.66 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *456 H 8.29 4.04 0.00 2.93 3.11 0.00 7.19 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 7.84 4.04 0.00 1.74 1.69 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 458 T 8.06 3.88 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 459 L 8.55 4.12 0.00 1.80 1.75 1.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 460 S 7.99 3.80 0.00 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 I 7.65 3.02 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.40 0.66 0.00 0.00 462 A 7.55 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 C 8.16 3.83 0.00 1.53 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 0.00 0.00 0.00 0.00 464 K 8.03 3.69 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.30 7.81 465 W 8.31 4.93 0.00 3.46 3.08 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 0.00 466 G 7.74 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 0.00 0.00 0.00 467 P 0.00 5.06 0.00 2.19 2.21 0.00 3.89 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 2.14 2.26 0.00 468 S 8.50 4.37 0.00 3.93 4.04 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0.00 0.00 0.00 2.35 2.40 0.00 486 N 7.50 4.97 0.00 2.78 2.83 0.00 0.00 6.78 8.76 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 0.00 487 I 7.11 4.52 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.89 0.00 0.00 *539 V 7.91 3.97 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 540 P 0.00 4.66 0.00 2.02 2.22 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 541 L 9.34 4.09 0.00 1.59 1.73 0.93 0.97 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 0.00 542 D 7.35 4.36 0.00 2.85 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 0.00 543 G 8.84 3.64 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 0.00 544 A 8.45 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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612 I 8.73 5.25 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 1.11 0.84 0.91 0.00 0.00 613 L 8.78 5.04 0.00 1.74 1.58 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 614 V 8.88 4.55 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 1.12 0.00 0.00 0.83 0.00 0.00 615 L 9.33 5.22 0.00 1.89 1.85 1.14 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 616 E 9.02 5.01 0.00 2.21 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 2.32 2.20 0.00 617 P 0.00 5.23 0.00 2.30 2.45 0.00 4.25 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 618 Q 8.75 4.35 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 619 P 0.00 4.60 0.00 2.28 2.06 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 620 W 9.18 3.95 0.00 3.26 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 S 8.79 4.23 0.00 4.00 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 0.00 622 S 8.54 4.03 0.00 3.64 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 Y 8.48 3.69 0.00 2.46 2.63 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 0.00 624 G 7.59 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.27 3.52 0.00 1.85 1.67 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.29 7.81 626 R 8.55 3.73 0.00 1.93 1.82 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 627 K 7.44 4.39 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 0.99 7.81 628 T 7.63 4.71 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 0.00 629 L 8.21 4.25 0.00 1.66 1.61 0.92 0.78 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 0.00 630 T 7.47 4.84 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 0.00 631 E 8.90 4.30 0.00 1.97 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 1.94 0.00 632 T 7.91 4.13 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 0.00 633 I 7.71 4.39 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 1.49 1.49 0.91 0.00 0.00 *634 Y 8.17 4.53 0.00 2.31 2.33 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 0.00 635 K 8.61 4.45 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 636 N 8.01 4.67 0.00 2.73 2.84 0.00 0.00 6.51 8.27 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 0.00 637 Y 8.10 4.07 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 Y 7.66 4.40 0.00 3.24 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 0.00 639 R 7.58 4.38 0.00 1.92 1.84 0.00 3.27 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 640 I 7.74 4.07 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 1.04 0.00 0.00 641 Q 9.45 4.45 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 642 L 8.10 4.57 0.00 1.50 1.86 0.95 0.45 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 0.00 643 K 8.13 4.43 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.03 7.81 644 P 0.00 2.00 0.00 1.99 2.09 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 645 E 8.04 3.97 0.00 2.06 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 2.24 1.96 0.00 646 Q 7.72 4.65 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 647 F 7.80 4.74 0.00 2.97 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 0.00 648 S 8.10 4.12 0.00 3.09 3.43 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 0.00 649 S 7.85 4.23 0.00 3.73 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 Y 8.44 4.50 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 L 8.38 3.74 0.00 1.65 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.22 5.33 4.29 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 1.48 0.00 0.00 653 S 6.85 4.58 0.00 3.95 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 0.00 654 P 0.00 4.19 0.00 2.00 2.11 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 655 D 7.43 4.32 0.00 2.35 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 0.00 656 V 7.67 3.74 1.75 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 0.57 0.00 0.00 0.55 0.00 0.00 657 G 7.81 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 0.00 0.00 0.00 *658 F 7.70 4.24 0.00 2.71 2.47 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 0.00 659 S 9.08 4.42 0.00 3.40 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 0.00 660 S 8.02 4.85 0.00 3.36 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 Y 8.15 5.51 0.00 1.57 2.43 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 0.00 662 E 8.04 4.38 0.00 1.64 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 2.21 1.85 0.00 663 L 8.46 4.42 0.00 1.72 1.58 0.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.49 4.09 2.28 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 1.06 0.00 0.00 1.05 0.00 0.00 *676 R 7.54 4.26 0.00 1.90 1.74 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 677 P 0.00 4.45 0.00 1.85 2.16 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 678 V 7.84 4.80 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 1.16 0.00 0.00 1.01 0.00 0.00 679 Y 9.61 5.35 0.00 3.18 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 0.00 680 L 8.75 5.15 0.00 1.29 1.51 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 681 F 9.13 5.19 0.00 2.93 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 0.00 682 H 9.26 5.27 0.00 3.07 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 K 8.94 4.96 0.00 1.77 1.71 0.00 0.76 0.00 0.00 1.58 0.00 0.00 2.60 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.28 1.35 7.81 684 A 8.91 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 685 R 8.44 4.14 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.