NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 506 T 4.1780 8.2745 117.3904 62.8247 69.8095 173.6709 507 R 3.4948 8.3978 121.2260 55.4300 28.5279 173.5455 508 P 2.9700 0.0000 0.0000 61.2953 31.7359 175.5516 509 N 4.8025 7.6157 120.5620 51.1824 39.6631 174.5167 510 H 4.8151 8.7618 111.4366 56.5164 29.8496 174.5001 511 T 5.2212 8.0265 116.3371 61.9853 70.9787 173.2735 512 I 4.5616 8.7333 120.2111 59.4885 40.6750 174.3120 513 Y 4.5432 8.9523 126.3094 55.8854 40.1283 174.5420 514 I 4.3116 7.6802 127.6693 60.8221 39.1600 174.7659 515 N 4.8313 8.9166 121.1279 52.8226 40.8084 174.5184 516 N 4.6392 9.0196 117.0345 53.2916 38.5734 174.1990 517 L 4.1547 7.6234 117.1025 54.2770 42.2917 175.2619 518 N 4.2358 8.9683 121.4501 53.8271 39.0882 174.0682 519 E 4.0277 9.1012 126.8309 60.1542 29.9289 180.7024 520 K 4.2229 7.9926 116.3050 54.4664 31.0734 177.7870 521 I 4.3852 7.6886 122.8517 60.2953 39.2201 176.7228 522 K 3.9833 8.2871 124.5251 55.1060 32.4355 177.8612 523 K 4.0500 8.6047 120.2219 60.1054 32.3319 178.9584 524 D 4.4425 8.0489 117.3172 56.8347 41.0249 177.7246 525 E 4.0917 8.0834 118.9237 59.1250 29.8912 178.3651 526 L 4.0409 7.5940 120.2788 57.9310 42.0196 179.0421 527 K 4.0978 8.3233 119.7868 59.2947 32.2075 179.0072 528 K 4.0381 7.9175 118.9773 59.7214 32.0225 179.5361 529 S 4.3408 8.5818 115.6073 61.5755 62.7405 176.8333 530 L 3.9748 8.0885 121.4259 58.1092 41.4871 178.9790 531 H 4.1654 8.8585 118.3983 59.0486 29.4758 177.0604 532 A 4.0004 7.9224 121.9943 55.1951 18.3717 179.2361 533 I 3.5467 7.4532 116.7378 64.6442 37.5430 178.5906 534 F 5.1005 8.1380 117.7870 59.9122 38.8208 177.8521 535 S 4.2008 8.0790 115.4677 62.0558 62.4901 176.8544 536 R 3.9537 7.9690 118.3156 58.4732 29.6726 177.6360 537 F 4.8220 8.3176 116.9082 57.7414 39.5066 174.0219 538 G 3.8600 7.8028 105.4606 43.8302 0.0000 173.4981 539 Q 4.1449 8.8157 117.2520 55.8478 29.1192 174.8795 540 I 3.9186 8.1347 123.2423 59.9570 37.5842 176.3280 541 L 3.9182 8.8011 128.1875 55.5204 41.9989 177.0831 542 D 4.8159 6.4888 122.3216 54.2940 45.6316 175.3234 543 I 5.0773 7.9849 122.2463 59.4846 41.1713 174.3446 544 L 4.8633 9.0048 128.6476 53.3796 44.9284 175.3967 545 V 4.9220 8.1967 124.5646 62.0406 34.2619 173.1147 546 S 4.7215 8.8116 123.6895 56.9403 65.9774 175.7822 547 R 4.1916 8.7532 118.0477 57.3825 30.5563 177.1063 548 S 4.3807 9.1920 120.3474 60.0547 61.1931 176.4779 *551 M 4.3216 8.8427 111.7618 55.4984 32.4195 174.5639 552 R 4.3677 7.6870 118.5329 55.7024 31.0761 174.2889 553 G 4.1576 8.4237 110.1427 44.6698 0.0000 170.8535 554 Q 5.0046 7.3692 117.1371 54.2164 32.7836 173.9506 555 A 4.7023 7.8768 120.5090 51.7700 23.4473 175.2570 556 F 5.1628 8.9116 117.0050 55.7373 43.6067 174.8559 557 V 4.4505 9.0222 121.9844 61.2043 34.2200 174.4345 558 I 4.3822 8.8027 130.6846 60.3500 38.1066 175.9662 559 F 4.9352 9.0384 129.2831 56.9611 40.3502 177.6641 560 K 4.1869 8.6542 120.5749 57.3660 32.0079 177.6010 561 E 4.6856 7.9017 120.2758 54.4597 32.3309 176.8672 562 V 3.7002 8.2632 124.4154 65.8026 31.7529 178.2268 563 S 4.3326 8.1314 113.7904 61.8999 62.4684 176.5362 564 S 3.9742 8.0727 118.4246 61.0875 62.5054 176.2068 565 A 2.7475 7.2549 122.6533 55.0689 18.2601 179.4246 566 T 4.0742 8.8619 115.8322 66.0338 68.6303 176.2706 567 N 4.1688 8.5449 118.5839 56.5120 38.9406 176.7032 568 A 2.0000 7.2833 122.0175 54.4127 18.1053 178.8906 569 L 3.9919 7.5304 120.0540 59.1436 42.0847 179.6369 570 R 4.0512 7.3751 118.4753 61.7967 29.6320 180.7035 571 S 4.5035 7.8686 116.1252 61.6353 62.5310 176.2421 572 M 4.5859 8.7387 119.1243 55.1142 31.2486 175.7808 573 Q 4.1177 7.4957 121.3964 57.4511 28.7953 175.7073 574 G 3.8515 9.4904 115.9785 46.2675 0.0000 172.1918 575 F 4.4244 7.8285 121.1440 55.9995 40.1550 172.8106 576 P 4.4108 0.0000 0.0000 62.7172 29.9562 174.1024 577 F 4.9501 8.5863 123.4947 57.4749 41.3796 175.2433 578 Y 3.8870 8.9508 126.8080 59.2953 35.5197 170.4872 579 D 4.3718 8.1982 111.5056 54.5121 38.7482 174.9861 580 K 4.2393 7.9487 116.8338 54.6355 35.7951 171.9814 581 P 4.1917 0.0000 0.0000 63.3217 31.9637 175.6653 582 M 4.2772 8.7814 126.0321 55.4950 33.5284 174.9584 583 R 4.8002 8.5864 125.1839 54.6395 32.3675 175.2256 584 I 4.9618 8.2606 124.3174 59.9208 41.0333 174.7885 585 Q 4.2763 7.8970 119.4387 56.2194 32.1575 172.6364 586 Y 5.0008 8.4032 116.2323 57.2627 40.5582 175.5173 587 A 4.6316 8.7752 126.2021 51.8901 21.0212 176.3337 588 K 4.4627 8.0344 118.2687 54.1332 34.9116 172.1891 589 T 4.0230 8.0292 105.0776 63.7141 70.3656 172.3686 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 506 T 8.27 4.18 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 507 R 8.40 3.49 0.00 1.91 1.79 0.00 3.30 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 508 P 0.00 2.97 0.00 1.76 1.72 0.00 3.41 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 509 N 7.62 4.80 0.00 2.88 2.82 0.00 0.00 6.30 7.90 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 0.00 510 H 8.76 4.82 0.00 3.47 3.60 0.00 5.41 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 0.00 511 T 8.03 5.22 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 1.40 0.00 0.00 512 I 8.73 4.56 1.72 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.79 0.00 0.00 513 Y 8.95 4.54 0.00 2.41 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 0.00 514 I 7.68 4.31 1.70 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 1.16 0.25 0.84 0.00 0.00 515 N 8.92 4.83 0.00 2.57 2.02 0.00 0.00 6.98 6.71 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 0.00 516 N 9.02 4.64 0.00 2.78 3.17 0.00 0.00 7.21 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 L 7.62 4.15 0.00 1.79 1.70 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 518 N 8.97 4.24 0.00 2.67 2.64 0.00 0.00 7.13 7.65 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 0.00 519 E 9.10 4.03 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 520 K 7.99 4.22 0.00 1.80 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.04 7.81 521 I 7.69 4.39 1.49 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.34 0.41 0.00 0.00 522 K 8.29 3.98 0.00 1.68 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.02 7.81 523 K 8.60 4.05 0.00 1.82 1.82 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 524 D 8.05 4.44 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 E 8.08 4.09 0.00 2.02 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 2.40 2.32 0.00 526 L 7.59 4.04 0.00 1.85 1.94 1.15 0.23 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 0.00 527 K 8.32 4.10 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 528 K 7.92 4.04 0.00 2.03 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.84 7.81 529 S 8.58 4.34 0.00 4.34 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 0.00 530 L 8.09 3.97 0.00 2.07 1.93 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 531 H 8.86 4.17 0.00 3.32 3.49 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 A 7.92 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 I 7.45 3.55 1.19 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 -0.18 0.00 0.00 534 F 8.14 5.10 0.00 3.22 3.33 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 0.00 535 S 8.08 4.20 0.00 3.92 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 0.00 536 R 7.97 3.95 0.00 1.16 1.65 0.00 2.99 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 537 F 8.32 4.82 0.00 3.37 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 G 7.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 Q 8.82 4.14 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 540 I 8.13 3.92 1.66 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 0.98 0.80 0.69 0.00 0.00 541 L 8.80 3.92 0.00 1.62 1.72 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 542 D 6.49 4.82 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 I 7.98 5.08 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 1.00 0.00 0.00 544 L 9.00 4.86 0.00 1.72 1.59 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 545 V 8.20 4.92 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 0.84 0.00 0.00 1.01 0.00 0.00 546 S 8.81 4.72 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 R 8.75 4.19 0.00 1.85 1.87 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 548 S 9.19 4.38 0.00 3.86 3.32 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 *551 M 8.84 4.32 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 552 R 7.69 4.37 0.00 1.80 1.82 0.00 3.28 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 553 G 8.42 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 Q 7.37 5.00 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 555 A 7.88 4.70 1.23 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 0.00 0.00 0.00 556 F 8.91 5.16 0.00 3.01 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 0.00 557 V 9.02 4.45 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.66 0.00 0.00 558 I 8.80 4.38 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.79 0.00 0.00 559 F 9.04 4.94 0.00 3.15 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 0.00 560 K 8.65 4.19 0.00 1.82 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.24 7.81 561 E 7.90 4.69 0.00 2.12 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 2.33 2.42 0.00 562 V 8.26 3.70 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 1.05 0.00 0.00 0.93 0.00 0.00 563 S 8.13 4.33 0.00 4.07 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 0.00 564 S 8.07 3.97 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 A 7.25 2.75 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 0.00 566 T 8.86 4.07 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 567 N 8.54 4.17 0.00 2.92 2.87 0.00 0.00 7.09 8.24 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 0.00 568 A 7.28 2.00 0.43 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 0.00 569 L 7.53 3.99 0.00 1.22 1.56 0.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 570 R 7.38 4.05 0.00 1.99 1.85 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 571 S 7.87 4.50 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 M 8.74 4.59 0.00 1.89 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 573 Q 7.50 4.12 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 574 G 9.49 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 F 7.83 4.42 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 P 0.00 4.41 0.00 1.46 1.78 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 577 F 8.59 4.95 0.00 3.34 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 0.00 578 Y 8.95 3.89 0.00 2.83 2.73 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 0.00 579 D 8.20 4.37 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 0.00 580 K 7.95 4.24 0.00 1.81 1.68 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.24 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.39 7.81 581 P 0.00 4.19 0.00 1.99 2.03 0.00 3.74 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 2.04 2.10 0.00 582 M 8.78 4.28 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 583 R 8.59 4.80 0.00 2.08 1.79 0.00 3.11 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 584 I 8.26 4.96 1.71 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.69 0.00 0.00 585 Q 7.90 4.28 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 586 Y 8.40 5.00 0.00 2.96 3.22 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 0.00 587 A 8.78 4.63 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 K 8.03 4.46 0.00 1.76 1.61 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.95 7.81 589 T 8.03 4.02 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.