NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 534 Y 4.5931 8.1444 121.6911 57.4847 40.1082 174.8326 535 D 4.0903 7.3542 124.6023 50.5879 43.9263 173.2004 536 P 4.0904 0.0000 0.0000 66.0351 31.8297 178.1530 537 I 3.5834 7.6027 117.7117 64.3571 36.9001 177.9466 538 H 4.3460 7.9876 117.8757 59.3989 29.9144 176.7806 539 E 4.0861 8.2005 121.2060 59.5480 29.3733 178.1125 540 Y 4.0377 8.2548 119.4185 60.8312 38.9274 178.1197 541 V 3.2457 7.9700 119.0214 66.1165 31.4343 177.7235 542 N 4.5173 8.4034 116.0938 56.5126 38.1413 176.8880 543 H 4.0966 7.7444 118.2772 59.2610 30.3086 176.9566 544 E 3.9621 7.8663 120.3443 59.3450 28.8295 179.0742 545 L 4.1316 8.3199 120.6747 58.2880 41.8483 179.2085 546 R 4.2260 7.7088 116.7644 58.7029 29.9759 178.6267 547 K 4.1904 7.8738 117.9678 58.3871 32.3355 178.2784 548 R 4.5472 7.4075 116.6385 56.1351 30.9172 178.3131 549 E 2.7915 8.0760 121.5958 59.1846 29.2683 178.2471 550 N 4.3356 7.7977 113.4490 54.5326 37.3501 175.6381 551 E 4.4466 7.7340 120.5405 57.2373 30.2715 176.5213 552 F 5.1399 7.6308 112.9304 56.5019 40.3698 174.1109 553 S 5.2113 7.8471 113.3613 57.3787 66.9870 173.0968 554 E 4.8159 9.1758 121.8901 54.8961 33.1183 174.4792 555 H 5.4617 8.9126 119.9031 53.9867 31.5487 173.3984 556 K 4.7165 9.1565 122.9341 54.8500 36.1087 174.3509 557 N 5.2771 8.7614 122.8211 51.9413 40.4094 174.4263 558 V 4.4247 8.6924 123.3401 60.9132 34.5268 174.3725 559 K 4.7874 9.4731 128.1357 55.8615 33.4400 175.7736 560 I 4.8963 8.9924 126.3555 59.3368 40.5565 174.2048 561 F 4.7580 8.9257 129.3014 56.2184 41.7787 173.9575 562 V 4.7448 8.3562 126.2273 60.9595 34.1058 174.0543 563 A 5.3199 8.9978 129.0850 50.2737 22.7303 174.5888 564 S 5.4936 9.5567 115.4143 57.0523 66.6072 172.5360 565 Y 4.9626 8.8975 127.0396 56.7703 42.2050 173.1152 566 N 5.0739 8.9016 125.8391 51.7216 39.1259 174.6695 567 L 3.4793 8.7589 127.5293 55.4235 41.9424 177.7998 568 N 4.2696 9.0878 115.4690 54.4331 37.7330 174.7446 569 G 4.1009 8.4495 102.5690 44.8450 0.0000 174.3311 570 C 4.4152 7.7675 114.2427 57.7247 30.2333 173.7539 571 S 4.1864 8.2558 116.2750 57.7616 63.1429 174.4803 572 A 2.0000 7.4521 126.1076 51.8645 18.5114 176.9211 573 T 4.2855 6.7311 113.6397 61.3661 70.0085 173.5228 574 T 4.3967 8.2845 115.3149 62.0488 69.6075 176.0647 575 K 5.2520 8.2222 123.5870 55.1474 30.5076 176.2618 576 L 5.1663 7.8326 116.7342 53.6387 44.4645 178.2281 577 E 4.1102 8.7541 121.2669 60.1258 29.0975 179.1190 578 N 4.4635 8.2493 114.1769 55.4491 38.6367 176.7972 579 W 4.5827 7.8933 128.7190 60.1668 31.3071 177.6927 580 L 3.2750 7.5377 116.7572 55.2534 42.2515 177.0235 581 F 5.6090 7.7066 115.7554 54.7396 39.4802 173.3112 582 P 4.3472 0.0000 0.0000 65.7160 32.2539 177.8183 583 E 4.3188 7.8825 116.6164 55.6984 30.3357 174.9919 584 N 5.1850 8.4556 113.3736 53.9871 39.1157 173.3016 585 T 4.7473 8.4263 107.0280 58.6562 72.3191 171.9327 586 P 4.4765 0.0000 0.0000 61.9529 31.9126 176.8067 587 L 4.1863 8.3167 120.2897 54.9606 42.1381 177.3342 588 A 4.3593 8.4588 125.1637 51.8897 19.4311 177.6423 589 D 4.7641 8.8773 119.7620 56.7385 42.2363 177.1936 590 I 5.2603 7.6865 118.2451 59.6705 41.2748 174.0446 591 Y 4.8689 9.4928 124.7988 56.1437 40.5684 174.7733 592 V 4.6504 9.2072 124.6510 61.0999 34.1833 174.2106 593 V 4.8580 9.1871 128.8187 61.0191 34.2825 174.2316 594 G 4.6633 9.6839 115.5026 44.5338 0.0000 171.8489 595 F 5.7360 9.4992 123.3271 55.7806 42.6845 174.4796 596 Q 4.9458 8.8389 119.8448 54.0770 32.9791 174.9684 597 E 4.1641 8.6313 116.9158 56.3162 27.1670 176.8519 598 I 3.6144 8.0258 120.9928 63.4143 37.9220 176.9950 599 V 4.4536 7.5019 119.4988 60.3020 33.6116 174.3609 600 Q 4.3198 8.6898 128.0867 56.3396 29.5470 175.4888 601 L 4.5956 8.8004 125.0143 54.3331 43.0365 176.4984 602 T 4.3324 8.3432 116.9307 65.1148 70.7892 175.4903 *608 S 4.0656 7.8450 113.2092 57.5186 63.5158 169.3585 609 A 3.8212 8.3643 128.0389 50.8497 18.2938 178.1688 610 D 4.7962 8.2344 121.7549 51.6191 42.4435 174.0937 611 P 4.5845 0.0000 0.0000 64.5338 31.4773 178.2098 612 A 3.9932 8.0298 119.2867 55.1406 18.2889 179.6318 613 K 4.1857 8.7628 118.8027 59.0654 32.0532 179.5352 614 R 4.0998 8.0317 118.6317 59.7072 29.9701 178.8451 615 R 4.0265 8.3662 118.0477 59.2052 29.4664 178.9169 616 E 3.9294 8.1747 118.6615 59.0783 29.4017 179.4271 617 W 4.1392 7.9056 118.9371 59.6927 29.0519 178.2444 618 E 4.3616 8.7185 118.8213 59.7925 29.0024 179.5122 619 S 4.1459 8.5690 113.2668 61.5868 62.5037 175.9000 620 C 4.1045 8.4862 119.8366 62.8026 27.8009 176.3308 621 V 3.4191 8.4836 120.0464 65.7764 31.0984 177.7749 622 K 3.4463 8.0072 119.5233 59.4626 31.9009 178.5698 623 R 3.8344 8.0256 118.7638 59.2334 29.7811 178.1690 624 L 3.9363 7.6072 118.7524 58.2523 42.3084 178.5662 625 L 3.9277 7.8446 119.1385 57.9496 41.3997 179.4070 626 N 4.5959 8.4292 116.4797 55.9956 38.2487 177.7323 627 G 3.6426 8.1607 106.8821 47.4511 0.0000 175.2883 628 K 4.0777 7.4175 118.9501 57.2443 33.3148 177.6726 629 C 4.4890 7.9660 120.3940 58.6338 26.4604 174.1978 630 T 3.9558 7.6769 109.3866 62.3790 69.4351 175.5100 631 S 4.4380 7.1863 117.0131 57.2974 65.1499 175.0385 632 G 3.9145 8.7349 117.0706 44.6540 0.0000 171.1217 633 P 4.4818 0.0000 0.0000 62.9224 33.1094 177.2240 634 G 4.2400 8.2137 106.2743 47.0450 0.0000 173.8392 635 Y 5.3444 10.1050 123.1056 56.0074 40.6590 174.7009 636 V 4.7135 8.9567 115.0297 59.4997 36.1454 174.6879 637 Q 3.9532 8.7296 124.9007 55.5475 28.8740 175.4678 638 L 3.9427 8.8745 129.9363 57.1347 42.5244 176.5071 639 R 4.5825 7.0577 115.7976 55.8564 33.1894 172.7213 640 S 5.2004 8.6812 116.7066 57.1204 66.4736 172.9746 641 G 4.4153 9.2137 107.3080 45.1482 0.0000 171.1311 642 Q 5.1564 8.3613 119.9236 54.6332 33.0634 173.3438 643 L 4.6483 9.3034 127.3637 53.7746 44.9515 177.7113 644 V 3.4967 8.1218 129.0105 64.4106 31.8566 174.1811 645 G 4.1226 8.9030 106.1193 45.6507 0.0000 171.9469 646 T 5.1082 8.3630 118.3224 62.0036 70.3408 173.8555 647 A 5.2662 9.3018 127.2475 50.1985 23.5232 174.2761 648 L 5.4559 9.0331 121.1929 53.4744 45.5294 175.3193 649 M 5.2510 9.4680 122.9547 53.6791 35.1047 173.9094 650 I 5.0054 8.6622 122.7974 59.5465 40.4969 174.4872 651 F 5.4902 9.4171 125.6323 55.9196 42.3374 174.2035 652 C 5.5718 9.1398 115.7466 56.3985 33.7139 173.4101 653 K 3.8643 8.7111 119.2853 56.1516 32.4958 178.2866 654 E 3.8888 8.7933 123.8911 59.7578 29.2350 180.0248 655 S 4.2428 7.9238 112.1325 60.9540 63.2655 175.4996 656 C 4.3577 8.2494 120.7255 61.7154 28.0004 175.4084 657 L 3.8663 7.5983 121.3864 57.3722 41.0843 177.8804 658 P 4.1833 0.0000 0.0000 65.4989 31.4604 177.3781 659 S 4.1044 7.9956 114.6735 59.7956 63.0831 173.7261 660 I 4.6073 7.2552 122.1007 60.1688 37.6332 175.2407 661 K 4.6339 8.7443 124.1088 55.0622 36.3254 175.3144 662 N 4.2518 8.7177 114.0732 54.3762 35.9674 175.3581 663 V 4.1758 7.8030 116.9823 63.1734 32.4708 175.1903 664 E 4.9083 9.3128 126.6329 54.6532 33.8047 174.8643 665 G 4.7616 8.6752 108.1835 45.4545 0.0000 170.9549 666 T 4.6479 8.7791 114.5333 61.4491 71.5211 172.1231 667 V 4.8745 7.9674 115.8350 59.8270 36.4209 175.3227 668 K 4.5131 8.9378 123.6292 55.1800 35.3634 175.5100 669 K 4.7863 8.7006 127.2778 56.7246 33.9096 176.6253 670 T 4.3560 8.3740 112.2699 60.6578 70.5021 177.0327 671 G 3.8873 8.6154 110.0851 44.6332 0.0000 176.3842 672 L 3.3852 9.2462 125.0663 56.3875 42.0257 173.4225 *677 G 3.7813 7.6878 104.1687 45.8424 0.0000 171.8588 678 N 4.9289 8.6276 114.4250 52.6605 39.3907 174.8766 679 K 4.6197 8.8854 118.1239 54.0804 35.0173 176.9098 680 G 4.0303 7.0726 105.8406 45.9222 0.0000 171.1723 681 A 5.2025 8.4816 121.1746 50.2180 23.1763 175.9223 682 V 4.8223 8.8566 119.3480 61.0522 34.8580 174.4418 683 A 5.3285 9.2764 128.2573 50.4871 23.1529 174.8689 684 I 5.4242 9.2912 120.8692 59.7782 41.8305 174.7173 685 R 5.0717 8.6179 122.4038 54.6199 33.2952 173.8456 686 F 5.1674 8.2126 112.9481 56.6599 41.6492 172.1201 687 D 5.3261 9.2991 120.0967 52.9602 43.1990 175.0766 688 Y 4.7251 9.3154 125.1966 55.5107 40.5108 176.1896 689 E 3.7560 8.9600 129.6152 58.1961 29.3913 175.4513 690 D 4.8816 9.1319 125.9658 55.2017 40.9866 175.2588 691 T 4.6239 8.3161 117.5765 61.7411 71.1311 173.6370 692 G 4.2456 9.8005 114.8770 44.7237 0.0000 172.5655 693 L 5.1622 8.7060 124.6782 52.7939 45.6511 175.1471 694 C 4.8039 8.5425 122.4867 57.4948 34.9816 172.4362 695 F 5.4513 9.5947 124.7545 55.7969 42.0176 174.3597 696 I 4.9240 9.2235 123.7847 59.7431 40.5951 174.4290 697 T 4.9590 8.5189 121.0320 59.8608 70.6420 172.7020 698 S 5.2359 8.3245 120.0302 58.0920 68.4490 172.8778 699 H 5.1300 9.5289 120.8798 55.2928 32.4765 172.6767 700 L 4.9868 8.9884 126.1154 52.4441 44.0602 176.4322 701 A 3.8036 8.8746 122.7921 53.1658 18.4952 177.7253 702 A 4.3963 8.6024 125.1114 51.1422 20.2911 175.6431 703 G 4.7823 8.4930 104.0766 44.5781 0.0000 174.0656 704 Y 4.3676 8.7401 123.9343 60.5394 39.0444 177.0634 705 T 4.1675 7.8030 107.0493 62.1590 70.3750 174.7537 706 N 4.5449 7.7944 122.3848 52.6137 36.4843 175.9648 707 Y 4.0865 7.2575 117.5523 60.3312 38.7280 177.1020 708 D 4.2726 7.3109 121.1495 57.2861 40.8576 177.9352 709 E 3.9421 7.9544 119.4358 59.1128 29.6774 178.5809 710 R 3.7839 7.5894 118.9754 59.6036 30.0524 178.3071 711 D 4.4865 8.4828 119.0261 57.5785 40.8106 178.2380 712 H 4.2373 8.3483 118.9046 59.2269 29.8115 177.0154 713 D 4.2546 8.2750 120.9962 57.3963 40.6772 177.9153 714 Y 3.7191 8.0262 119.9546 60.8389 38.6500 178.5989 715 R 3.7074 7.9411 118.6356 59.4753 30.1016 179.1727 716 T 3.7733 8.1941 115.8018 66.6333 68.3237 176.8279 717 I 3.5969 7.8315 121.3985 64.3148 37.0158 178.3256 718 A 3.8728 7.9514 120.6020 55.3036 18.2507 179.5076 719 S 4.4242 8.1311 112.8855 61.0760 63.1177 176.4753 720 G 3.8131 7.9487 107.1652 44.9023 0.0000 173.6892 721 L 3.9155 7.4103 123.9782 54.5833 42.3125 176.3442 722 R 4.6995 7.8231 124.2609 54.7069 34.6290 174.8425 723 F 4.7766 8.6514 127.3271 57.6183 38.4746 176.3333 724 R 4.1904 8.9107 125.8690 58.1092 30.5408 176.5663 725 R 3.8501 9.4402 117.5971 57.3083 27.6168 177.3365 726 G 3.9009 8.4913 102.9758 45.7747 0.0000 174.5161 727 R 3.9059 8.0566 120.9960 56.5185 30.1164 176.6208 728 S 5.0441 8.7811 120.0985 56.5534 65.1017 174.9285 729 I 3.7076 7.8545 113.0344 63.4841 37.5117 177.3347 730 F 4.5275 7.5900 118.6689 59.8465 39.3985 175.8473 731 N 4.7686 7.4525 119.5074 52.4675 37.1986 174.2390 732 H 4.7914 7.3627 113.0801 54.3263 33.6220 174.2144 733 D 4.3035 8.5686 121.7824 56.9808 41.8520 176.0417 734 Y 5.1973 7.9611 115.6708 56.0586 41.7271 175.0289 735 V 4.7265 8.9877 123.5206 60.9808 35.1168 174.1599 736 V 5.0794 8.5986 127.2220 60.9334 34.5714 173.7729 737 W 5.8635 9.8027 135.0000 55.8540 33.8837 174.0142 738 F 5.0214 9.8592 121.4125 56.2280 41.4497 172.9070 739 G 4.0598 7.7007 105.4497 44.6957 0.0000 173.1947 740 D 5.0596 8.1930 120.2175 53.0799 39.9014 177.7712 741 F 4.8114 8.9634 124.0571 57.8561 39.4912 177.1733 742 N 4.4506 8.3920 115.9990 53.7159 36.7910 173.9733 743 Y 4.3653 7.8072 114.8182 58.3451 38.7330 175.3961 744 R 4.8428 9.7442 121.2652 54.5350 34.5184 174.3904 745 I 4.9026 8.2239 120.5863 59.6330 37.9871 177.6576 746 S 4.5567 8.6874 128.3116 58.4618 60.8203 172.7011 747 L 4.7914 7.6037 118.4544 52.5044 46.2032 177.0798 748 T 4.3794 8.7583 110.9083 60.8809 71.3402 175.1177 749 Y 3.8809 8.3988 121.8917 60.9240 38.5483 178.1032 750 E 4.0508 8.2229 116.4605 59.0986 30.1507 178.4543 751 E 4.0885 7.7709 118.6546 59.0168 29.6005 179.1757 752 V 3.5238 7.7660 118.3457 65.7837 31.5578 178.1129 753 V 3.1247 7.3044 118.1995 65.4505 31.2685 176.3060 754 P 4.2109 0.0000 0.0000 65.7123 31.1109 178.1944 755 C 4.1124 7.6010 116.0408 62.5784 28.0286 175.9702 756 I 3.6490 7.9357 114.8438 63.9923 36.9457 177.9045 757 A 4.1425 7.9110 121.7479 54.7669 18.1717 178.6311 758 Q 4.4171 7.9696 113.6704 55.3465 28.9592 176.6147 759 G 3.9224 8.2027 108.1140 46.7211 0.0000 175.8069 760 K 4.4360 8.0689 120.2277 55.6244 29.5086 178.2003 761 L 4.3289 7.7022 122.3199 58.1016 42.0298 179.4546 762 S 4.2534 8.1663 113.8351 61.7888 63.0204 175.7259 763 Y 4.3581 8.1334 121.6552 60.8190 38.6201 177.7970 764 L 4.0841 8.3062 119.9697 57.8489 41.7556 179.2495 765 F 4.2862 9.1919 120.9124 61.3081 39.0045 176.9262 766 E 3.8117 7.8934 116.9352 58.3158 29.4109 177.1251 767 Y 4.1621 7.7635 115.6367 57.4295 38.8182 174.6220 768 D 4.9035 7.7265 121.7310 54.0334 42.2380 176.7811 769 Q 3.7437 9.6783 127.9854 58.7600 28.7189 178.5947 770 L 2.9609 7.7709 120.8103 57.8233 42.0418 178.1494 771 N 4.0007 8.4397 117.2450 56.5144 38.1929 176.5150 772 K 3.6470 7.3928 120.1831 59.7593 32.4176 178.8777 773 Q 3.9245 7.9053 118.1088 58.8749 28.4445 178.5972 774 M 4.2036 8.1198 120.3880 58.0453 31.8097 178.4598 775 L 3.8780 7.8181 118.9363 57.9200 41.9124 179.0227 776 T 4.1250 7.3429 106.1594 61.7758 69.1672 175.7640 777 G 3.7967 7.8794 109.9962 45.7103 0.0000 174.9549 778 K 4.0824 7.6453 119.4419 58.4693 32.2694 177.7110 779 V 3.4172 6.6953 108.4741 59.7228 35.6712 174.8595 780 F 3.4552 5.4600 118.0589 57.4947 36.4077 174.2667 781 P 4.2370 0.0000 0.0000 64.1151 31.8456 176.7973 782 F 3.8717 8.1031 117.6447 57.9389 36.6541 174.7150 783 F 4.7568 8.0800 119.3506 56.4325 40.3549 175.4115 784 S 4.7866 8.6455 117.5315 56.6166 66.6338 172.6238 785 E 4.8235 8.3170 121.4514 54.0717 32.2651 175.3444 786 L 4.2203 8.3855 127.8856 53.8113 43.0095 174.7027 787 P 4.0232 0.0000 0.0000 62.7512 31.6947 175.8875 788 I 3.5139 7.2885 121.9247 60.5844 37.2406 175.6941 789 T 4.3730 8.1044 114.2872 60.8862 69.3428 173.5586 790 F 5.0290 6.7470 116.3299 54.4591 40.2413 173.5659 791 P 4.6879 0.0000 0.0000 61.4213 31.9235 174.6620 792 P 3.3597 0.0000 0.0000 63.6120 31.4462 176.7253 793 T 4.7522 8.8515 111.4421 62.0160 69.8839 173.4074 794 Y 4.9336 7.5465 123.7655 56.9439 42.1152 172.5732 795 K 3.0060 7.7840 124.9659 56.2814 29.0609 174.0963 796 F 5.0460 8.2410 120.3672 55.1590 42.2614 175.9378 797 D 4.6067 9.1148 122.9756 54.3448 41.8879 176.0697 798 I 4.0413 8.3701 123.9436 62.8509 37.4240 176.7665 799 G 3.9917 9.4500 115.5907 45.4406 0.0000 172.5268 800 T 4.6062 7.4952 107.6990 59.8962 71.7249 173.3635 801 D 4.6759 8.6004 118.8411 54.5121 41.1782 176.3202 802 I 4.4973 7.8043 121.9176 60.1740 38.9188 174.8779 803 Y 4.3086 9.2239 124.3261 58.2815 38.9050 175.9677 804 D 4.5296 8.8516 123.7889 54.3478 39.4677 175.6066 805 T 4.5306 9.1657 115.4598 61.1438 69.3562 175.2798 806 S 4.3860 8.4596 118.8105 57.7710 63.8302 174.8790 807 D 4.2036 8.3398 119.8463 56.0005 39.4436 177.9639 808 K 3.7300 8.1347 118.8222 61.0563 32.1146 179.1327 809 H 3.6947 7.1637 111.4354 57.3098 24.4820 173.2755 810 R 4.3314 9.0477 124.3753 54.6520 31.3466 177.0351 811 V 3.8289 8.1982 122.2617 61.9831 32.2042 174.0166 812 P 4.7687 0.0000 0.0000 62.8022 31.8837 175.1565 813 A 4.3517 8.1800 120.7974 50.8649 22.5216 176.0202 814 W 5.0651 8.6015 121.5425 56.0196 26.6884 176.4653 815 T 4.3563 8.2422 113.8059 64.0908 70.2630 175.1094 816 D 5.4119 7.8226 122.1777 53.1306 41.8976 176.5779 817 R 5.0396 8.7916 121.5183 54.8750 35.4337 174.1453 818 I 5.0376 8.8635 121.5422 59.7608 40.1493 175.0370 819 L 5.2972 9.1507 126.9099 53.0830 45.3411 175.2109 820 Y 5.5897 8.9753 119.1051 55.4554 42.0442 173.9670 821 R 4.4251 9.6462 121.1156 55.3710 33.2441 174.4631 822 G 4.4803 8.9978 110.7643 45.1853 0.0000 173.3821 823 E 4.4660 8.6433 117.3712 56.3135 28.9495 177.7277 824 L 3.7318 7.7665 117.5847 54.5637 43.2591 177.9379 825 V 4.2204 8.4149 122.5516 60.6400 32.6080 173.2776 826 P 4.2042 0.0000 0.0000 63.2767 31.7415 173.9548 827 H 4.6167 8.9280 116.1384 55.4925 31.0106 173.9418 828 S 4.7789 8.4760 113.4674 57.5448 66.5552 173.1124 829 Y 4.8713 7.9812 122.7425 57.5014 40.1456 173.3824 830 Q 4.2271 8.1055 125.4169 54.2551 33.9693 174.2568 831 S 4.6017 7.5674 114.9246 56.7909 65.4508 173.4102 832 V 4.3419 7.9093 119.8031 60.6008 34.3472 174.7027 833 P 4.0426 0.0000 0.0000 61.1810 29.5350 174.9582 834 L 4.4610 7.0019 120.2215 52.9179 44.4516 176.0763 835 Y 4.5603 7.5237 117.4399 57.9772 38.8668 177.3435 836 Y 4.5202 7.1298 120.0759 60.0668 38.0984 175.1740 837 S 4.9044 7.9106 112.5047 56.1436 65.7761 172.5751 838 D 5.1330 8.6029 119.0414 53.4747 40.1802 175.4267 839 H 5.7479 8.3589 115.6227 54.4524 32.0418 173.5813 840 R 4.3384 9.0343 120.7876 54.6547 31.4754 174.8127 841 P 4.3057 0.0000 0.0000 62.2435 33.1634 174.5184 842 I 5.1238 8.5788 113.5918 59.7502 41.7122 173.1945 843 Y 5.3141 8.4270 119.3414 56.0116 41.7104 173.4547 844 A 4.8850 8.8751 121.1569 50.5604 23.1294 175.2187 845 T 4.8026 8.0466 109.3932 60.1396 72.3421 172.5837 846 Y 5.2053 8.8047 119.5417 56.6393 43.2236 173.6439 847 E 5.1030 9.1096 120.2293 54.5110 33.0763 174.9989 848 A 4.4702 8.9563 125.8320 49.6964 21.7552 174.7119 849 N 5.0277 8.8999 122.2463 53.8957 39.8460 174.1669 850 I 4.7156 9.4785 127.9165 59.5117 40.5664 174.5857 851 V 4.6542 8.7296 125.4560 60.9008 34.4575 173.9500 852 K 4.8770 9.1867 129.7065 54.8347 34.1319 174.5947 853 V 4.6919 9.4388 129.0594 61.4546 33.1620 175.9789 854 D 4.6073 9.4980 128.2547 53.6318 40.6035 176.6116 855 R 3.8986 8.3867 126.8746 58.7832 30.2571 178.2876 856 E 3.8548 8.1264 118.6947 59.3036 29.9689 178.6312 857 K 3.9539 8.5558 119.7109 59.2930 32.1047 178.7159 858 K 3.4391 7.9834 120.0794 59.1020 32.0890 178.8667 859 K 3.8593 8.2614 120.1164 59.0817 31.9398 179.0593 860 I 3.7108 7.6499 120.3230 64.4230 37.1199 178.2415 861 L 3.9973 7.7686 119.4907 57.6433 41.4134 179.2574 862 F 3.9357 8.4150 120.7495 61.5845 39.3469 177.0668 863 E 4.2069 8.4951 118.0391 59.2585 29.1099 179.1975 864 E 3.9192 8.3568 119.4705 59.4585 29.8619 178.9116 865 L 3.9882 8.5020 119.3103 57.7363 41.5084 179.0641 866 Y 3.7180 8.2970 119.9535 60.6323 38.7593 177.7879 867 N 4.3620 8.4365 117.4608 56.4120 38.6596 176.9863 868 Q 3.9247 8.3061 121.2726 59.4456 29.1751 178.7298 869 R 3.6731 7.9527 119.4874 59.1530 30.0131 178.4043 870 K 3.7683 8.0497 119.9119 59.1607 32.0441 178.7512 871 Q 3.8589 8.6149 120.3139 59.2934 28.9651 177.7458 872 E 3.8650 8.4008 119.9884 59.5876 29.1830 179.6405 873 V 3.6065 7.2874 117.0379 65.4631 31.8356 178.2550 874 R 4.0152 7.6173 117.7118 59.4260 29.8847 178.5657 875 D 4.3544 8.2438 118.5022 57.4469 40.6112 178.8464 876 A 4.1155 7.7056 119.6835 54.0505 18.3467 178.4772 877 S 4.7712 7.6882 112.9807 58.5773 64.3449 174.2896 878 Q 4.1271 7.7330 126.7208 56.2066 29.4670 175.2924 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 534 Y 8.14 4.59 0.00 2.96 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 0.00 535 D 7.35 4.09 0.00 2.80 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 P 0.00 4.09 0.00 2.12 2.13 0.00 3.50 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 537 I 7.60 3.58 1.67 0.00 0.00 0.55 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 0.50 -0.14 0.00 0.00 538 H 7.99 4.35 0.00 3.68 3.49 0.00 5.60 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 0.00 539 E 8.20 4.09 0.00 2.26 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 0.00 2.44 2.49 0.00 540 Y 8.25 4.04 0.00 3.08 3.01 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 0.00 541 V 7.97 3.25 1.57 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 0.52 0.00 0.00 0.89 0.00 0.00 542 N 8.40 4.52 0.00 3.07 2.96 0.00 0.00 6.66 7.62 0.00 0.00 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 H 7.74 4.10 0.00 3.27 3.41 0.00 5.76 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 0.00 544 E 7.87 3.96 0.00 1.83 1.81 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 1.47 1.89 0.00 545 L 8.32 4.13 0.00 2.06 1.83 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 546 R 7.71 4.23 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 547 K 7.87 4.19 0.00 1.87 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.38 7.81 548 R 7.41 4.55 0.00 1.97 2.19 0.00 3.38 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 549 E 8.08 2.79 0.00 1.95 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 0.00 2.22 2.54 0.00 550 N 7.80 4.34 0.00 2.81 2.86 0.00 0.00 5.99 7.66 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 0.00 551 E 7.73 4.45 0.00 2.20 2.12 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 2.31 2.28 0.00 552 F 7.63 5.14 0.00 3.20 3.21 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 0.00 553 S 7.85 5.21 0.00 3.59 3.65 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 0.00 554 E 9.18 4.82 0.00 1.88 1.81 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 2.22 2.40 0.00 555 H 8.91 5.46 0.00 2.97 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 K 9.16 4.72 0.00 1.81 1.64 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 557 N 8.76 5.28 0.00 2.62 2.70 0.00 0.00 6.70 7.68 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 0.00 558 V 8.69 4.42 1.93 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 0.72 0.00 0.00 0.21 0.00 0.00 559 K 9.47 4.79 0.00 1.80 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.38 7.81 560 I 8.99 4.90 2.03 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 1.18 1.03 1.02 0.00 0.00 561 F 8.93 4.76 0.00 2.49 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 0.00 0.00 0.00 562 V 8.36 4.74 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 0.13 0.00 0.00 1.09 0.00 0.00 563 A 9.00 5.32 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 0.00 564 S 9.56 5.49 0.00 4.30 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 0.00 565 Y 8.90 4.96 0.00 2.17 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 5.07 0.00 2.51 2.36 0.00 0.00 7.39 7.78 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 0.00 567 L 8.76 3.48 0.00 1.75 1.50 -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 568 N 9.09 4.27 0.00 3.08 2.92 0.00 0.00 7.22 8.13 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 0.00 569 G 8.45 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 C 7.77 4.42 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 S 8.26 4.19 0.00 3.70 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 A 7.45 2.00 -0.05 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 0.00 0.00 573 T 6.73 4.29 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 1.02 0.00 0.00 574 T 8.28 4.40 4.27 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 1.19 0.00 0.00 575 K 8.22 5.25 0.00 1.95 2.03 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.59 7.81 576 L 7.83 5.17 0.00 1.84 2.09 1.55 1.66 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 0.00 577 E 8.75 4.11 0.00 2.15 2.19 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 2.50 2.63 0.00 578 N 8.25 4.46 0.00 2.75 2.93 0.00 0.00 6.81 7.68 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 0.00 579 W 7.89 4.58 0.00 3.05 3.39 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 0.00 580 L 7.54 3.27 0.00 0.64 0.13 -0.53 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 581 F 7.71 5.61 0.00 3.02 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 0.00 582 P 0.00 4.35 0.00 2.18 2.08 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.67 0.00 583 E 7.88 4.32 0.00 2.34 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 0.00 2.44 2.45 0.00 584 N 8.46 5.18 0.00 2.64 2.76 0.00 0.00 6.62 7.70 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 0.00 585 T 8.43 4.75 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 586 P 0.00 4.48 0.00 2.08 2.04 0.00 3.69 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 2.03 2.11 0.00 587 L 8.32 4.19 0.00 1.82 1.92 0.97 0.74 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 0.00 588 A 8.46 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 D 8.88 4.76 0.00 2.80 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 0.00 590 I 7.69 5.26 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 0.97 0.00 0.00 591 Y 9.49 4.87 0.00 2.92 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 0.00 592 V 9.21 4.65 1.85 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 1.07 0.00 0.00 -0.02 0.00 0.00 593 V 9.19 4.86 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 0.46 0.00 0.00 0.84 0.00 0.00 594 G 9.68 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 F 9.50 5.74 0.00 2.93 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 0.00 596 Q 8.84 4.95 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.30 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 597 E 8.63 4.16 0.00 2.34 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 2.43 2.32 0.00 598 I 8.03 3.61 1.91 0.00 0.00 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 0.91 1.09 1.04 0.00 0.00 599 V 7.50 4.45 2.12 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 1.04 0.00 0.00 0.97 0.00 0.00 600 Q 8.69 4.32 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 601 L 8.80 4.60 0.00 1.73 1.61 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 602 T 8.34 4.33 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *608 S 7.84 4.07 0.00 3.87 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 0.00 609 A 8.36 3.82 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 D 8.23 4.80 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 P 0.00 4.58 0.00 2.22 2.12 0.00 3.96 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 2.14 2.04 0.00 612 A 8.03 3.99 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 0.00 613 K 8.76 4.19 0.00 2.00 1.98 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 614 R 8.03 4.10 0.00 2.09 2.20 0.00 3.21 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 615 R 8.37 4.03 0.00 2.06 2.01 0.00 3.21 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 616 E 8.17 3.93 0.00 1.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 617 W 7.91 4.14 0.00 3.44 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 0.00 618 E 8.72 4.36 0.00 2.38 2.39 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 2.58 2.75 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0.00 755 C 7.60 4.11 0.00 3.22 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 0.00 756 I 7.94 3.65 1.76 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.53 0.00 0.00 757 A 7.91 4.14 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 0.00 758 Q 7.97 4.42 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.22 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 759 G 8.20 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 0.00 760 K 8.07 4.44 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.55 7.81 761 L 7.70 4.33 0.00 1.79 1.99 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 762 S 8.17 4.25 0.00 3.93 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 0.00 763 Y 8.13 4.36 0.00 3.13 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0.00 788 I 7.29 3.51 0.63 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.08 -0.81 0.00 0.00 789 T 8.10 4.37 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 1.12 0.00 0.00 790 F 6.75 5.03 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 791 P 0.00 4.69 0.00 2.36 2.21 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 792 P 0.00 3.36 0.00 1.66 1.52 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 793 T 8.85 4.75 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 794 Y 7.55 4.93 0.00 2.82 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 0.00 795 K 7.78 3.01 0.00 0.79 1.40 0.00 1.40 0.00 0.00 1.14 0.00 0.00 2.91 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.85 1.23 7.81 796 F 8.24 5.05 0.00 3.03 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 0.00 797 D 9.11 4.61 0.00 2.64 2.64 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 0.00 798 I 8.37 4.04 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 1.07 0.00 0.00 799 G 9.45 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 0.00 0.00 0.00 800 T 7.50 4.61 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 801 D 8.60 4.68 0.00 2.73 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 0.00 802 I 7.80 4.50 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.07 0.00 0.00 803 Y 9.22 4.31 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 D 8.85 4.53 0.00 2.72 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 0.00 805 T 9.17 4.53 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 1.40 0.00 0.00 806 S 8.46 4.39 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 0.00 807 D 8.34 4.20 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 K 8.13 3.73 0.00 1.88 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.56 7.81 809 H 7.16 3.69 0.00 2.95 3.00 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 810 R 9.05 4.33 0.00 1.65 1.94 0.00 3.48 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 811 V 8.20 3.83 2.19 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 0.87 0.00 0.00 0.83 0.00 0.00 812 P 0.00 4.77 0.00 1.32 0.97 0.00 3.41 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.21 0.00 813 A 8.18 4.35 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 0.00 814 W 8.60 5.07 0.00 3.50 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 0.00 815 T 8.24 4.36 4.53 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 0.93 0.00 0.00 816 D 7.82 5.41 0.00 2.67 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 0.00 817 R 8.79 5.04 0.00 1.65 1.80 0.00 3.40 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 818 I 8.86 5.04 1.77 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 1.30 0.79 1.04 0.00 0.00 819 L 9.15 5.30 0.00 1.66 1.60 -0.24 0.26 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 0.00 820 Y 8.98 5.59 0.00 2.89 2.90 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 0.00 821 R 9.65 4.43 0.00 0.67 1.29 0.00 3.02 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 822 G 9.00 4.48 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 0.00 823 E 8.64 4.47 0.00 2.23 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 0.00 2.40 2.35 0.00 824 L 7.77 3.73 0.00 1.01 1.22 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 825 V 8.41 4.22 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 0.92 0.00 0.00 0.91 0.00 0.00 826 P 0.00 4.20 0.00 1.94 1.66 0.00 3.67 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 827 H 8.93 4.62 0.00 2.83 3.17 0.00 5.82 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 S 8.48 4.78 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 Y 7.98 4.87 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 Q 8.11 4.23 0.00 1.21 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.46 0.00 0.00 0.00 0.00 0.00 2.08 2.42 0.00 831 S 7.57 4.60 0.00 3.68 3.17 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 0.00 832 V 7.91 4.34 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 0.83 0.00 0.00 1.23 0.00 0.00 833 P 0.00 4.04 0.00 2.04 1.81 0.00 3.64 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 2.01 2.02 0.00 834 L 7.00 4.46 0.00 1.05 1.11 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 835 Y 7.52 4.56 0.00 2.86 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 0.00 836 Y 7.13 4.52 0.00 3.35 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 0.00 837 S 7.91 4.90 0.00 3.88 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 0.00 838 D 8.60 5.13 0.00 2.94 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 0.00 839 H 8.36 5.75 0.00 3.37 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 840 R 9.03 4.34 0.00 1.63 1.71 0.00 2.90 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 841 P 0.00 4.31 0.00 0.49 0.49 0.00 3.31 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.00 842 I 8.58 5.12 1.64 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 1.32 0.83 0.63 0.00 0.00 843 Y 8.43 5.31 0.00 2.43 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 0.00 844 A 8.88 4.89 0.90 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 0.00 845 T 8.05 4.80 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 1.15 0.00 0.00 846 Y 8.80 5.21 0.00 2.85 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 0.00 847 E 9.11 5.10 0.00 1.89 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 2.14 2.09 0.00 848 A 8.96 4.47 0.90 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 0.00 849 N 8.90 5.03 0.00 2.81 2.89 0.00 0.00 7.09 7.94 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 0.00 850 I 9.48 4.72 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.93 1.13 0.00 0.00 851 V 8.73 4.65 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 0.91 0.00 0.00 0.85 0.00 0.00 852 K 9.19 4.88 0.00 1.86 1.67 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.51 7.81 853 V 9.44 4.69 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 1.01 0.00 0.00 1.01 0.00 0.00 854 D 9.50 4.61 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 R 8.39 3.90 0.00 1.83 1.91 0.00 3.30 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 1.87 1.61 0.00 856 E 8.13 3.85 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 857 K 8.56 3.95 0.00 2.14 1.89 0.00 2.01 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.50 7.81 858 K 7.98 3.44 0.00 1.30 1.61 0.00 1.31 0.00 0.00 1.31 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.91 0.21 7.81 859 K 8.26 3.86 0.00 1.88 1.73 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.51 7.81 860 I 7.65 3.71 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.54 0.93 0.00 0.00 861 L 7.77 4.00 0.00 1.85 1.76 1.10 0.85 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 0.00 862 F 8.41 3.94 0.00 3.14 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 0.00 863 E 8.50 4.21 0.00 2.22 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 2.69 2.50 0.00 864 E 8.36 3.92 0.00 2.21 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 2.37 0.00 865 L 8.50 3.99 0.00 1.74 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 866 Y 8.30 3.72 0.00 2.69 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 0.00 867 N 8.44 4.36 0.00 3.01 2.88 0.00 0.00 6.70 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 Q 8.31 3.92 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 869 R 7.95 3.67 0.00 1.75 1.96 0.00 2.71 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.00 870 K 8.05 3.77 0.00 1.75 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.30 7.81 871 Q 8.61 3.86 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 872 E 8.40 3.86 0.00 2.05 1.90 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 2.28 2.50 0.00 873 V 7.29 3.61 2.16 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 0.75 0.00 0.00 0.79 0.00 0.00 874 R 7.62 4.02 0.00 1.97 1.93 0.00 3.42 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 875 D 8.24 4.35 0.00 2.65 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 0.00 876 A 7.71 4.12 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 0.00 877 S 7.69 4.77 0.00 3.95 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 0.00 878 Q 7.73 4.13 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.