NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 K 4.3361 8.3144 120.1372 56.3416 33.5910 173.8362 603 I 4.5466 7.8600 118.7678 58.3106 40.8269 174.0057 604 F 4.6107 10.1666 133.0961 58.3244 40.5460 173.9684 605 I 4.1504 7.8906 126.7789 58.8574 39.6351 175.1007 606 D 4.1383 8.2740 127.1068 53.6471 41.8127 175.1093 607 P 3.9848 0.0000 0.0000 65.6806 31.5137 177.7293 608 F 4.9645 8.8078 114.9859 58.2747 38.4587 176.0680 609 T 4.4983 8.1549 111.1384 61.9424 69.5437 175.3165 610 F 4.3224 8.2952 121.2894 57.0607 39.6295 175.3663 611 E 4.0347 8.9432 123.8145 58.8856 29.4916 176.5703 612 D 4.7195 7.8514 118.1429 50.7442 42.2620 173.3302 613 P 3.9596 0.0000 0.0000 65.8919 31.4606 177.7975 614 N 4.4064 8.3347 114.2020 55.7796 38.4296 176.6769 615 E 3.9841 9.1765 122.1295 58.7307 29.7020 178.5497 616 A 3.3212 7.4923 121.2280 54.5618 18.1842 179.6152 617 V 3.4084 7.5046 116.2174 66.4351 31.4719 178.4051 618 R 3.6006 7.4806 115.6494 58.9620 29.8602 178.4884 619 E 3.8549 7.6915 118.5679 58.6202 29.4511 177.8993 620 F 4.8216 8.4061 116.4002 56.5364 40.0897 175.2154 621 A 4.7469 8.0525 121.9832 49.9021 20.9639 175.7770 622 K 4.3219 8.2687 123.5372 55.6130 33.9537 175.1048 623 E 4.6657 8.6908 128.2546 55.7964 30.4678 175.3591 624 I 4.6139 8.7522 127.7882 59.3688 40.2237 175.0641 625 D 4.5616 8.6187 125.7219 53.5622 42.3241 176.9739 626 I 3.8710 8.5563 126.4704 64.5644 37.2282 178.0804 627 S 4.3171 7.9230 113.6377 60.3809 63.0023 174.4773 628 C 4.5152 8.4193 119.0198 60.6071 29.9316 174.0395 629 V 4.2654 7.4705 118.1176 62.2258 32.4430 176.3442 630 K 4.4279 8.5923 127.8019 55.0732 34.5348 174.7968 631 I 3.9878 8.3450 128.5315 61.5033 37.4077 175.0888 632 E 4.4943 9.6074 128.9888 57.0803 29.7160 175.7430 633 Q 4.6556 7.4112 114.4586 54.8807 32.4955 172.5459 634 V 4.3552 8.3736 120.5633 62.9583 31.6524 175.4500 635 I 4.4886 8.8282 120.3882 60.9066 39.5385 174.8157 636 G 4.1913 7.4958 108.2361 45.9134 0.0000 171.5406 637 A 4.9485 8.6719 120.7962 50.3546 21.5702 176.5619 638 G 4.2183 9.0799 113.4512 44.2669 0.0000 172.4606 639 E 4.0176 8.7677 118.4530 57.3867 30.1648 177.8126 640 F 4.7758 8.1761 115.0165 56.3617 41.1481 175.4445 641 G 4.7386 7.4203 107.8288 46.0694 0.0000 171.3252 642 E 4.9669 7.4666 119.3288 54.8299 32.7851 175.5101 643 V 4.8187 8.5284 121.6140 61.6910 33.8570 174.4234 644 C 5.3963 9.6529 125.0330 58.1316 32.9041 172.7246 645 S 4.9785 8.6847 114.9347 57.7132 64.4386 173.4722 646 G 4.0999 8.2042 110.3821 46.3826 0.0000 171.4767 647 H 5.5111 8.9843 116.0850 53.9456 32.9697 173.1051 648 L 5.3413 8.6115 121.7258 52.9634 45.6142 174.8309 649 K 4.7660 8.3635 125.3872 54.6695 35.9496 175.4224 *654 R 3.9568 8.4536 123.8118 55.6257 30.4397 174.9298 655 E 4.2496 8.6312 126.4507 56.8217 30.3932 175.4685 656 I 4.6293 8.1464 116.6263 59.2830 41.6201 174.0996 657 F 4.8278 8.6038 121.2737 57.9099 39.7541 175.2402 658 V 4.9273 8.9522 113.7097 60.4399 36.8062 173.0700 659 A 5.2240 9.2727 124.4905 50.8231 21.3349 176.3262 660 I 5.0179 9.1890 121.8151 59.5074 41.2535 174.4949 661 K 5.1932 9.1302 126.9287 54.9421 34.4583 175.4628 662 T 4.9549 8.8792 115.8506 60.0557 71.6621 173.7227 663 L 3.9432 9.1866 127.0367 55.9282 42.4037 177.2652 664 K 4.1567 8.0559 119.8011 55.8438 34.2017 177.9252 665 S 4.7396 9.6525 109.7701 58.8863 65.1792 175.6160 666 G 3.8740 8.6634 113.2073 46.5431 0.0000 173.6129 667 Y 4.3543 6.6492 114.2941 56.5204 38.9117 175.8538 668 T 4.5048 8.2869 111.5976 60.6814 72.0505 175.3501 669 E 4.0880 8.6843 121.6223 59.2100 29.5948 178.9380 670 K 3.9501 8.0268 119.3883 59.4285 32.4055 178.4003 671 Q 4.1914 8.4187 118.7216 59.4063 28.7336 179.2878 672 R 3.6212 8.0115 119.2858 59.1197 29.9593 178.5905 673 R 3.8563 7.8058 118.3611 59.6632 30.0183 178.2313 674 D 4.5797 8.4571 117.6840 57.2232 40.5588 178.4433 675 F 3.5639 7.6592 121.1397 61.0403 39.4171 177.0831 676 L 3.8456 7.9724 117.7600 56.4726 41.3780 179.3355 677 S 4.5152 7.7856 116.4862 60.7591 62.7205 175.9025 678 E 3.8559 7.6886 121.7729 59.1337 29.1752 178.7754 679 A 3.8725 7.5091 120.4213 54.8823 18.7902 179.5547 680 S 4.0877 8.0143 112.4699 60.8656 62.9179 176.5849 681 I 3.5991 7.5987 123.7931 64.0152 37.3646 177.4864 682 M 3.4055 7.8811 119.2168 58.4773 31.7586 178.1288 683 G 3.7036 7.6495 105.1871 45.9468 0.0000 174.6993 684 Q 3.7608 7.0101 118.8692 55.6670 29.2129 175.5337 685 F 5.3307 6.5437 118.4899 56.1250 41.1006 175.8337 686 D 4.4806 8.8819 123.5626 53.7437 42.2645 173.5900 687 H 4.5092 7.8371 123.4583 53.4923 32.7993 172.7119 688 P 4.2304 0.0000 0.0000 64.8803 31.5135 176.9181 689 N 4.9249 8.0633 114.7936 52.5493 39.0842 173.3674 690 V 4.7047 7.4610 117.9017 60.7264 34.1059 175.2753 691 I 3.8465 8.6101 128.3857 62.6114 37.8782 174.9835 692 H 4.4677 9.6141 127.7010 55.6304 31.0861 173.5430 693 L 4.4905 8.1112 128.0191 54.5019 42.3135 175.8615 694 E 4.1120 9.4300 127.2396 57.6334 30.4446 176.8798 695 G 3.9720 6.9071 103.0830 46.7030 0.0000 171.3106 696 V 5.0524 8.4839 112.1748 59.5963 36.8807 175.4263 697 V 4.8962 8.7869 121.3927 61.8124 33.1484 175.7174 698 T 4.6330 9.4567 117.6629 61.2392 70.2290 176.0356 699 K 4.2464 8.3912 120.3293 58.2139 33.1639 177.3051 700 S 4.6195 7.0638 114.8203 58.0042 63.0993 174.3826 *702 P 4.7148 0.0000 0.0000 63.3688 31.9067 174.9109 703 V 4.7224 8.3895 117.8237 63.1117 32.4460 175.6664 704 M 6.2300 8.5889 123.4487 53.9847 35.4220 173.3217 705 I 4.7647 8.5272 119.5676 59.5780 40.7546 174.4195 706 I 5.1145 8.9093 128.3709 59.8272 39.4672 174.9633 707 T 5.2255 8.8686 116.6869 59.1036 72.7298 173.0185 708 E 4.4445 8.5837 120.3429 56.6067 30.2310 176.4224 709 F 4.5399 8.8873 124.6004 58.2384 40.6500 174.8874 710 M 4.2306 7.7483 125.5700 53.0279 32.4229 175.7752 711 E 3.4208 8.3081 123.8679 59.4250 29.6748 178.5577 712 N 4.5093 7.8530 112.5627 52.2317 39.3825 177.4347 713 G 3.6107 7.8024 108.1969 46.3362 0.0000 173.3717 714 S 4.6550 8.3494 117.2285 58.0028 64.5282 174.4036 715 L 4.0484 8.8764 129.0606 58.4028 41.9761 179.2303 716 D 4.4087 8.0933 118.6575 56.6438 39.4788 178.5999 717 S 4.2018 8.0805 115.7057 60.8751 62.9489 175.8867 718 F 4.4444 8.4630 123.8157 61.2242 39.4466 176.8483 719 L 4.2171 8.3921 118.7213 57.7953 41.1975 179.6270 720 R 4.1269 7.8835 117.3241 59.3062 30.1372 178.5427 721 Q 4.2557 8.0234 115.3022 56.9175 29.3723 175.7815 722 N 4.7975 7.9668 118.5998 51.7587 39.7653 173.9505 723 D 3.9754 8.3538 116.8966 55.9740 41.4962 175.7874 724 G 3.3720 5.3800 113.9260 46.4148 0.0000 173.5893 725 Q 4.0793 7.4231 116.8430 55.2746 29.4111 175.7844 726 F 5.1252 8.1169 116.7036 55.3341 42.1387 175.7714 727 T 4.3395 8.3171 113.0460 61.2520 70.9043 175.8253 728 V 3.6129 8.2909 120.7688 66.2599 31.4479 178.2082 729 I 3.6963 7.7190 119.0027 64.4628 36.9839 178.1066 730 Q 3.9864 8.1561 118.8479 59.0458 28.5772 179.1460 731 L 3.8454 7.9177 119.8413 57.8202 41.5898 179.7639 732 V 3.7142 8.1107 118.4679 65.8738 31.3856 178.2945 733 G 3.5776 8.3735 106.0057 47.8499 0.0000 175.7283 734 M 4.0244 7.7245 120.6048 58.2613 31.9505 178.7892 735 L 4.0612 7.9726 119.1432 57.6731 41.6375 179.6607 736 R 4.0054 8.4748 119.2747 59.2950 30.0674 178.7807 737 G 3.6012 8.0365 105.5321 47.9086 0.0000 175.7162 738 I 3.7173 8.0024 122.3280 64.0859 37.0974 178.4560 739 A 3.7863 8.5211 121.6097 54.9663 18.0977 179.5852 740 A 4.0054 8.3223 119.8989 55.2260 18.4403 180.1488 741 G 3.4328 8.0710 104.3197 47.9839 0.0000 176.0141 742 M 3.7268 7.9197 121.0213 57.5942 31.7007 178.6025 743 K 3.8668 7.9105 120.0963 59.7551 32.4319 178.1478 744 Y 3.9381 7.7860 119.6572 60.5706 38.6147 178.1739 745 L 3.5558 7.7779 119.6592 57.5385 41.7218 179.1823 746 A 4.0235 8.3626 120.9958 55.4510 18.1263 179.4048 747 D 4.3570 8.1616 116.4857 57.6194 41.1411 178.2072 748 M 4.2086 7.6129 116.6689 54.8190 31.8568 175.8772 749 N 4.4368 8.3443 117.1235 54.9704 37.9307 173.0721 750 Y 4.3701 8.3997 118.1649 55.2504 40.1680 174.5578 751 V 4.0924 7.5268 127.3985 61.5706 32.6182 174.9026 752 H 3.9606 9.4931 128.2422 59.1999 29.8520 177.6306 753 R 4.3812 8.6804 115.5089 56.5017 29.2600 175.9171 754 D 4.8616 7.7219 116.6627 53.2854 41.7713 175.1081 755 L 3.7744 8.2999 119.6874 54.8496 42.6975 175.4325 756 A 4.4444 7.9312 126.0058 51.0432 21.9258 176.5568 757 A 3.9994 8.9639 123.7559 55.2492 18.5373 180.6597 758 R 4.4767 7.7499 109.9981 58.1591 29.7903 176.7730 759 N 4.7720 8.2305 115.9764 52.9691 39.9313 174.0337 760 I 4.8339 7.7846 121.1167 59.5360 39.8118 174.7727 761 L 5.0884 8.7075 126.2549 53.0465 44.8533 175.5109 762 V 4.6875 8.4243 121.5909 61.2128 34.7091 175.1960 763 N 4.9451 8.4131 125.9108 51.3441 39.6888 175.8441 764 S 4.0624 8.4001 112.3548 61.3037 62.9817 174.7807 765 N 4.6085 8.1388 116.0972 52.7706 38.3134 175.3557 766 L 3.5342 7.7734 116.7506 54.8716 40.0250 174.7264 767 V 3.6680 8.4318 120.4321 62.9349 31.9623 174.3262 768 C 5.2310 8.3957 124.3422 58.1519 29.9724 173.2525 769 K 4.7531 8.8329 122.2878 54.2463 36.0125 175.9187 770 V 3.9596 8.9660 125.3326 63.3072 32.5331 175.0783 771 S 4.8424 7.9293 122.4562 57.6133 65.7332 172.0888 772 D 4.1651 7.5710 111.6889 55.8506 39.4742 176.4329 773 F 4.5056 7.5046 121.5484 55.8908 38.5561 174.8536 *797 P 4.8467 0.0000 0.0000 62.6166 34.2059 179.5893 798 I 3.7456 8.2291 119.2109 64.5811 36.9441 177.7209 799 R 4.0610 8.0944 111.8076 56.7579 29.0890 176.5560 800 W 4.7881 8.8051 118.6185 56.9419 31.1195 175.2679 801 T 4.6059 7.8068 115.3240 61.6885 69.5741 174.7282 802 A 2.5800 7.9728 127.7803 50.6868 19.4473 176.3829 803 P 3.9122 0.0000 0.0000 66.0814 31.4853 179.1786 804 E 4.2775 7.9248 115.8768 59.0671 29.3008 179.0713 805 A 4.0077 7.4284 122.2689 53.6708 18.1181 179.5593 806 I 3.6995 7.0873 117.0857 63.9318 37.7332 177.7938 807 Q 3.8571 8.1358 119.4269 58.9002 28.9173 176.5009 808 Y 4.4874 7.6095 114.5870 56.8417 38.3093 176.1238 809 R 4.7693 7.6516 116.1467 55.9283 27.9620 176.4077 810 K 4.3932 7.2943 117.7860 55.1441 32.0912 175.7306 811 F 4.8995 8.7703 123.3987 55.8058 40.7480 175.5441 812 T 4.7862 8.0806 113.7869 59.2238 72.0097 174.6882 813 S 4.3121 8.7495 116.6027 61.5579 62.0776 176.7817 814 A 4.0353 7.8390 123.1985 54.9355 17.9249 179.6063 815 S 4.1668 8.2830 112.0495 61.6692 62.4802 176.1317 816 D 4.6280 8.1989 121.2987 57.3500 40.6428 178.5639 817 V 3.5419 8.0218 118.9449 65.6949 31.5210 177.8802 818 W 4.6461 8.0788 128.5679 60.2498 30.5761 178.1462 819 S 4.8199 8.3308 116.6362 61.4499 62.2345 175.9999 820 Y 4.2189 9.0042 122.8381 60.6019 38.5458 178.4080 821 G 3.2735 8.4154 106.7663 47.7763 0.0000 175.7052 822 I 4.0571 7.9987 122.0191 64.2217 37.1198 178.6265 823 V 3.8971 8.0957 119.1418 66.2954 31.1842 177.9037 824 M 3.8176 7.8669 118.5837 58.0386 31.7561 178.5122 825 W 3.9816 8.1408 128.2773 60.5040 30.9310 177.6988 826 E 3.8961 8.7006 118.8900 59.5014 28.9230 179.6690 827 V 3.4149 8.0968 118.4735 66.2765 31.4224 178.0468 828 M 3.9841 7.9126 116.9996 57.3962 31.6142 177.8135 829 S 4.2733 7.5013 114.2303 57.0019 63.5891 173.4671 830 Y 3.2093 8.3361 118.5504 59.2447 35.4824 171.4524 831 G 3.9613 8.7204 104.8552 45.3786 0.0000 173.4274 832 E 4.1230 7.2995 118.6733 55.7307 30.4221 176.3479 833 R 4.2679 8.5127 124.0863 55.0014 30.9063 174.1173 834 P 3.5632 0.0000 0.0000 64.0052 31.8568 175.7658 835 Y 3.1271 6.5409 118.4448 57.2819 36.2371 170.3669 836 W 3.5171 6.7747 121.5095 58.1571 28.7714 177.4155 837 D 4.5944 9.2713 125.3311 57.4976 40.4241 176.1725 838 M 3.9175 7.5643 118.0370 55.8824 32.7465 176.3094 839 T 4.4807 8.2376 117.8338 62.2509 70.4454 176.0919 840 N 4.6203 8.1986 119.8711 53.3632 37.7524 177.2929 *842 D 4.4925 8.1792 119.3410 54.5710 43.3577 178.7842 843 V 3.1342 7.8495 118.0664 65.9643 31.3142 178.0069 844 I 3.5505 7.1878 119.5071 64.4958 36.9120 178.2626 845 N 4.2732 7.9811 116.4673 56.1431 38.3822 177.1277 846 A 3.9555 8.2370 122.5865 55.3556 18.2471 179.7339 847 I 3.7313 7.8469 117.4657 64.5593 37.3755 178.2636 848 E 4.1888 7.8875 119.6197 59.3119 29.0152 178.7187 849 Q 4.1239 7.7352 114.6701 55.6212 28.6514 175.6554 850 D 4.5022 7.8812 117.9421 55.4869 38.9780 173.3534 851 Y 4.5099 8.1263 119.4592 57.2038 39.5999 174.8706 852 R 4.0165 7.1041 123.5601 53.6895 34.2013 175.0626 853 L 3.4677 7.3380 121.8115 54.4354 41.8501 175.6517 854 P 4.6499 0.0000 0.0000 61.2760 32.3191 174.0793 855 P 4.3923 0.0000 0.0000 61.8510 31.9778 174.7171 856 P 4.4438 0.0000 0.0000 62.1377 31.9748 175.2001 857 M 4.2415 8.3431 119.6810 57.1455 32.4162 175.6429 858 D 4.4732 8.8211 123.7187 55.0860 38.5900 172.8351 859 C 4.3504 7.8188 120.0574 57.7737 32.1739 172.3284 860 P 4.3530 0.0000 0.0000 62.9273 32.7877 177.4705 861 S 4.1443 8.7688 117.5402 61.7922 62.8347 176.9207 862 A 4.0027 7.9618 122.8549 55.1753 18.2578 179.5407 863 L 3.8918 7.7987 116.9897 58.2099 41.7062 179.0832 864 H 4.1526 8.0802 118.0790 59.0370 29.6717 177.0614 865 Q 3.8139 8.0893 121.6026 59.0778 28.8863 178.0887 866 L 3.9476 7.7691 121.2498 58.1981 42.0919 178.9685 867 M 3.2296 7.4187 118.3992 57.9780 31.5440 178.5210 868 L 3.8029 7.2811 117.9673 57.8818 41.8408 178.9614 869 D 4.4320 8.0259 118.8402 57.7489 40.6547 178.8363 870 C 4.2428 7.6447 116.6649 61.3980 27.8681 174.3973 871 W 4.1330 7.0129 119.8322 55.3586 30.3074 176.3490 872 Q 4.3066 7.8565 118.1969 55.3444 29.1703 175.9888 873 K 4.0080 9.2064 124.8459 59.5013 32.3003 176.1118 874 D 4.6681 8.0765 120.5413 52.8165 41.2536 176.6098 875 R 4.0024 8.7749 124.4671 59.3268 29.4293 178.6229 876 N 4.3743 7.6961 115.1032 56.0888 38.5511 175.6633 877 H 4.5265 8.1901 113.6872 56.5686 29.3509 176.0011 878 R 4.3917 7.6529 118.7690 54.4150 30.4672 174.8972 879 P 4.5043 0.0000 0.0000 62.5856 32.2212 176.7049 880 K 4.1737 8.9035 119.5896 55.5344 34.3930 178.3120 881 F 4.0302 8.4491 120.1990 60.6825 38.8600 178.2385 882 G 3.6512 8.1257 104.8756 48.0493 0.0000 175.6394 883 Q 4.0139 7.9508 120.1219 58.4396 28.7160 178.5567 884 I 3.5828 7.7332 121.0221 64.3491 37.1690 178.4555 885 V 3.5515 7.8742 118.9804 66.1634 31.3854 177.6045 886 N 4.2993 7.9916 115.7980 56.7626 38.4325 177.5047 887 T 3.8420 8.1123 117.0722 66.6655 68.5675 176.7689 888 L 4.0198 8.1141 120.9810 57.9779 41.7026 179.3647 889 D 4.4089 8.6342 119.1828 57.0137 40.6699 178.8634 890 K 3.9542 7.9225 120.3264 59.5883 32.0130 178.7534 891 M 4.1279 7.7628 119.2019 57.9783 31.9801 178.4742 892 I 3.8578 7.5550 118.5656 64.4855 37.3230 178.4362 893 R 4.2036 7.7712 117.8521 57.7333 31.2699 176.9030 894 N 4.9518 8.3324 117.3538 49.8614 38.5914 172.8760 895 P 4.2795 0.0000 0.0000 65.6925 31.7107 177.4702 896 N 4.4305 8.1945 114.8298 55.9216 38.1260 177.0664 897 S 4.2532 8.3274 115.7288 60.6346 62.7800 175.8732 898 L 4.2348 7.6702 121.5254 55.9934 41.7805 176.6667 899 K 4.0991 7.7804 122.6928 56.7754 32.0090 176.4742 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 602 K 8.31 4.34 0.00 1.80 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.48 7.81 603 I 7.86 4.55 1.91 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 1.30 1.09 0.94 0.00 0.00 604 F 10.17 4.61 0.00 3.25 3.26 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 0.00 605 I 7.89 4.15 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 1.07 0.00 0.00 606 D 8.27 4.14 0.00 2.75 2.60 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 0.00 0.00 0.00 0.00 607 P 0.00 3.98 0.00 2.09 1.92 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 608 F 8.81 4.96 0.00 3.13 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 0.00 609 T 8.15 4.50 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 1.35 0.00 0.00 610 F 8.30 4.32 0.00 3.15 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 0.00 611 E 8.94 4.03 0.00 1.98 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 2.29 2.23 0.00 612 D 7.85 4.72 0.00 2.68 2.56 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 0.00 0.00 0.00 613 P 0.00 3.96 0.00 2.20 2.26 0.00 3.65 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.26 0.00 614 N 8.33 4.41 0.00 3.06 2.86 0.00 0.00 6.81 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 0.00 615 E 9.18 3.98 0.00 2.08 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 2.38 2.43 0.00 616 A 7.49 3.32 0.54 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 0.00 0.00 617 V 7.50 3.41 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 1.00 0.00 0.00 0.85 0.00 0.00 618 R 7.48 3.60 0.00 1.91 1.92 0.00 3.18 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 619 E 7.69 3.85 0.00 1.77 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 1.47 1.99 0.00 620 F 8.41 4.82 0.00 3.03 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 0.00 621 A 8.05 4.75 1.21 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 0.00 0.00 622 K 8.27 4.32 0.00 1.84 1.65 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.42 7.81 623 E 8.69 4.67 0.00 1.98 1.82 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 2.27 2.39 0.00 624 I 8.75 4.61 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 0.94 0.91 0.00 0.00 625 D 8.62 4.56 0.00 2.75 2.52 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 0.00 626 I 8.56 3.87 1.88 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 1.49 1.27 0.92 0.00 0.00 627 S 7.92 4.32 0.00 3.93 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 0.00 628 C 8.42 4.52 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 V 7.47 4.27 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 0.73 0.00 0.00 0.95 0.00 0.00 630 K 8.59 4.43 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.42 7.81 631 I 8.35 3.99 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.94 0.00 0.00 632 E 9.61 4.49 0.00 1.97 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 2.29 2.30 0.00 633 Q 7.41 4.66 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 634 V 8.37 4.36 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 0.93 0.00 0.00 1.00 0.00 0.00 635 I 8.83 4.49 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.99 0.00 0.00 636 G 7.50 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 0.00 637 A 8.67 4.95 1.20 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 0.00 0.00 638 G 9.08 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 0.00 0.00 0.00 0.00 639 E 8.77 4.02 0.00 1.77 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 0.00 1.47 2.00 0.00 640 F 8.18 4.78 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 0.00 641 G 7.42 4.74 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 0.00 0.00 0.00 642 E 7.47 4.97 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 643 V 8.53 4.82 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 0.89 0.00 0.00 1.01 0.00 0.00 644 C 9.65 5.40 0.00 2.86 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 0.00 645 S 8.68 4.98 0.00 3.90 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 0.00 646 G 8.20 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 0.00 647 H 8.98 5.51 0.00 2.94 3.11 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 L 8.61 5.34 0.00 1.73 1.43 1.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 649 K 8.36 4.77 0.00 1.70 1.57 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 *654 R 8.45 3.96 0.00 1.82 1.88 0.00 3.30 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 655 E 8.63 4.25 0.00 1.90 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 2.15 2.34 0.00 656 I 8.15 4.63 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.96 0.00 0.00 657 F 8.60 4.83 0.00 2.99 2.60 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 0.00 0.00 0.00 0.00 658 V 8.95 4.93 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 0.70 0.00 0.00 0.99 0.00 0.00 659 A 9.27 5.22 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 0.00 660 I 9.19 5.02 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.97 0.00 0.00 661 K 9.13 5.19 0.00 1.94 1.99 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 662 T 8.88 4.95 4.25 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 1.26 0.00 0.00 663 L 9.19 3.94 0.00 0.44 1.35 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 664 K 8.06 4.16 0.00 1.99 1.52 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.52 7.81 665 S 9.65 4.74 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 666 G 8.66 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 0.00 0.00 0.00 667 Y 6.65 4.35 0.00 3.12 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 0.00 668 T 8.29 4.50 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 1.28 0.00 0.00 669 E 8.68 4.09 0.00 2.16 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 2.46 0.00 670 K 8.03 3.95 0.00 1.89 1.85 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.56 7.81 671 Q 8.42 4.19 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.77 0.00 672 R 8.01 3.62 0.00 1.24 2.00 0.00 2.99 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 673 R 7.81 3.86 0.00 2.10 2.07 0.00 2.96 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 674 D 8.46 4.58 0.00 2.73 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 0.00 675 F 7.66 3.56 0.00 1.88 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 0.00 676 L 7.97 3.85 0.00 1.74 1.58 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 677 S 7.79 4.52 0.00 3.83 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 0.00 678 E 7.69 3.86 0.00 1.98 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 0.00 2.31 2.29 0.00 679 A 7.51 3.87 1.21 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 0.00 0.00 680 S 8.01 4.09 0.00 4.04 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 0.00 681 I 7.60 3.60 1.87 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 1.68 0.67 0.63 0.00 0.00 682 M 7.88 3.41 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 683 G 7.65 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 0.00 0.00 0.00 684 Q 7.01 3.76 0.00 0.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.63 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 685 F 6.54 5.33 0.00 2.94 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 0.00 686 D 8.88 4.48 0.00 2.58 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 0.00 687 H 7.84 4.51 0.00 1.59 2.34 0.00 5.93 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 P 0.00 4.23 0.00 1.88 1.98 0.00 2.83 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 689 N 8.06 4.92 0.00 2.78 2.82 0.00 0.00 6.54 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 0.00 690 V 7.46 4.70 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.76 0.00 0.00 691 I 8.61 3.85 2.04 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 1.39 0.97 0.95 0.00 0.00 692 H 9.61 4.47 0.00 3.22 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 693 L 8.11 4.49 0.00 1.54 1.39 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 694 E 9.43 4.11 0.00 1.94 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 2.38 2.45 0.00 695 G 6.91 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 0.00 0.00 0.00 696 V 8.48 5.05 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 0.59 0.00 0.00 0.92 0.00 0.00 697 V 8.79 4.90 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 1.06 0.00 0.00 1.00 0.00 0.00 698 T 9.46 4.63 4.25 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 1.20 0.00 0.00 699 K 8.39 4.25 0.00 1.78 1.92 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.77 1.41 7.81 700 S 7.06 4.62 0.00 4.01 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 *702 P 0.00 4.71 0.00 2.25 2.20 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 703 V 8.39 4.72 1.87 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 0.90 0.00 0.00 0.78 0.00 0.00 704 M 8.59 6.23 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 705 I 8.53 4.76 1.76 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.52 0.79 0.00 0.00 706 I 8.91 5.11 1.88 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 1.32 0.65 0.99 0.00 0.00 707 T 8.87 5.23 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 1.21 0.00 0.00 708 E 8.58 4.44 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 806 I 7.09 3.70 1.81 0.00 0.00 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 1.46 0.60 0.83 0.00 0.00 807 Q 8.14 3.86 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.06 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 808 Y 7.61 4.49 0.00 3.18 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 0.00 809 R 7.65 4.77 0.00 2.02 2.18 0.00 3.32 0.00 0.00 3.91 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 810 K 7.29 4.39 0.00 1.62 1.74 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.55 7.81 811 F 8.77 4.90 0.00 2.97 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 0.00 812 T 8.08 4.79 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 1.25 0.00 0.00 813 S 8.75 4.31 0.00 3.99 4.20 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 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0.00 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 1.91 1.24 0.54 0.00 0.00 823 V 8.10 3.90 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 0.95 0.00 0.00 1.08 0.00 0.00 824 M 7.87 3.82 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 825 W 8.14 3.98 0.00 3.58 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 E 8.70 3.90 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 827 V 8.10 3.41 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 0.84 0.00 0.00 0.89 0.00 0.00 828 M 7.91 3.98 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.78 0.00 829 S 7.50 4.27 0.00 3.08 3.24 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 0.00 830 Y 8.34 3.21 0.00 3.05 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 0.00 831 G 8.72 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 0.00 832 E 7.30 4.12 0.00 1.93 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 2.61 2.46 0.00 833 R 8.51 4.27 0.00 2.01 1.88 0.00 3.36 0.00 0.00 3.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 834 P 0.00 3.56 0.00 1.23 1.17 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.04 0.00 835 Y 6.54 3.13 0.00 2.98 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 0.00 836 W 6.77 3.52 0.00 3.64 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 0.00 837 D 9.27 4.59 0.00 2.76 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 0.00 838 M 7.56 3.92 0.00 2.02 2.37 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 839 T 8.24 4.48 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 1.21 0.00 0.00 840 N 8.20 4.62 0.00 2.77 2.79 0.00 0.00 6.77 8.08 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 *842 D 8.18 4.49 0.00 2.99 2.66 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 0.00 843 V 7.85 3.13 1.77 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 0.04 0.00 0.00 0.69 0.00 0.00 844 I 7.19 3.55 1.77 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 1.40 0.96 0.81 0.00 0.00 845 N 7.98 4.27 0.00 2.78 2.81 0.00 0.00 6.99 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 0.00 846 A 8.24 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 847 I 7.85 3.73 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.77 0.96 0.00 0.00 848 E 7.89 4.19 0.00 2.11 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 2.57 2.45 0.00 849 Q 7.74 4.12 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 850 D 7.88 4.50 0.00 2.90 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 0.00 851 Y 8.13 4.51 0.00 2.90 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 0.00 852 R 7.10 4.02 0.00 1.65 1.73 0.00 3.33 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 853 L 7.34 3.47 0.00 0.85 0.56 -1.11 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 854 P 0.00 4.65 0.00 2.36 2.23 0.00 3.88 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 2.47 2.36 0.00 855 P 0.00 4.39 0.00 2.17 1.85 0.00 3.78 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 1.99 1.92 0.00 856 P 0.00 4.44 0.00 2.03 1.66 0.00 3.60 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.19 0.00 857 M 8.34 4.24 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 858 D 8.82 4.47 0.00 2.90 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 0.00 859 C 7.82 4.35 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 P 0.00 4.35 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 861 S 8.77 4.14 0.00 3.86 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 0.00 862 A 7.96 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 L 7.80 3.89 0.00 1.87 1.69 0.89 0.99 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 0.00 864 H 8.08 4.15 0.00 3.14 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 Q 8.09 3.81 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 866 L 7.77 3.95 0.00 1.74 1.73 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 867 M 7.42 3.23 0.00 0.51 1.59 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 868 L 7.28 3.80 0.00 1.59 1.65 0.87 1.08 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 0.00 869 D 8.03 4.43 0.00 2.75 2.62 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 0.00 870 C 7.64 4.24 0.00 2.54 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 0.00 871 W 7.01 4.13 0.00 3.07 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 0.00 0.00 0.00 872 Q 7.86 4.31 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 873 K 9.21 4.01 0.00 1.82 1.94 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 874 D 8.08 4.67 0.00 2.86 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 0.00 875 R 8.77 4.00 0.00 2.06 2.22 0.00 3.01 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 876 N 7.70 4.37 0.00 2.90 2.85 0.00 0.00 7.01 8.04 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 0.00 877 H 8.19 4.53 0.00 3.25 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 878 R 7.65 4.39 0.00 1.88 1.87 0.00 3.55 0.00 0.00 3.73 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 879 P 0.00 4.50 0.00 2.05 1.97 0.00 3.75 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 1.83 1.87 0.00 880 K 8.90 4.17 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.58 7.81 881 F 8.45 4.03 0.00 3.12 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 0.00 882 G 8.13 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 0.00 0.00 0.00 883 Q 7.95 4.01 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 884 I 7.73 3.58 1.87 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 1.24 0.54 0.64 0.00 0.00 885 V 7.87 3.55 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 1.01 0.00 0.00 0.98 0.00 0.00 886 N 7.99 4.30 0.00 3.03 2.84 0.00 0.00 7.10 6.81 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 0.00 887 T 8.11 3.84 4.36 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 1.18 0.00 0.00 888 L 8.11 4.02 0.00 1.83 1.73 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 889 D 8.63 4.41 0.00 2.90 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 0.00 890 K 7.92 3.95 0.00 2.04 1.93 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 891 M 7.76 4.13 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.44 0.00 892 I 7.55 3.86 2.01 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 1.52 0.60 0.91 0.00 0.00 893 R 7.77 4.20 0.00 2.06 1.99 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 894 N 8.33 4.95 0.00 2.77 2.71 0.00 0.00 7.00 8.07 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 0.00 895 P 0.00 4.28 0.00 2.15 2.12 0.00 3.60 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 2.12 2.36 0.00 896 N 8.19 4.43 0.00 2.73 2.87 0.00 0.00 6.92 7.57 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 0.00 897 S 8.33 4.25 0.00 4.03 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 0.00 898 L 7.67 4.23 0.00 1.79 1.76 0.92 0.71 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 0.00 899 K 7.78 4.10 0.00 1.85 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.