NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 621 S 4.1871 8.3344 115.2722 58.0544 64.3278 173.7256 622 K 3.8629 7.6318 127.1218 55.3014 32.6826 171.8921 623 E 4.4877 9.5558 130.6189 56.4585 30.7902 175.4399 624 I 4.6390 8.8442 127.1379 59.2450 40.4543 175.0510 625 D 4.4543 8.6278 125.8951 53.7108 42.0899 176.7874 626 I 3.6517 8.5423 126.2582 64.1341 38.0332 177.3340 627 S 4.3632 7.8684 112.7280 59.9250 62.9537 174.4148 628 C 4.4032 8.3642 119.2401 60.0392 28.7440 173.1588 629 V 4.5790 7.5804 122.1375 61.4253 32.8460 175.8243 630 K 4.5547 8.4595 129.4830 52.9848 34.4502 173.5549 631 I 3.7945 8.3989 127.2952 61.1158 37.0384 175.8494 632 E 4.6168 9.3203 125.8007 57.5290 32.4124 176.7020 633 Q 4.5205 7.5652 118.6398 54.7747 32.6920 173.6270 634 V 4.1557 8.6425 127.6300 63.0876 31.8069 175.3318 635 I 4.5178 8.5986 120.5319 60.5388 39.2075 174.8027 636 G 4.1527 7.3982 108.5620 46.1262 0.0000 171.6485 637 A 5.0826 8.7996 120.9063 49.9704 21.6353 176.1575 638 G 4.1876 9.4906 113.6003 43.7617 0.0000 174.8409 639 E 3.8729 8.7386 115.3445 58.0516 29.7971 178.4118 640 F 4.7679 9.3524 114.0001 57.0220 40.2296 175.9665 641 G 3.9466 7.0362 108.7169 44.5595 0.0000 171.6643 642 E 4.6894 8.0524 117.4418 56.1398 31.5917 175.8208 643 V 4.7719 8.6804 120.5903 61.6404 34.1402 174.7572 644 C 5.1464 9.2473 125.8218 58.2844 31.6217 172.2946 645 S 4.8648 8.6086 113.7428 56.7826 65.6372 173.6230 646 G 3.8289 6.6489 109.2190 46.8299 0.0000 171.2865 647 H 5.5320 7.9295 116.0812 53.8150 32.5123 173.5556 648 L 5.0517 8.9738 122.8135 53.2844 44.8557 175.0715 649 K 4.5938 9.0674 128.6738 54.8813 33.5722 175.1353 650 L 4.6322 8.2244 127.4355 52.0090 43.6052 174.7151 651 P 4.3408 0.0000 0.0000 64.4979 31.4470 176.9821 652 G 3.9706 9.0344 110.5329 45.5109 0.0000 172.9611 653 K 4.6487 7.8383 117.8505 53.9347 35.4577 176.2671 654 R 4.0885 8.3615 122.0937 55.6868 30.7968 175.7609 655 E 4.4362 8.7059 124.8742 56.9465 30.1543 175.8493 656 I 4.8433 8.6234 118.7460 59.0135 41.7373 173.7158 657 F 4.9338 8.8123 125.5666 57.6826 40.4468 174.9325 658 V 4.7106 8.5492 118.2042 59.7808 36.7649 173.7103 659 A 5.1343 8.7654 122.5206 50.5053 21.9350 176.2156 660 I 4.4914 8.7343 121.7305 59.4712 40.3060 174.6762 661 K 4.7769 8.9626 128.2230 55.7833 33.3230 176.9616 662 T 5.1214 8.8411 115.5901 59.9662 71.7762 173.3610 663 L 4.3746 7.5928 123.7698 52.6208 43.4602 176.1202 664 K 4.0032 9.0081 129.0274 57.5145 32.6951 178.0600 665 S 4.2889 8.6205 119.8053 59.5001 62.8366 173.2983 666 G 3.7813 8.5508 109.7599 46.2937 0.0000 173.4368 667 Y 4.4410 7.2575 116.5391 56.0887 39.5058 175.6494 668 T 4.3498 8.2916 112.2639 61.1237 71.1220 175.4070 669 E 4.2104 8.8069 123.6860 59.7138 29.5712 179.4990 670 K 4.1363 8.0688 123.6632 59.5857 31.8914 183.3289 671 Q 4.2947 8.2193 118.8129 59.0018 28.6777 178.7600 672 R 3.6228 8.1048 121.9010 59.7453 30.1218 179.4644 673 R 3.8930 7.6531 119.8050 61.7324 29.3083 180.8461 674 D 4.5788 8.0217 118.6908 56.9271 40.8340 178.5054 675 F 3.5755 7.9659 121.4600 61.0614 39.2979 177.2411 676 L 3.8168 8.2417 120.8036 57.6515 41.3962 180.3309 677 S 4.0570 7.6318 119.1750 63.4002 62.2109 181.0513 678 E 4.5455 7.9685 124.3179 58.5356 29.1325 179.0077 679 A 3.8644 7.5854 120.4891 55.1610 18.1889 179.8328 680 S 3.9793 7.7645 112.3025 61.7737 63.2292 176.5072 681 I 3.5765 7.6276 122.8606 64.2104 36.8644 178.2437 682 M 3.8299 7.8466 117.9072 57.7648 30.6395 178.1600 683 G 3.5748 7.2873 104.8984 46.4196 0.0000 175.0185 684 Q 3.9303 7.5735 119.6316 56.5073 28.9865 175.9845 685 F 5.0782 6.1272 118.0808 56.8345 40.6550 175.9868 686 D 4.6573 8.3682 118.1199 54.0392 43.1212 173.6098 687 H 4.6053 7.4896 121.8097 52.5857 33.3147 172.3538 688 P 4.2483 0.0000 0.0000 65.0157 31.4476 176.6649 689 N 4.9980 7.8716 115.9430 52.7175 38.8883 173.5660 690 V 4.8942 7.5282 117.9063 60.7637 34.4598 175.2579 691 I 3.8452 8.4362 128.1426 62.7042 37.7944 174.8781 692 H 4.6122 9.7679 127.5842 55.3702 31.2430 173.4457 693 L 4.5819 8.1127 127.4377 54.1783 42.6673 175.6536 694 E 4.1895 9.1806 126.0159 56.6499 30.9044 176.7087 695 G 3.8669 6.8571 104.6393 46.0187 0.0000 170.9931 696 V 4.7256 7.7232 111.1672 59.6502 35.8693 174.6510 697 V 4.7042 8.7042 121.3359 61.5389 33.3357 175.9209 698 T 4.2484 10.1538 119.7907 63.5226 70.5524 176.7346 699 K 4.0202 8.4944 121.5889 56.0747 31.8447 177.6321 700 S 4.7528 7.8703 110.4754 58.1188 65.9615 172.7532 701 T 4.6248 7.7681 115.9913 61.4251 70.8155 172.4897 702 P 4.7090 0.0000 0.0000 61.2341 33.0765 175.6227 703 V 3.9996 8.0147 119.0636 63.6878 32.5143 174.6166 704 M 5.2920 9.2501 125.7789 53.8042 37.1885 174.3046 705 I 4.6604 8.8461 121.0106 59.8112 40.7891 174.4929 706 I 5.5251 8.6531 128.8439 59.3126 39.2105 175.3111 707 T 5.2983 8.2019 116.0388 59.2188 72.8386 172.7347 708 E 4.4949 8.6049 119.7010 56.4431 30.3004 176.4541 709 F 4.4287 8.7446 123.1374 57.5177 40.6750 175.3018 710 M 4.3250 7.0560 126.4626 52.9746 33.1303 175.5436 711 E 3.8824 8.7790 124.8360 59.5372 29.6478 177.9821 712 N 4.5681 7.6806 112.2681 52.3223 39.0919 177.4609 713 G 3.6178 7.8807 108.4054 46.1259 0.0000 173.1518 714 S 4.6254 8.4236 116.1173 58.5968 64.5832 174.7820 715 L 4.1159 8.9757 128.4484 58.2691 42.0108 179.2221 716 D 4.4499 8.1225 118.6264 56.7742 39.5258 178.7007 717 S 4.2030 8.0978 116.4026 60.9442 62.7240 176.0938 718 F 4.3785 8.2971 122.3783 61.5120 39.5039 176.8358 719 L 4.2216 8.5003 118.8423 58.0703 41.2637 179.8830 720 R 4.1960 7.9062 116.4792 58.7935 30.0040 178.0935 721 Q 4.4653 7.5507 115.3158 55.6557 29.6109 175.8524 722 N 4.7177 8.1013 118.8859 51.1188 39.8051 174.2507 723 D 3.7600 8.2272 116.7903 56.0555 41.5779 175.4697 724 G 3.6069 5.3800 112.6953 46.3692 0.0000 172.8693 725 Q 4.3110 7.0680 115.0754 55.0641 28.7608 175.4447 726 F 5.3062 7.9624 116.0127 55.8718 42.8667 174.6679 727 T 4.5315 8.3549 112.1746 60.4420 70.4732 175.7736 728 V 3.5430 8.6137 122.8474 66.7305 31.3883 178.3262 729 I 3.7277 7.7384 117.4807 64.0902 37.7597 177.7750 730 Q 3.9857 8.2994 119.2406 58.7296 28.5258 178.6717 731 L 3.8606 7.7711 119.5280 57.8734 41.8273 179.5757 732 V 3.7436 8.2285 118.5098 65.8236 31.2247 178.2712 733 G 3.6179 7.9105 105.4775 47.7597 0.0000 175.8044 734 M 4.0779 7.6883 121.1563 58.2290 31.9310 178.7979 735 L 4.0936 7.9780 119.2094 57.8015 41.6780 179.6087 736 R 4.0568 8.2621 118.9647 59.2145 30.1086 178.8283 737 G 3.5858 7.9794 105.4004 47.7474 0.0000 175.8303 738 I 3.7227 8.0199 122.1161 64.1202 37.2290 178.2650 739 A 3.6523 8.4862 121.7165 55.0486 18.0877 179.4948 740 A 4.0100 8.3729 119.5756 55.3438 18.4141 180.1398 741 G 3.4623 7.9651 103.9916 48.1798 0.0000 175.9062 742 M 3.6959 7.9709 121.3076 57.5795 31.6661 178.6446 743 K 3.8778 8.1782 120.2128 59.6002 32.3638 177.9851 744 Y 3.9411 7.9522 119.6288 60.8715 38.6530 178.0190 745 L 3.7286 8.2375 119.8253 57.7936 41.6348 179.5391 746 A 4.0639 8.4146 120.9311 55.3554 18.1337 179.4457 747 D 4.3147 8.0288 116.4788 57.5850 40.9255 178.2053 748 M 4.2339 7.6078 115.6639 54.7481 32.2142 175.8118 749 N 4.2554 8.1830 115.7418 54.8099 36.7639 173.8502 750 Y 4.6492 8.4107 118.8096 55.7256 40.5697 174.5188 751 V 4.1780 7.7471 127.3532 61.7358 32.8526 174.9209 752 H 3.9631 9.9613 128.1465 59.3595 29.8974 177.6995 753 R 4.4416 9.0375 116.0272 56.3677 29.3460 176.5990 754 A 4.7518 7.5688 119.4498 51.3117 19.5995 175.6718 755 L 3.9021 8.3506 121.8335 56.8236 42.7290 175.9286 756 A 4.5071 8.2209 126.0316 50.9057 22.0069 176.2942 757 A 4.1032 9.1020 124.3857 55.4451 18.5164 180.7605 758 R 4.5219 7.7760 109.8246 58.3188 29.8097 176.9572 759 N 4.7280 8.4493 115.9543 52.9057 38.8438 173.7458 760 I 4.9186 7.6269 120.1410 59.4900 40.2413 174.6154 761 L 5.1398 8.6853 125.7712 52.9986 44.6206 175.5682 762 V 4.8209 8.3615 121.5887 61.2515 34.8794 174.6971 763 N 4.9673 8.0516 124.1096 51.2431 40.0603 175.0871 764 S 4.0533 8.8665 113.7300 62.2965 62.6842 175.2737 765 N 4.6601 8.6532 115.8679 52.9812 38.1145 176.1570 766 L 3.7759 8.0268 116.5259 55.0693 40.0120 174.4968 767 V 3.7602 7.3414 120.4425 63.1409 32.2170 174.9556 768 C 5.0265 8.5928 125.4425 58.8313 29.9331 173.2412 769 K 4.7664 8.6970 120.4354 54.6404 36.5588 175.9373 770 V 4.1241 8.9997 125.1845 63.1570 32.8156 175.3048 771 S 4.7618 7.9011 120.6192 58.1787 66.3356 170.1540 772 D 4.5273 9.0937 122.9257 54.6442 38.1837 173.7173 773 F 4.9272 9.0836 128.6189 56.4593 39.5481 178.0451 774 G 3.6526 6.9772 110.8599 47.9989 0.0000 173.0979 *797 P 4.4330 0.0000 0.0000 61.4382 32.5243 177.0556 798 I 3.6586 7.8836 126.8691 65.4956 37.6136 178.7282 799 R 3.9696 8.0237 111.3419 56.9781 28.9371 176.7192 800 W 4.7677 8.3884 117.6583 56.8345 31.3583 175.3295 801 T 4.6313 8.0201 114.9772 61.9304 69.7149 175.0997 802 A 2.5800 7.8014 125.6510 50.2854 20.6309 176.8946 803 P 3.8104 0.0000 0.0000 65.8751 31.3067 178.9403 804 E 4.0366 7.8560 116.1564 59.5154 29.5462 179.2597 805 A 3.5707 7.4446 120.1188 54.6679 18.0625 179.7274 806 I 3.5183 7.1183 117.7268 64.6147 37.3330 178.2380 807 Q 3.8778 7.8448 117.5863 57.5108 28.5747 176.4780 808 Y 4.7630 7.2077 114.2376 56.6506 39.2764 175.3425 809 R 4.2412 7.7214 116.1490 56.1987 27.7245 177.6163 810 K 4.3445 7.7234 117.6495 55.1385 30.9795 174.7188 811 F 4.5091 8.4067 120.8483 56.3028 40.2278 175.4753 812 T 4.8174 9.0069 115.0440 59.1474 72.2217 174.8962 813 S 4.3520 8.7567 116.5149 61.5998 62.4671 176.7804 814 A 4.0566 7.7586 123.4442 54.8797 18.0607 179.7237 815 S 4.2766 8.2270 113.0257 61.5590 63.2158 176.4805 816 D 4.6752 8.2077 122.1684 57.1638 40.5441 178.6728 817 V 3.4779 7.8154 119.0619 65.4736 31.3744 177.6834 818 W 4.5757 8.0987 129.5717 60.1245 30.4489 178.0554 819 S 4.7498 8.5024 116.2795 61.5297 62.3110 175.8570 820 Y 4.3196 8.8927 122.7702 60.8309 38.4137 178.6079 821 G 3.3736 8.5814 106.7926 47.8292 0.0000 175.6890 822 I 3.9931 7.9468 122.3863 64.2261 37.1734 178.6521 823 V 3.9309 8.3663 119.3573 66.3926 31.2310 178.0054 824 M 3.8783 7.9685 118.6372 58.0329 31.2326 178.5354 825 W 4.0612 8.2480 128.5107 60.3202 30.8083 177.9928 826 E 4.0181 8.5325 118.9802 59.1494 28.9489 179.4207 827 V 3.4313 7.7538 118.3297 66.2164 31.4809 177.8164 828 M 3.9860 7.6697 115.8495 57.0261 32.4730 177.0578 829 S 4.2586 7.1904 113.3140 57.4086 64.0357 173.0996 830 Y 3.4887 7.8707 117.4072 59.1362 35.0680 169.9711 831 G 3.9147 8.4910 100.5339 46.6945 0.0000 172.5806 832 E 4.4410 7.2991 117.6684 54.2969 30.9581 175.6285 833 R 4.1311 8.6079 125.1974 55.4249 30.5698 174.1355 834 P 3.1893 0.0000 0.0000 64.0815 31.7548 175.8699 835 Y 2.9046 6.3282 117.8980 57.0786 36.4388 170.6005 836 W 3.4924 6.7928 122.0233 58.3209 28.9178 175.3382 837 D 4.7715 9.1919 126.1571 54.8708 38.9311 176.3964 838 M 4.2208 8.0543 120.3401 55.7925 32.5637 176.8590 839 T 4.3238 8.2704 112.4119 60.9124 71.4295 175.7952 840 N 4.1713 8.5138 118.5741 56.6798 38.5634 177.4793 841 Q 3.8670 7.9318 120.2868 59.0525 29.2175 177.6794 842 D 4.2865 7.9485 120.1807 57.1289 40.8203 178.7944 843 V 3.1123 7.8247 118.9221 65.9781 31.5170 177.8746 844 I 3.5349 7.6524 119.5463 64.5772 36.9439 178.1977 845 N 4.2454 8.5937 117.0514 56.1197 38.3264 177.1760 846 A 3.9180 8.2800 122.4349 55.4395 18.5078 179.7155 847 I 3.7616 8.1554 118.5201 64.7197 36.9473 178.5580 848 E 4.0496 8.1406 118.3493 58.7221 29.2107 177.8946 849 Q 4.4903 7.7028 118.0333 55.5755 29.8104 174.7872 850 D 4.5181 7.9379 115.1406 54.9082 39.0272 173.4744 851 Y 4.5033 8.1046 119.2540 57.3216 39.5911 174.9051 852 R 4.1360 6.7767 122.7793 53.7622 34.2549 175.1524 853 L 3.5987 7.5221 121.5444 54.4988 41.9246 175.7107 854 P 4.6112 0.0000 0.0000 61.4608 32.1405 174.4391 855 P 4.3717 0.0000 0.0000 61.8082 31.6462 175.2614 856 P 4.4543 0.0000 0.0000 62.2011 31.1124 175.1771 857 M 4.1075 8.3917 118.6829 56.8499 32.4163 175.8073 858 D 4.5739 8.7276 124.4144 55.3640 38.5443 172.6409 859 C 4.4130 7.3451 120.0819 57.1779 32.3721 171.7083 860 P 4.4568 0.0000 0.0000 62.8133 31.7233 177.1905 861 S 4.1403 8.7557 118.4127 61.7692 62.7088 176.7882 862 A 3.9858 7.9927 123.5390 55.0786 18.2091 179.4774 863 L 3.9190 7.9303 117.4361 58.1042 41.5839 179.2314 864 H 4.0953 8.1077 117.8276 59.1676 29.9076 176.8650 865 Q 3.7698 8.5839 121.8169 59.0749 28.8454 178.1514 866 L 4.3436 7.4955 122.2106 57.5812 42.1143 178.9709 867 M 3.1183 7.3518 118.5447 58.0206 31.5605 178.6315 868 L 3.8231 7.1871 117.7383 57.8033 41.9519 179.0901 869 D 4.3955 7.7248 118.8137 57.5464 40.5381 178.5659 870 C 4.1954 7.6003 116.7330 61.2419 27.8671 174.4932 871 W 3.6536 6.9369 119.8478 55.0960 30.2291 176.1746 872 Q 4.2908 8.0467 120.9536 56.0435 29.0183 176.7190 873 K 4.1565 9.2222 125.6305 57.8161 31.9806 173.0794 874 D 4.5863 8.1107 121.5083 53.1134 41.5995 176.6482 875 R 4.0320 8.8865 124.1698 59.5095 29.4288 178.6536 876 N 4.3834 8.2577 114.4790 56.0512 38.6064 175.2946 877 H 4.7099 8.0899 113.0245 56.0595 29.0294 175.5485 878 R 4.5231 7.6773 119.2492 54.5008 30.9953 174.7811 879 P 4.3644 0.0000 0.0000 62.4726 32.1618 177.0639 880 K 4.2584 8.1696 120.6550 55.2958 34.9343 178.1104 881 F 4.2105 8.6087 120.5655 60.7889 38.7941 178.5448 882 G 3.5971 8.0692 104.9511 47.9905 0.0000 175.7920 883 Q 4.0584 7.9971 120.3898 58.4384 28.7487 178.6357 884 I 3.6344 7.9598 121.2533 64.3752 37.1544 178.5735 885 V 3.5962 7.6830 118.7042 66.1683 31.4061 177.8790 886 N 4.4009 8.0042 115.7167 56.4863 37.8375 177.6546 887 T 3.9089 8.1451 117.4727 66.5793 68.6879 176.9161 888 L 4.0588 8.1147 120.9912 57.7747 41.5644 179.3535 889 D 4.3639 8.2641 119.0357 57.1846 40.5959 178.6627 890 K 3.9818 7.8400 118.7061 59.3015 32.2501 178.2663 891 M 4.2451 7.6403 118.4770 57.9358 31.8027 178.6145 892 I 3.7463 7.4509 119.2123 64.0336 37.4071 176.9213 893 R 4.4502 8.0355 114.6794 56.0513 29.9865 177.4494 894 N 5.0056 7.7803 114.5216 51.9989 40.8472 173.6190 895 P 4.2677 0.0000 0.0000 65.4577 32.5443 179.1265 896 N 4.4020 8.1990 115.6676 55.9935 38.7068 177.3322 897 S 4.1646 8.1410 112.4758 60.9430 63.1503 174.8280 898 L 4.4373 7.6745 122.2543 55.3891 41.3881 178.4066 899 K 4.1524 7.9782 121.8339 56.8800 32.4250 181.3928 900 A 4.2249 7.8130 122.8886 52.6013 18.9185 177.3704 901 M 4.4534 8.2782 119.3555 55.6736 33.1562 175.3721 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 621 S 8.33 4.19 0.00 3.75 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 0.00 622 K 7.63 3.86 0.00 1.92 1.66 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.47 7.81 623 E 9.56 4.49 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 2.28 2.40 0.00 624 I 8.84 4.64 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.91 0.00 0.00 625 D 8.63 4.45 0.00 2.75 2.53 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 0.00 626 I 8.54 3.65 1.88 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 1.48 1.06 0.92 0.00 0.00 627 S 7.87 4.36 0.00 4.01 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 0.00 628 C 8.36 4.40 0.00 3.10 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 0.00 629 V 7.58 4.58 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 0.73 0.00 0.00 0.93 0.00 0.00 630 K 8.46 4.55 0.00 1.45 1.66 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.25 7.81 631 I 8.40 3.79 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 1.35 1.22 0.91 0.00 0.00 632 E 9.32 4.62 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 633 Q 7.57 4.52 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 634 V 8.64 4.16 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 1.06 0.00 0.00 635 I 8.60 4.52 1.97 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 1.43 0.93 1.09 0.00 0.00 636 G 7.40 4.15 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 0.00 0.00 0.00 637 A 8.80 5.08 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 0.00 638 G 9.49 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 0.00 639 E 8.74 3.87 0.00 2.00 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 2.23 1.91 0.00 640 F 9.35 4.77 0.00 3.26 2.88 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 0.00 641 G 7.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 642 E 8.05 4.69 0.00 2.19 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 2.38 2.33 0.00 643 V 8.68 4.77 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 1.10 0.00 0.00 1.00 0.00 0.00 644 C 9.25 5.15 0.00 2.85 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 0.00 645 S 8.61 4.86 0.00 3.88 3.67 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 0.00 646 G 6.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 5.53 0.00 3.10 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 L 8.97 5.05 0.00 1.69 1.49 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 649 K 9.07 4.59 0.00 1.75 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.42 7.81 650 L 8.22 4.63 0.00 1.74 1.55 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 651 P 0.00 4.34 0.00 2.03 2.02 0.00 3.75 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 2.10 0.00 652 G 9.03 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 0.00 653 K 7.84 4.65 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.52 7.81 654 R 8.36 4.09 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 655 E 8.71 4.44 0.00 2.03 1.86 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 2.38 2.39 0.00 656 I 8.62 4.84 1.94 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 1.11 0.95 0.00 0.00 657 F 8.81 4.93 0.00 2.86 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 0.00 658 V 8.55 4.71 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 0.79 0.00 0.00 0.84 0.00 0.00 659 A 8.77 5.13 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 0.00 660 I 8.73 4.49 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.93 0.00 0.00 661 K 8.96 4.78 0.00 1.85 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.43 7.81 662 T 8.84 5.12 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 1.24 0.00 0.00 663 L 7.59 4.37 0.00 0.27 1.02 0.31 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 664 K 9.01 4.00 0.00 1.68 1.79 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.57 7.81 665 S 8.62 4.29 0.00 3.63 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 0.00 666 G 8.55 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 0.00 0.00 0.00 667 Y 7.26 4.44 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 T 8.29 4.35 4.30 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 1.26 0.00 0.00 669 E 8.81 4.21 0.00 2.15 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 2.41 2.47 0.00 670 K 8.07 4.14 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.09 7.81 671 Q 8.22 4.29 0.00 2.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 672 R 8.10 3.62 0.00 1.46 1.89 0.00 3.05 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.00 673 R 7.65 3.89 0.00 1.88 1.92 0.00 3.33 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 674 D 8.02 4.58 0.00 2.65 2.84 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 0.00 0.00 0.00 675 F 7.97 3.58 0.00 2.40 2.86 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 0.00 676 L 8.24 3.82 0.00 1.74 1.61 0.89 0.68 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 0.00 677 S 7.63 4.06 0.00 3.77 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 0.00 678 E 7.97 4.55 0.00 1.97 1.94 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 2.31 2.37 0.00 679 A 7.59 3.86 1.16 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 0.00 680 S 7.76 3.98 0.00 3.90 3.84 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 0.00 0.00 0.00 681 I 7.63 3.58 1.86 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 1.57 0.69 0.82 0.00 0.00 682 M 7.85 3.83 0.00 1.67 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 683 G 7.29 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 0.00 684 Q 7.57 3.93 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 685 F 6.13 5.08 0.00 2.90 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 0.00 686 D 8.37 4.66 0.00 2.60 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 7.49 4.61 0.00 1.46 2.46 0.00 5.92 0.00 0.00 0.00 0.00 6.60 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 4.25 0.00 2.08 2.03 0.00 2.89 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 689 N 7.87 5.00 0.00 2.86 2.92 0.00 0.00 6.53 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 7.53 4.89 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 0.85 0.00 0.00 0.87 0.00 0.00 691 I 8.44 3.85 2.03 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 1.36 0.99 0.94 0.00 0.00 692 H 9.77 4.61 0.00 3.20 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.77 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 4.58 0.00 1.54 1.37 0.94 0.88 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 0.00 694 E 9.18 4.19 0.00 2.00 1.96 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 2.29 2.41 0.00 695 G 6.86 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 0.00 696 V 7.72 4.73 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 0.68 0.00 0.00 0.93 0.00 0.00 697 V 8.70 4.70 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 1.11 0.00 0.00 1.01 0.00 0.00 698 T 10.15 4.25 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 0.00 699 K 8.49 4.02 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.02 7.81 700 S 7.87 4.75 0.00 3.93 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 0.00 701 T 7.77 4.62 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 1.25 0.00 0.00 702 P 0.00 4.71 0.00 2.16 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 703 V 8.01 4.00 1.83 0.00 0.00 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 0.00 0.00 0.75 0.00 0.00 704 M 9.25 5.29 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 705 I 8.85 4.66 1.76 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.73 0.78 0.00 0.00 706 I 8.65 5.53 1.85 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 0.90 0.47 0.89 0.00 0.00 707 T 8.20 5.30 4.38 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 1.19 0.00 0.00 708 E 8.60 4.49 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 709 F 8.74 4.43 0.00 3.08 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 0.00 710 M 7.06 4.32 0.00 2.00 1.69 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 2.46 2.29 0.00 711 E 8.78 3.88 0.00 2.10 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 0.00 2.38 2.59 0.00 712 N 7.68 4.57 0.00 2.22 1.84 0.00 0.00 7.25 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 0.00 713 G 7.88 3.62 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 0.00 0.00 0.00 714 S 8.42 4.63 0.00 3.91 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 0.00 715 L 8.98 4.12 0.00 1.84 1.94 1.05 1.00 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 0.00 716 D 8.12 4.45 0.00 3.02 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 0.00 717 S 8.10 4.20 0.00 3.97 4.05 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 0.00 718 F 8.30 4.38 0.00 3.24 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 0.00 719 L 8.50 4.22 0.00 1.79 1.75 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 720 R 7.91 4.20 0.00 1.93 2.04 0.00 3.22 0.00 0.00 3.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 721 Q 7.55 4.47 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.40 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 722 N 8.10 4.72 0.00 2.41 1.98 0.00 0.00 6.59 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 D 8.23 3.76 0.00 2.45 2.36 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 0.00 724 G 5.38 3.61 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 0.00 0.00 0.00 725 Q 7.07 4.31 0.00 1.65 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 726 F 7.96 5.31 0.00 3.26 2.88 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 0.00 727 T 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.16 0.00 0.00 824 M 7.97 3.88 0.00 1.93 2.08 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 2.06 2.26 0.00 825 W 8.25 4.06 0.00 3.63 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 E 8.53 4.02 0.00 2.36 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 2.79 2.74 0.00 827 V 7.75 3.43 1.95 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 0.86 0.00 0.00 0.92 0.00 0.00 828 M 7.67 3.99 0.00 1.91 1.88 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 2.53 2.71 0.00 829 S 7.19 4.26 0.00 3.24 3.31 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 0.00 830 Y 7.87 3.49 0.00 3.12 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 8.49 3.91 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 0.00 1.24 0.00 0.00 840 N 8.51 4.17 0.00 2.75 2.85 0.00 0.00 6.44 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 0.00 841 Q 7.93 3.87 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 842 D 7.95 4.29 0.00 2.94 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 0.00 843 V 7.82 3.11 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 -0.13 0.00 0.00 0.49 0.00 0.00 844 I 7.65 3.53 1.88 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 1.34 0.61 0.79 0.00 0.00 845 N 8.59 4.25 0.00 2.77 2.80 0.00 0.00 6.92 7.79 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 0.00 846 A 8.28 3.92 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 0.00 847 I 8.16 3.76 1.81 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 1.61 1.10 1.01 0.00 0.00 848 E 8.14 4.05 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 849 Q 7.70 4.49 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 850 D 7.94 4.52 0.00 2.94 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 8.10 4.50 0.00 2.91 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 0.00 852 R 6.78 4.14 0.00 1.64 1.76 0.00 3.49 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 853 L 7.52 3.60 0.00 0.85 0.67 -1.27 -0.50 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 4.61 0.00 2.35 2.14 0.00 4.09 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 855 P 0.00 4.37 0.00 2.00 1.88 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.26 0.00 856 P 0.00 4.45 0.00 1.87 1.67 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 0.00 857 M 8.39 4.11 0.00 2.06 1.95 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 2.67 2.56 0.00 858 D 8.73 4.57 0.00 2.90 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 0.00 859 C 7.35 4.41 0.00 3.06 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 4.46 0.00 2.20 2.01 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 861 S 8.76 4.14 0.00 4.09 4.15 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 0.00 862 A 7.99 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 L 7.93 3.92 0.00 1.86 1.67 0.88 1.00 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 0.00 864 H 8.11 4.10 0.00 3.17 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 Q 8.58 3.77 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 866 L 7.50 4.34 0.00 1.75 1.76 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 867 M 7.35 3.12 0.00 0.51 1.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.19 0.00 868 L 7.19 3.82 0.00 1.55 1.64 0.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 869 D 7.72 4.40 0.00 2.72 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 0.00 870 C 7.60 4.20 0.00 2.48 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 0.00 871 W 6.94 3.65 0.00 2.99 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 0.00 0.00 0.00 0.00 872 Q 8.05 4.29 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 873 K 9.22 4.16 0.00 1.77 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.05 7.81 874 D 8.11 4.59 0.00 2.69 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 0.00 875 R 8.89 4.03 0.00 2.06 2.21 0.00 3.03 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 876 N 8.26 4.38 0.00 2.90 2.95 0.00 0.00 6.91 8.16 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 0.00 877 H 8.09 4.71 0.00 3.32 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 878 R 7.68 4.52 0.00 1.96 1.83 0.00 3.40 0.00 0.00 3.62 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 879 P 0.00 4.36 0.00 1.92 1.90 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 880 K 8.17 4.26 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 881 F 8.61 4.21 0.00 3.05 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 0.00 882 G 8.07 3.60 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 0.00 0.00 0.00 883 Q 8.00 4.06 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 884 I 7.96 3.63 1.93 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.72 0.00 0.00 885 V 7.68 3.60 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 1.08 0.00 0.00 0.96 0.00 0.00 886 N 8.00 4.40 0.00 2.94 2.85 0.00 0.00 7.06 6.94 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 0.00 887 T 8.15 3.91 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 1.19 0.00 0.00 888 L 8.11 4.06 0.00 1.86 1.74 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 889 D 8.26 4.36 0.00 2.84 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 0.00 890 K 7.84 3.98 0.00 1.95 1.95 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 891 M 7.64 4.25 0.00 2.12 2.25 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 2.82 2.56 0.00 892 I 7.45 3.75 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 1.35 0.69 0.91 0.00 0.00 893 R 8.04 4.45 0.00 1.92 2.01 0.00 3.09 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 894 N 7.78 5.01 0.00 2.92 2.74 0.00 0.00 7.00 8.30 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 0.00 895 P 0.00 4.27 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 896 N 8.20 4.40 0.00 2.75 2.86 0.00 0.00 6.92 7.32 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 0.00 897 S 8.14 4.16 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.44 0.00 1.75 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 899 K 7.98 4.15 0.00 1.80 1.71 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 900 A 7.81 4.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 M 8.28 4.45 0.00 1.95 1.90 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 2.66 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.