NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 659 L 4.3364 8.1429 120.7683 54.4196 43.9004 179.3736 660 D 4.3503 8.2618 121.5185 58.2639 39.6268 179.7087 661 L 4.3452 8.1764 125.2857 59.7872 41.2997 181.2409 662 I 3.9259 7.7810 120.3541 65.0687 35.4983 180.1900 663 L 4.4207 8.0874 121.8656 57.9511 41.9546 179.2222 664 V 3.6867 7.7581 117.9202 65.8554 31.3545 177.9104 665 E 4.0215 8.5724 118.7849 59.4784 29.2917 179.0932 666 E 3.9755 8.0568 118.4463 59.4657 29.4404 178.8535 667 Y 3.9500 7.9867 119.0666 60.9279 38.9605 177.8421 668 D 4.2397 8.3080 119.8086 57.2008 40.8838 178.6184 669 S 4.0135 8.3426 114.0072 61.2897 62.4088 175.7854 670 L 3.8235 7.8709 122.7493 58.4466 41.7544 178.8967 671 I 3.3899 7.3852 119.5569 64.3231 36.7109 178.0513 672 E 3.9195 7.8671 119.0600 59.1160 29.6842 178.7193 673 K 4.2130 8.0355 118.4136 59.9271 32.0692 179.1460 674 M 3.7517 8.1233 116.5274 57.1724 31.8380 178.2796 675 S 4.5784 7.7666 114.4795 59.3331 63.4339 173.6490 676 N 5.0634 7.5384 119.7732 51.3290 39.6330 175.1479 677 W 3.8180 9.0392 132.5683 60.1188 31.2975 176.0577 678 N 4.5345 7.9280 116.1549 51.8795 37.6828 175.6737 679 F 4.2657 7.9105 120.1532 58.0973 40.7218 174.2145 680 P 4.3927 0.0000 0.0000 61.8719 29.5849 176.6311 681 I 2.4317 6.4653 121.6285 64.7281 37.9523 176.6265 682 F 3.9066 7.5110 117.5212 59.9664 38.6203 177.4534 683 E 3.9311 8.0388 118.8277 59.1049 29.2080 178.7097 684 L 3.8964 7.6906 119.9087 58.3579 41.8971 178.8346 685 V 3.4916 7.3441 116.6407 66.1805 31.5246 177.6637 686 E 4.0733 7.7830 117.9833 59.2670 29.2051 178.9162 687 K 3.8445 8.1198 118.7125 60.0145 32.4302 178.3654 688 M 4.2157 8.5803 118.5312 54.9959 32.2119 178.2832 689 G 3.8330 8.6968 107.8442 46.4053 0.0000 177.5186 690 E 4.0232 9.0250 124.1316 58.4519 29.4920 177.2321 691 K 4.4361 8.2339 118.1186 56.1975 32.5001 178.3054 692 S 4.0510 8.1127 117.7249 61.4644 62.2090 176.3146 693 G 3.8374 8.0637 106.2845 47.0847 0.0000 173.6856 694 R 5.2198 7.7730 118.3564 55.3249 30.8400 177.9154 695 I 3.6378 7.6632 121.0685 64.0533 37.7745 177.7038 696 L 3.8230 7.8122 120.9547 58.0260 41.9326 178.9298 697 S 3.9841 8.8467 114.6103 61.6067 62.9528 176.4478 698 Q 4.0439 8.1217 121.9100 58.6421 28.3664 179.0552 699 V 3.4955 7.9440 119.3052 65.9944 31.4267 178.0254 700 M 3.9297 8.0951 118.7012 58.3438 31.7749 178.0933 701 Y 4.3489 8.3828 119.8305 61.2310 39.0329 178.0042 702 T 3.8843 8.0458 116.6398 66.8169 68.4495 176.5862 703 L 3.5711 7.9937 120.8525 57.6041 41.5033 179.5143 704 F 3.9138 8.7588 117.7879 59.9558 38.6779 177.7539 705 Q 3.9210 7.8780 118.1122 58.8732 28.7624 177.5935 706 D 4.5126 8.2960 118.9912 57.8361 40.5671 178.4691 707 T 4.2329 8.3469 116.1597 63.9345 68.6746 176.5568 708 G 3.8412 8.1971 108.5504 45.1612 0.0000 174.9200 709 L 4.1222 7.9251 120.0777 57.9527 41.5165 178.9427 710 L 4.1284 7.7666 118.8698 57.9994 41.6197 179.3502 711 E 3.9598 8.1052 118.3318 59.3704 29.6092 178.3448 712 I 3.6493 7.8493 118.8292 63.4622 37.0869 176.7578 713 F 4.6941 8.0702 116.4590 57.0052 40.0407 175.8024 714 K 3.8592 7.8272 117.2182 57.4402 29.7214 175.8010 715 I 4.3806 8.4697 119.8614 59.4228 38.2836 175.6044 716 P 4.4148 0.0000 0.0000 63.2155 32.1607 176.9640 717 T 3.9235 8.8272 119.9339 66.7919 68.3126 175.9713 718 Q 3.9561 8.0896 120.6491 59.4408 29.1564 178.1304 719 Q 4.7500 8.1445 119.7564 58.5871 28.8453 178.0822 720 F 3.7239 8.3013 120.9783 62.1122 39.2785 177.2127 721 M 4.1106 8.5143 117.8174 58.2493 31.6026 178.6511 722 N 4.3792 8.4949 117.1556 56.4940 38.7195 176.7076 723 Y 3.2060 8.2128 120.9167 60.6644 38.9837 178.0964 724 F 3.2671 7.3254 118.4003 60.1950 38.6301 177.9716 725 R 4.1115 7.8696 117.1846 58.8032 29.5351 178.6008 726 A 4.0364 7.3391 120.7942 54.7669 18.3646 179.1756 727 L 3.5454 7.7782 119.7536 58.2701 42.0271 178.7636 728 E 4.1006 8.0864 118.3028 59.9347 29.3348 179.3237 729 N 4.6085 7.7278 113.0712 55.6518 38.4748 177.2481 730 G 3.7010 8.5816 107.9688 46.2381 0.0000 173.1598 731 Y 4.1027 7.6708 119.6251 57.3741 38.0366 176.0824 732 R 4.1422 8.3393 124.0814 56.2951 31.2343 176.9628 733 D 4.6676 8.2608 120.6606 52.7332 39.3328 175.0829 734 I 4.6322 7.1760 115.9637 57.4782 40.8187 175.5873 735 P 4.4689 0.0000 0.0000 65.7072 31.0144 175.6813 736 Y 4.5981 7.6939 116.5830 59.5150 40.7180 176.0808 737 H 4.3932 8.5370 117.0450 54.9195 27.1258 172.9160 738 N 5.3210 7.3145 119.3206 49.9636 40.9766 176.0913 739 R 3.0753 8.3997 113.8676 59.3846 28.8802 178.7669 740 I 3.5673 7.9335 120.5560 64.2115 37.0404 177.7359 741 H 3.6079 8.2890 118.3842 59.0058 29.6242 176.7467 742 A 3.7400 7.3189 122.2805 55.5160 18.0239 179.5541 743 T 3.6544 7.7909 114.2622 66.7796 68.5228 176.1280 744 D 4.2826 8.0597 119.7872 57.5231 41.2914 178.4850 745 V 3.4388 7.8658 118.9835 65.7195 31.3485 177.6068 746 L 3.8734 8.0456 120.4429 58.5136 41.9379 178.1964 747 H 4.1220 8.5957 118.2403 59.3834 29.6485 177.0009 748 A 4.0499 8.2020 122.2661 55.4646 18.1029 180.1069 749 V 3.7731 7.6055 109.4098 64.1003 31.7272 178.4895 750 W 4.1202 8.4105 128.2654 60.5916 30.6722 177.3278 751 Y 3.1510 8.3404 119.5687 60.5976 38.0545 178.2160 752 L 4.2899 8.8140 118.8025 56.9000 42.0519 178.5017 753 T 4.5501 7.6313 108.2038 61.5615 68.8543 174.9310 754 T 4.0136 7.0259 116.1591 65.4171 70.6042 174.8770 755 R 3.8345 6.7183 117.9106 55.0854 30.6322 174.8665 756 P 4.5860 0.0000 0.0000 62.9298 32.7439 175.5834 757 V 4.3010 9.2943 125.6685 60.2073 33.6004 173.1329 758 P 3.2316 0.0000 0.0000 63.9174 31.1679 176.9554 759 G 3.9558 9.1090 111.2732 45.4667 0.0000 173.0493 760 L 3.9694 7.7599 123.1724 54.5646 42.1285 176.1049 761 Q 4.3070 8.6823 126.1548 56.2658 29.1015 177.0566 762 Q 4.2068 8.4348 129.3105 55.5604 28.4388 177.1902 763 I 3.6951 7.5314 121.2171 64.5395 36.1239 180.6601 *764 H 4.3503 8.1570 115.0752 55.5496 27.3295 177.8220 765 N 4.2543 7.0130 117.6306 52.4025 37.5912 177.4527 766 G 3.8972 7.8363 104.1986 46.3397 0.0000 172.9853 *783 R 4.1668 8.1610 117.1823 55.8563 30.8545 175.7051 784 I 4.5510 8.1982 120.0975 59.8933 38.7235 175.6593 785 A 4.4790 8.4699 128.2667 51.9955 20.0146 175.6553 786 Y 5.0185 8.4215 116.9512 56.1805 41.7972 175.6702 787 I 4.3170 8.3995 117.0890 60.6344 40.1187 174.8652 788 S 4.4261 7.7764 114.0742 57.3987 65.4329 174.8836 789 S 4.6049 8.8600 123.1743 58.4919 62.6198 174.0675 790 K 4.3062 8.8890 125.6355 57.3464 32.1525 177.5492 791 S 4.7191 7.5407 112.9122 57.3174 63.1241 173.1117 792 C 4.6898 7.5331 113.7636 58.7581 31.1617 172.6835 793 S 4.5239 7.9933 112.6021 57.0339 64.7967 174.4417 794 N 4.2823 8.5282 120.0759 52.7099 38.8434 173.6084 795 P 4.2553 0.0000 0.0000 65.6225 31.8345 175.4281 796 D 4.4708 7.6828 116.9605 53.7670 41.5278 176.3258 797 E 4.1256 9.1075 116.8172 59.1420 29.8729 174.4318 798 S 4.4474 9.5674 114.1954 60.5283 62.5902 178.4659 799 Y 5.1212 7.7706 115.6387 57.4520 41.2505 174.1477 800 G 4.1308 8.4866 105.5694 47.6879 0.0000 171.6989 801 C 4.8478 7.9378 111.6988 57.1185 32.0613 175.3516 802 L 3.6885 8.5462 120.9422 57.7680 41.4538 179.6359 803 S 4.4087 7.6958 112.3210 60.8202 62.6456 175.2921 804 S 4.5281 8.0296 115.9224 58.7283 63.2758 174.8869 805 N 4.6858 8.3382 116.2792 52.5696 40.0219 174.4578 806 I 4.5803 7.6206 119.0256 58.1542 39.5124 174.0361 807 P 3.2239 0.0000 0.0000 62.9017 32.6401 176.8799 808 A 3.9952 8.5300 122.2319 55.3188 18.2611 180.0713 809 L 3.8557 8.0557 118.2728 58.5044 42.3269 178.9562 810 E 3.9592 8.1157 117.8629 59.5518 29.5259 179.3011 811 L 3.7837 7.7914 118.6637 57.5169 41.4588 179.2171 812 M 3.8724 8.0681 118.4554 58.2702 32.1348 178.0579 813 A 3.5880 8.0417 121.1608 54.7168 18.3861 179.3255 814 L 3.8239 7.5737 118.6134 58.6234 42.3643 178.7694 815 Y 4.5055 7.7989 116.6283 61.2993 37.9337 179.0479 816 V 3.7968 8.5584 119.1768 65.9678 31.7428 177.7937 817 A 3.9738 8.7027 120.6833 55.2700 17.9766 179.4035 818 A 3.9161 8.2700 118.1907 55.3679 18.5257 179.5165 819 A 4.1165 7.9010 118.1133 54.2479 18.7642 178.6263 820 M 4.7091 7.7922 113.4278 55.4836 31.6180 177.4304 821 H 4.3556 8.4742 117.1440 58.1334 28.3803 175.6219 822 D 4.3692 7.7706 120.2293 53.4616 41.4960 174.7778 823 Y 2.8549 7.4733 120.1720 59.1598 38.9640 175.8176 824 D 4.0924 7.1090 125.0474 53.9391 39.7250 173.0255 825 H 4.2714 7.4835 116.9025 55.3701 30.4130 173.0752 826 P 4.4109 0.0000 0.0000 63.1148 31.8028 176.1859 827 G 4.1124 8.8111 106.7936 46.7361 0.0000 173.1520 828 R 4.6666 7.8116 117.1041 53.4892 33.6467 174.7129 829 T 4.5324 8.2963 112.6266 60.6893 71.6960 175.7213 830 N 4.3590 8.6709 118.7460 56.4048 38.5045 177.3241 831 A 4.0172 8.0996 121.7097 55.1776 18.3677 179.2648 832 F 3.9658 8.1263 118.5149 61.3991 39.4608 177.2341 833 L 4.0457 8.1342 118.5833 57.9674 41.3546 179.7425 834 V 3.5521 8.4309 118.1183 65.8608 31.2133 177.9240 835 A 3.9511 8.0825 120.0913 55.1907 18.3600 178.9278 836 T 3.9950 7.5681 105.0517 60.8383 69.4827 174.2024 837 N 4.0702 7.7616 117.3260 54.1024 37.0698 174.6712 838 A 4.1250 8.0090 120.4175 51.4618 19.5767 177.3633 839 P 4.2624 0.0000 0.0000 66.5821 30.7861 178.6905 840 Q 4.0697 8.1399 118.1453 58.6750 28.9064 177.8937 841 A 4.1439 8.4814 122.5002 54.9348 18.4179 179.7808 842 V 3.5716 7.7222 116.4089 65.8373 31.4341 177.8595 843 L 3.8435 8.1593 119.9720 57.7123 42.2115 177.6555 844 Y 4.5010 7.6859 114.4129 56.6057 38.1681 175.3863 845 N 4.0842 8.4189 115.7792 54.9824 36.6505 174.3112 846 D 4.3959 8.5303 113.2908 55.0466 39.5110 174.0219 847 R 4.4389 7.9808 118.4116 55.4659 31.1330 176.6032 848 S 3.7539 8.7882 121.3523 59.1921 60.6128 174.5291 849 V 3.3856 7.5507 118.5993 66.8137 31.3597 176.3606 850 L 3.7321 9.0581 118.0893 57.8414 41.8145 179.2881 851 E 4.0165 8.1454 117.8690 59.6631 29.3277 179.1082 852 N 4.1138 8.2685 116.4196 56.6430 38.4616 176.8148 853 H 4.1021 7.4848 119.3576 59.5705 29.8141 176.8783 854 H 4.1914 8.3603 118.0287 58.8048 28.6236 177.4863 855 A 4.0176 7.9399 121.8379 55.2274 18.2440 179.5001 856 A 4.1262 8.3942 119.5213 55.6213 18.5490 180.0224 857 S 4.1771 8.4906 113.7916 61.7106 62.9203 176.9398 858 A 3.4437 8.0581 123.4156 54.8497 18.1973 179.8279 859 W 4.1276 8.2818 117.5204 59.6465 28.8461 178.4233 860 N 4.4740 8.4171 116.7229 56.5375 38.7787 176.2014 861 L 4.5634 8.0065 123.1441 57.9023 41.9267 178.2169 862 Y 3.9393 8.0072 117.8814 60.6713 38.7760 177.5976 863 L 4.3013 7.9246 116.6936 55.8229 42.4216 178.6034 864 S 4.3541 8.1924 116.4227 60.3809 62.9920 174.4144 865 R 4.7479 7.0421 118.2090 53.4336 33.7718 174.3093 866 P 4.1558 0.0000 0.0000 65.2426 31.9661 177.6623 867 E 4.2075 7.8193 115.5037 57.3914 29.7979 177.4393 868 Y 4.7181 7.1471 117.4582 59.6669 39.0446 174.9801 869 N 3.9516 7.2000 119.2731 53.9036 37.0158 173.7673 870 F 4.8674 8.1011 113.8187 56.3193 39.0435 176.9646 871 L 4.6985 7.6522 121.1223 54.5310 41.7952 178.0290 872 L 3.8963 8.0329 121.7114 59.1616 39.9565 177.2660 873 H 4.8857 8.0518 114.4726 55.6805 28.7993 174.2448 874 L 4.9498 7.5933 120.0246 52.7217 43.5652 177.1402 875 D 4.5349 8.4066 122.4531 53.4409 41.4594 177.0846 876 H 4.1326 8.7182 117.8320 59.3363 28.7183 178.1133 877 V 3.5985 7.7907 119.2697 66.0334 31.5844 177.6496 878 E 4.0369 9.0443 118.6052 59.5519 29.3909 179.0653 879 F 4.0488 8.4642 120.6270 61.1637 39.3877 176.8163 880 K 3.8533 8.2679 119.1525 59.7486 31.9448 178.7013 881 R 3.9231 7.9066 118.3416 59.2567 29.9259 178.0237 882 F 4.0597 8.7044 120.9092 61.4063 39.3700 177.0566 883 R 3.4974 7.7683 118.1932 59.0479 29.6057 178.1139 884 F 4.0684 7.8794 119.9027 61.3515 39.4587 176.8525 885 L 3.7203 8.2848 118.8788 57.9209 41.4842 179.7905 886 V 3.4375 7.6344 118.0729 65.9136 31.3621 178.1644 887 I 3.7137 7.7247 119.3799 64.5154 36.7843 178.0261 888 E 3.7906 7.6829 117.8798 59.4091 29.3752 179.2547 889 A 4.0156 7.8970 120.3936 55.1642 18.4540 179.7749 890 I 3.6587 7.6948 118.2541 64.6220 37.0770 178.7677 891 L 4.0589 8.3729 119.3868 57.0414 41.1804 178.8807 892 A 4.0323 7.3990 120.0197 53.7925 18.2608 177.8566 893 T 4.0841 7.4585 106.9657 61.6088 69.0341 174.1327 894 D 4.6542 7.7731 123.4211 53.3217 41.2488 177.0373 895 L 4.0044 8.7899 130.3954 58.3036 41.8654 180.3413 896 K 4.2452 8.5312 121.7587 57.3616 31.8352 182.4720 897 K 4.6905 8.3211 120.4539 57.0854 32.2295 182.2361 898 H 4.1833 8.6408 121.1174 60.8960 29.6660 177.2444 899 F 4.3097 8.0303 118.0120 59.9514 38.7318 177.4658 900 D 4.3741 8.1297 118.7712 57.1631 40.7020 178.3715 901 F 3.9360 8.0630 118.2110 60.4223 38.9241 177.1196 902 L 4.0466 7.9511 119.7099 58.3605 41.8067 178.8351 903 A 4.0365 8.1894 120.2868 55.3118 17.8346 179.1968 904 E 3.8842 8.4139 117.8690 59.3912 29.6515 178.7763 905 F 4.2383 9.1624 121.3661 61.5135 39.5335 176.9261 906 N 4.2019 8.6598 116.0621 56.0882 38.0886 177.2556 907 A 3.9903 7.9073 121.4737 54.4776 18.4185 179.2276 908 K 4.0478 7.3076 114.7306 58.5837 32.8421 178.6303 909 A 4.2648 7.4112 120.9378 52.9163 20.1101 178.0754 910 N 4.7436 7.4026 113.1974 52.0591 38.1587 175.2786 911 D 4.5990 7.3457 117.2908 52.1712 44.0003 175.8970 912 V 3.5786 8.5587 127.0076 65.3834 31.6528 176.1596 913 N 4.6402 8.5530 115.5596 53.7234 39.3462 175.0493 914 S 4.7074 7.7852 114.1298 57.0632 64.3381 171.9539 915 N 4.8274 8.5196 115.5955 53.3854 43.6143 174.7929 916 G 3.1815 8.3068 105.2736 44.6806 0.0000 176.0882 917 I 3.9591 8.3598 115.9586 61.7024 43.1068 173.7312 918 E 3.6006 7.8374 120.1257 56.2558 25.2516 174.9326 919 W 4.3595 8.0690 118.3281 58.3493 29.6279 177.1793 920 S 4.5220 8.0705 112.1274 58.5732 63.2066 173.5990 921 N 4.8612 8.3152 121.6460 51.9046 40.3129 174.3661 922 E 4.0149 8.8427 127.8767 59.8107 29.7460 178.8194 923 N 4.3565 8.3216 115.5701 56.6832 38.7054 176.8085 924 D 4.3544 8.3869 119.8148 57.6800 40.9733 179.2706 925 R 4.0633 8.2757 118.5425 59.1174 29.9593 178.8764 926 L 3.9982 8.2769 120.4912 58.0324 42.0555 178.6546 927 L 4.2230 8.0855 120.2528 58.3881 42.0706 178.9641 928 V 3.8113 7.9995 118.0094 66.5421 31.4605 177.7902 929 C 4.2587 8.2646 116.2734 62.8063 27.8372 176.2146 930 Q 3.8163 8.4327 120.0173 58.9910 28.2731 178.8799 931 V 3.2937 7.9181 119.4396 65.8954 31.4105 177.6525 932 C 3.7634 7.9892 118.5701 62.3776 31.3680 175.4362 933 I 3.7068 7.7938 120.2065 63.6228 37.0929 177.9830 934 K 3.7890 8.0329 119.8671 59.3412 31.6574 179.0105 935 L 3.8164 7.6570 119.1803 58.0268 42.0131 178.5859 936 A 4.1338 7.7204 119.8875 55.0121 18.3454 178.8302 937 D 4.4057 8.2900 116.5727 55.9796 41.1347 176.5778 938 I 4.6405 7.3537 113.1794 60.2587 38.1675 176.9838 939 N 4.2152 8.6100 119.7466 56.2161 37.1941 176.7795 940 G 3.7807 7.0210 106.0209 48.6867 0.0000 173.2612 941 P 4.1464 0.0000 0.0000 62.8940 31.7691 177.1887 942 A 4.5670 8.8438 121.5811 52.1289 19.2302 176.6001 943 K 4.7278 7.5793 117.7234 55.0441 34.7944 176.9757 944 V 3.7744 8.7204 119.9268 61.7647 32.9624 177.0017 945 R 3.9179 8.6140 119.7846 59.7269 29.6079 177.8471 946 D 4.3373 8.2335 117.3100 57.6686 40.9989 178.6295 947 L 3.8912 7.8104 118.3386 58.0236 41.7629 178.4242 948 H 4.3692 8.3885 118.2580 59.7680 29.6396 177.0946 949 L 4.0033 8.3536 120.7981 57.5209 41.1897 179.3295 950 K 3.5816 7.3234 118.3677 59.1452 32.3014 178.6312 951 W 4.6437 8.1119 119.0518 60.2193 29.0466 178.3367 952 T 3.6643 8.1487 115.9517 66.8625 67.9182 175.8157 953 E 3.9386 8.4777 121.2822 59.2933 29.5201 179.2741 954 G 3.5839 8.0820 105.4484 47.8261 0.0000 175.6182 955 I 2.8397 7.2842 122.2646 63.8862 37.0401 178.8566 956 V 2.9318 7.2435 112.9079 64.1327 31.1638 178.4002 957 N 4.3994 7.8145 116.2886 56.1225 38.3111 177.1324 958 E 3.8951 7.8923 120.7006 59.2340 29.7132 178.7215 959 F 4.4622 8.0180 118.1873 61.1161 38.8897 177.3501 960 Y 4.7726 8.2270 116.4829 61.1371 37.6511 178.5956 961 E 4.0118 8.0792 119.5238 59.4317 29.5964 179.0655 962 Q 3.9230 8.3197 119.8014 58.8658 28.9392 178.6031 963 G 3.9004 8.4044 108.6935 47.5115 0.0000 175.4925 964 D 4.3870 8.5016 121.8912 56.7842 40.6400 178.7226 965 E 3.9528 8.0126 119.5090 59.3102 29.7707 178.3305 966 E 4.0932 8.4335 118.4876 59.7213 29.4736 178.9568 967 A 3.9691 8.3115 120.5841 55.6445 18.2501 179.3206 968 N 3.9253 8.3637 113.9816 56.0998 38.7324 176.6381 969 L 4.4877 8.0483 118.2676 53.6391 42.0485 176.6191 970 G 3.9119 8.7175 107.6721 46.7944 0.0000 173.8324 971 L 4.7501 8.0570 118.2093 51.3846 44.4636 174.9794 972 P 4.3572 0.0000 0.0000 62.4251 31.6707 176.8660 973 I 4.0658 8.2154 124.5937 61.0443 37.8925 176.3747 974 S 4.3111 9.2906 121.5902 57.5135 63.3675 172.1265 975 P 4.1265 0.0000 0.0000 64.4978 31.3437 176.6953 976 F 3.9172 8.1879 118.6207 58.6149 36.7848 175.4039 977 M 4.6481 8.0614 119.4554 55.0620 32.6814 174.7996 978 D 4.8606 7.9327 120.5421 52.4459 41.3103 177.0406 979 R 2.9864 8.2614 124.5913 58.3996 29.6430 178.2151 980 S 4.1618 8.4879 113.5450 60.3167 63.8646 174.3511 981 S 4.6309 7.5832 113.6250 56.0727 61.8993 171.2676 982 P 4.6804 0.0000 0.0000 63.4183 32.7575 176.9062 983 Q 4.6843 8.4359 116.3941 53.3246 29.9714 176.5632 984 L 3.8734 8.6171 121.6794 58.6622 42.2304 177.4536 985 A 4.0380 8.0799 119.6120 55.1507 18.4308 179.2421 986 K 4.0118 8.2051 117.6902 59.5009 32.2450 178.4149 987 L 2.9439 8.5903 120.8455 58.1143 42.0216 179.0636 988 Q 3.6675 7.6959 118.0238 58.5296 28.3725 178.4292 989 E 4.0425 8.4341 120.7474 59.4286 29.7415 178.7490 990 S 4.1511 8.2345 113.2821 61.3390 62.3530 175.7941 991 F 4.1456 8.4898 123.6243 61.4769 39.0518 177.1670 992 I 3.4813 7.8346 119.2537 64.5420 36.6433 178.5875 993 T 3.7927 7.7121 115.3282 66.8832 68.4125 175.8450 994 H 4.7443 8.1124 115.7936 57.5160 29.3896 175.4474 995 I 3.9743 7.6230 119.4214 62.4475 38.8523 177.8634 996 V 3.4821 6.5272 118.0074 66.4191 31.7218 178.0830 997 G 3.6788 8.2102 105.7297 47.5373 0.0000 173.3910 998 P 4.2933 0.0000 0.0000 65.1284 31.0666 178.2728 999 L 3.8860 7.6728 119.8800 58.3024 42.0242 178.7080 1000 C 4.1220 8.3323 116.9822 62.8489 27.9091 176.0620 1001 N 4.3598 8.3731 118.0239 56.4284 38.2656 177.4704 1002 S 4.2775 8.1808 116.5341 62.0145 62.5045 176.2939 1003 Y 4.1888 8.4044 122.2886 60.7488 38.4956 177.5533 1004 D 4.2849 8.6494 119.2209 57.3531 41.1582 178.0791 1005 A 4.1267 8.7557 120.6072 54.7421 18.4354 178.5699 1006 A 4.2814 7.7688 116.5246 51.5627 19.2380 177.1974 1007 G 3.8022 8.1937 105.7061 46.9682 0.0000 174.5532 1008 L 4.4494 7.1364 116.1267 53.8540 43.0313 177.2683 1009 L 4.3177 7.4779 120.0899 53.1445 42.2627 174.8878 1010 P 4.3598 0.0000 0.0000 62.4016 32.0809 175.9180 1011 G 4.1118 7.9715 108.4890 45.8801 0.0000 171.5733 1012 Q 4.9649 8.3296 116.5287 54.3324 32.3480 174.8689 1013 W 4.7717 8.9055 121.2910 57.2675 29.6036 176.0104 1014 L 4.5994 8.8771 120.7564 55.7937 42.8543 176.4969 1015 E 4.9621 7.9826 117.4881 55.0989 31.9797 175.5031 1016 A 4.7157 8.3139 116.6998 51.2729 20.2061 175.5576 1017 E 4.0664 7.8644 127.4987 56.4222 29.0289 179.1695 *1053 S 4.6252 8.9911 109.7054 58.8383 63.3680 175.1050 1054 R 4.6510 7.6052 116.3657 55.6770 30.2433 178.0992 1055 R 4.6517 7.8125 117.8292 55.5246 33.2529 174.5624 1056 R 4.2748 8.8949 124.4534 56.9425 31.0500 175.6647 1057 I 4.9743 8.4869 116.0316 59.0408 41.0924 174.6154 1058 F 4.7417 9.4853 124.8619 56.7733 41.9830 173.5702 1059 C 4.1009 8.0379 128.2120 57.7427 31.9362 173.4586 1060 Q 3.4806 7.9855 128.3907 59.2383 28.4962 178.5336 1061 L 4.3045 7.2186 120.9649 58.0837 40.5960 178.6668 1062 M 3.9991 7.6569 118.9972 58.4772 32.2211 177.5359 1063 H 4.1288 8.1187 118.5464 59.6833 30.0876 176.8496 1064 H 4.2501 8.3115 118.0373 58.8188 28.4701 177.4595 1065 L 4.7808 7.9037 123.2673 58.1332 41.7635 179.0487 1066 T 3.9109 7.4535 113.6507 66.8887 68.5283 176.1243 1067 E 4.1135 8.2593 120.2688 59.4910 29.6078 179.2055 1068 N 4.3341 8.4909 116.7598 56.4905 38.6756 176.7499 1069 H 4.4099 8.5876 119.8338 59.5557 29.7370 177.4122 1070 K 4.0667 7.9553 120.3895 59.2139 31.6806 178.9519 1071 I 3.7395 7.3775 111.1963 62.3026 37.6581 177.0824 1072 W 5.0200 7.5031 118.7404 56.9425 29.9036 176.0476 1073 K 4.2885 7.7434 123.4818 56.6698 31.4922 176.6601 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 659 L 8.14 4.34 0.00 1.59 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 660 D 8.26 4.35 0.00 2.76 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 0.00 661 L 8.18 4.35 0.00 1.64 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 662 I 7.78 3.93 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 1.52 0.53 0.91 0.00 0.00 663 L 8.09 4.42 0.00 1.87 1.87 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 664 V 7.76 3.69 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 1.04 0.00 0.00 1.00 0.00 0.00 665 E 8.57 4.02 0.00 2.23 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 2.35 2.46 0.00 666 E 8.06 3.98 0.00 2.20 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 2.35 2.67 0.00 667 Y 7.99 3.95 0.00 3.10 3.13 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 0.00 668 D 8.31 4.24 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 0.00 669 S 8.34 4.01 0.00 3.93 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 0.00 670 L 7.87 3.82 0.00 1.81 1.36 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 671 I 7.39 3.39 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.84 0.00 0.00 672 E 7.87 3.92 0.00 2.06 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 0.00 2.35 2.37 0.00 673 K 8.04 4.21 0.00 2.00 2.12 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.70 7.81 674 M 8.12 3.75 0.00 1.61 1.79 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.00 675 S 7.77 4.58 0.00 4.11 4.03 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 0.00 676 N 7.54 5.06 0.00 2.84 2.90 0.00 0.00 6.89 8.90 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 0.00 677 W 9.04 3.82 0.00 2.57 3.13 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 0.00 678 N 7.93 4.53 0.00 2.84 2.81 0.00 0.00 6.82 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 F 7.91 4.27 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 680 P 0.00 4.39 0.00 2.13 2.14 0.00 4.01 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 2.05 1.97 0.00 681 I 6.47 2.43 1.13 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.17 0.00 0.00 682 F 7.51 3.91 0.00 2.99 2.91 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 0.00 683 E 8.04 3.93 0.00 2.15 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 2.29 2.27 0.00 684 L 7.69 3.90 0.00 1.67 1.75 1.09 0.87 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 0.00 685 V 7.34 3.49 2.21 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 0.85 0.00 0.00 0.79 0.00 0.00 686 E 7.78 4.07 0.00 2.18 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 0.00 2.30 2.29 0.00 687 K 8.12 3.84 0.00 1.71 2.00 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 688 M 8.58 4.22 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 689 G 8.70 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 0.00 690 E 9.03 4.02 0.00 1.96 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 2.31 2.33 0.00 691 K 8.23 4.44 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.36 7.81 692 S 8.11 4.05 0.00 4.03 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 0.00 693 G 8.06 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 0.00 0.00 0.00 694 R 7.77 5.22 0.00 1.83 1.88 0.00 3.29 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 695 I 7.66 3.64 1.91 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 1.34 1.31 0.82 0.00 0.00 696 L 7.81 3.82 0.00 1.61 1.69 0.73 0.80 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 0.00 697 S 8.85 3.98 0.00 4.00 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 0.00 698 Q 8.12 4.04 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 699 V 7.94 3.50 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 0.89 0.00 0.00 0.89 0.00 0.00 700 M 8.10 3.93 0.00 1.42 1.95 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.36 0.00 701 Y 8.38 4.35 0.00 3.20 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 0.00 702 T 8.05 3.88 4.17 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 0.84 0.00 0.00 703 L 7.99 3.57 0.00 1.51 1.19 0.43 -0.61 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 0.00 704 F 8.76 3.91 0.00 3.07 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 0.00 705 Q 7.88 3.92 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 706 D 8.30 4.51 0.00 2.75 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 0.00 707 T 8.35 4.23 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 1.33 0.00 0.00 708 G 8.20 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 0.00 0.00 0.00 709 L 7.93 4.12 0.00 1.40 1.80 0.36 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 710 L 7.77 4.13 0.00 1.66 1.76 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 711 E 8.11 3.96 0.00 2.04 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 2.36 2.40 0.00 712 I 7.85 3.65 1.84 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 1.47 0.83 0.48 0.00 0.00 713 F 8.07 4.69 0.00 3.14 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 0.00 714 K 7.83 3.86 0.00 1.97 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.52 7.81 715 I 8.47 4.38 2.04 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.89 1.27 0.00 0.00 716 P 0.00 4.41 0.00 2.37 2.30 0.00 4.10 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 717 T 8.83 3.92 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 1.09 0.00 0.00 718 Q 8.09 3.96 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 719 Q 8.14 4.75 0.00 2.43 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 720 F 8.30 3.72 0.00 3.20 3.23 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 0.00 721 M 8.51 4.11 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.85 0.00 722 N 8.49 4.38 0.00 3.25 3.22 0.00 0.00 6.57 7.48 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 0.00 723 Y 8.21 3.21 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 0.00 724 F 7.33 3.27 0.00 2.70 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 0.00 725 R 7.87 4.11 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 726 A 7.34 4.04 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0.00 1.84 1.70 0.78 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 875 D 8.41 4.53 0.00 2.96 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 0.00 876 H 8.72 4.13 0.00 3.23 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 V 7.79 3.60 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 1.11 0.00 0.00 0.98 0.00 0.00 878 E 9.04 4.04 0.00 2.38 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 2.47 2.46 0.00 879 F 8.46 4.05 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 K 8.27 3.85 0.00 2.26 1.91 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 881 R 7.91 3.92 0.00 1.98 2.13 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 882 F 8.70 4.06 0.00 3.08 2.94 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.54 0.81 0.96 0.00 0.00 891 L 8.37 4.06 0.00 1.66 1.76 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 892 A 7.40 4.03 0.72 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 0.00 0.00 893 T 7.46 4.08 4.44 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 1.14 0.00 0.00 894 D 7.77 4.65 0.00 2.90 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 0.00 895 L 8.79 4.00 0.00 1.81 1.76 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 896 K 8.53 4.25 0.00 1.79 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.27 7.81 897 K 8.32 4.69 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.28 7.81 898 H 8.64 4.18 0.00 3.14 2.98 0.00 5.75 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 941 P 0.00 4.15 0.00 2.28 2.37 0.00 3.97 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 942 A 8.84 4.57 1.53 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 0.00 0.00 943 K 7.58 4.73 0.00 1.92 1.85 0.00 1.29 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.45 7.81 944 V 8.72 3.77 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 0.89 0.00 0.00 1.00 0.00 0.00 945 R 8.61 3.92 0.00 1.92 1.98 0.00 3.06 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 946 D 8.23 4.34 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 947 L 7.81 3.89 0.00 1.95 1.84 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 948 H 8.39 4.37 0.00 3.45 3.61 0.00 5.78 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 0.00 949 L 8.35 4.00 0.00 1.66 1.69 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 950 K 7.32 3.58 0.00 1.31 1.34 0.00 1.18 0.00 0.00 1.12 0.00 0.00 2.21 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.21 7.81 951 W 8.11 4.64 0.00 3.62 3.25 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 0.00 952 T 8.15 3.66 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 0.98 0.00 0.00 953 E 8.48 3.94 0.00 2.02 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 0.00 2.24 2.30 0.00 954 G 8.08 3.58 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 0.00 0.00 0.00 955 I 7.28 2.84 1.26 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.36 -0.47 0.00 0.00 956 V 7.24 2.93 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 0.44 0.00 0.00 0.83 0.00 0.00 957 N 7.81 4.40 0.00 2.82 2.86 0.00 0.00 6.64 7.76 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 0.00 958 E 7.89 3.90 0.00 2.11 1.88 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 2.34 2.36 0.00 959 F 8.02 4.46 0.00 2.82 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 0.00 960 Y 8.23 4.77 0.00 3.10 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 0.00 961 E 8.08 4.01 0.00 2.18 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 2.37 2.65 0.00 962 Q 8.32 3.92 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 1.81 0.00 963 G 8.40 3.90 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 0.00 964 D 8.50 4.39 0.00 2.94 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 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1.87 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 1.45 0.48 0.98 0.00 0.00 974 S 9.29 4.31 0.00 3.81 3.75 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 0.00 975 P 0.00 4.13 0.00 2.16 1.77 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 976 F 8.19 3.92 0.00 3.20 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 0.00 977 M 8.06 4.65 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 978 D 7.93 4.86 0.00 2.66 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 0.00 979 R 8.26 2.99 0.00 1.41 1.32 0.00 3.28 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 980 S 8.49 4.16 0.00 3.91 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 0.00 981 S 7.58 4.63 0.00 3.78 3.72 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 0.00 982 P 0.00 4.68 0.00 2.32 1.97 0.00 3.83 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 2.00 1.94 0.00 983 Q 8.44 4.68 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 984 L 8.62 3.87 0.00 1.85 1.80 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 985 A 8.08 4.04 1.62 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 0.00 986 K 8.21 4.01 0.00 2.00 2.30 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.87 1.67 7.81 987 L 8.59 2.94 0.00 1.45 1.61 0.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 988 Q 7.70 3.67 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 989 E 8.43 4.04 0.00 2.25 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 2.52 2.61 0.00 990 S 8.23 4.15 0.00 4.06 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 0.00 991 F 8.49 4.15 0.00 3.04 3.09 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 0.00 0.00 0.00 992 I 7.83 3.48 1.79 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.73 0.00 0.00 993 T 7.71 3.79 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 994 H 8.11 4.74 0.00 3.20 3.53 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 995 I 7.62 3.97 0.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.87 0.33 0.00 0.00 996 V 6.53 3.48 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 1.09 0.00 0.00 0.55 0.00 0.00 997 G 8.21 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 998 P 0.00 4.29 0.00 2.36 2.43 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 999 L 7.67 3.89 0.00 1.74 1.89 0.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1000 C 8.33 4.12 0.00 3.25 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 1001 N 8.37 4.36 0.00 2.92 2.90 0.00 0.00 6.99 7.17 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 1002 S 8.18 4.28 0.00 4.19 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 Y 8.40 4.19 0.00 3.01 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 1004 D 8.65 4.28 0.00 2.93 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 1005 A 8.76 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 A 7.77 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1007 G 8.19 3.80 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 0.00 0.00 0.00 1008 L 7.14 4.45 0.00 0.42 1.36 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 1009 L 7.48 4.32 0.00 1.56 1.51 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 1010 P 0.00 4.36 0.00 2.13 1.97 0.00 3.39 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 1011 G 7.97 4.11 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 0.00 0.00 0.00 1012 Q 8.33 4.96 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 1013 W 8.91 4.77 0.00 3.25 3.09 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 0.00 0.00 0.00 1014 L 8.88 4.60 0.00 1.87 1.77 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 1015 E 7.98 4.96 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 1016 A 8.31 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1017 E 7.86 4.07 0.00 1.79 1.12 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 2.32 2.16 0.00 *1053 S 8.99 4.63 0.00 3.70 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 1054 R 7.61 4.65 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 1055 R 7.81 4.65 0.00 1.54 1.54 0.00 3.22 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 1056 R 8.89 4.27 0.00 1.87 1.94 0.00 3.34 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 1057 I 8.49 4.97 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.56 0.00 0.00 1058 F 9.49 4.74 0.00 3.08 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 1059 C 8.04 4.10 0.00 2.81 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 1060 Q 7.99 3.48 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 1061 L 7.22 4.30 0.00 1.95 0.90 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 1062 M 7.66 4.00 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 1063 H 8.12 4.13 0.00 3.28 3.42 0.00 5.65 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 1064 H 8.31 4.25 0.00 3.60 3.58 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 1065 L 7.90 4.78 0.00 1.96 1.85 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1066 T 7.45 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1067 E 8.26 4.11 0.00 1.99 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 2.23 2.42 0.00 1068 N 8.49 4.33 0.00 3.01 3.00 0.00 0.00 6.65 8.21 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 1069 H 8.59 4.41 0.00 3.41 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1070 K 7.96 4.07 0.00 1.99 1.83 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 1071 I 7.38 3.74 1.45 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.36 0.78 0.00 0.00 1072 W 7.50 5.02 0.00 3.43 3.25 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 0.00 1073 K 7.74 4.29 0.00 1.89 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.76 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.