NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 838 V 4.4093 8.1545 120.6593 62.7960 32.8428 175.0782 839 L 4.7540 8.8653 129.7554 51.7060 44.9590 171.2999 840 K 4.4276 9.0840 125.9952 56.3809 33.4844 175.2734 841 A 4.4923 8.3918 127.0783 51.8756 23.2150 175.9301 842 R 4.7521 8.5490 120.3420 57.0013 30.8346 178.4966 843 I 2.8862 9.1714 116.0137 61.9011 38.0862 174.6179 *849 R 4.0453 8.2846 123.5405 56.6158 30.1027 173.7666 850 M 4.0975 7.8158 119.3039 57.1265 32.2399 174.4432 851 D 5.2320 7.9140 114.9648 54.3584 42.6999 175.1155 852 A 5.3381 9.2324 124.5676 50.1708 23.6678 174.5368 853 A 4.9284 9.4441 122.5198 50.5778 21.1433 175.7798 854 I 4.8941 8.9407 124.1504 60.0934 39.6857 174.9809 855 K 4.8263 9.0276 130.6567 55.4016 34.7013 175.9795 856 R 4.6773 8.4341 126.1437 55.2355 31.5247 173.4604 *871 G 3.9493 8.7527 114.2578 44.4764 0.0000 172.9087 872 E 4.2253 7.9589 118.4747 58.1299 29.8499 178.2207 873 L 4.0175 7.8502 120.3789 57.7983 41.8815 178.3292 874 E 3.9453 8.0982 119.2143 59.1183 29.4326 178.8247 875 V 3.6346 7.6216 116.8875 65.9128 31.9235 177.5733 876 L 4.0899 7.7765 118.3026 58.0408 41.3339 179.2928 877 C 4.1377 7.9690 116.2309 62.6633 27.8580 175.9505 878 K 4.1785 7.5906 117.9973 58.1975 31.8502 178.8649 879 L 4.0720 7.5834 119.1842 56.6186 42.0297 179.2822 880 G 3.8210 8.0853 107.3038 46.4710 0.0000 172.6694 881 H 4.8816 8.3811 118.9663 54.4416 32.8598 172.2377 882 H 4.2538 8.0465 118.4978 54.5381 32.3102 173.0135 883 P 4.2861 0.0000 0.0000 64.8334 31.4299 176.7248 884 N 5.1454 8.5613 114.0938 51.7856 38.9737 173.3397 885 I 5.0593 7.3724 111.9070 58.2614 40.7546 175.2225 886 I 3.8296 7.9484 115.8531 61.1753 38.4618 175.2271 887 N 4.7913 8.5320 122.4738 51.7168 40.7824 173.4834 888 L 4.3289 8.5090 129.7143 55.1621 41.8543 176.4162 889 L 4.1812 9.1520 128.2776 56.3329 42.3495 177.5458 890 G 4.0753 7.5545 103.7610 46.5707 0.0000 170.8080 891 A 5.6442 8.4221 120.7682 50.1804 22.7380 174.7243 892 C 4.8871 7.8120 112.2110 59.1624 31.5518 171.1896 893 E 4.5024 8.0166 120.5391 57.2020 30.9650 174.0262 *894 H 4.6365 8.6027 111.3191 55.7523 32.3579 169.4653 *899 Y 4.6841 7.6733 116.8584 58.1691 38.3675 178.3220 900 L 4.7993 9.1716 126.0469 52.5778 43.9861 175.4385 901 A 4.9912 8.9702 126.9893 50.3913 20.7992 175.6286 902 I 4.9824 8.2379 116.0604 58.6950 40.9020 174.8424 903 E 4.2156 8.6772 126.2397 57.0136 29.8386 176.0120 904 Y 4.2784 8.8378 128.7485 57.5674 40.0245 175.0432 905 A 4.3538 7.5353 128.9312 49.7266 19.5291 175.8806 906 P 4.3002 0.0000 0.0000 66.0777 31.5602 177.4865 907 H 4.6010 7.5063 113.1326 54.6222 29.3244 177.0284 908 G 3.8182 7.6715 110.3629 45.1847 0.0000 172.8717 909 N 4.9662 8.2668 116.0878 52.5258 39.4257 175.4437 910 L 3.8141 8.8689 125.2071 58.4935 42.1650 178.7129 911 L 3.9661 8.1328 119.4494 58.8533 41.7874 178.3670 912 D 4.3986 8.9473 118.4339 57.6427 40.6771 179.0231 913 F 4.1228 8.0605 119.9376 61.1579 39.3053 177.0025 914 L 4.1934 8.6868 119.1897 57.7555 41.4405 179.6586 915 R 4.0294 8.4060 120.7327 59.5090 29.8708 179.4240 916 K 4.1649 8.1043 122.2153 58.3473 32.0031 180.6144 917 S 4.6933 7.4552 111.0827 59.1957 64.4461 174.5806 918 R 4.7672 7.4352 123.2566 56.3238 27.6407 177.1607 919 V 3.7917 8.4472 122.7585 63.6532 32.3518 179.3235 920 L 3.8464 8.0208 122.1785 58.0468 42.0944 177.9189 921 E 4.2968 8.3774 116.8218 59.3215 29.9705 178.0957 922 T 4.1369 7.8394 114.3303 65.9936 69.3488 175.0561 923 D 4.8155 8.7945 120.4528 51.1621 41.5814 173.5504 924 P 4.3474 0.0000 0.0000 65.2203 32.0005 178.0632 925 A 3.9613 8.0001 119.1416 55.2506 18.2958 179.1976 926 F 3.9339 8.4820 118.4092 61.2725 39.4949 177.0460 927 A 3.9751 8.2717 120.3239 55.2160 18.3036 179.4313 928 I 3.4911 8.0887 118.4259 64.6482 37.0459 178.4520 929 A 3.8900 7.4963 120.3966 54.7830 18.2059 177.9257 930 N 4.5056 7.4134 110.3756 52.4169 39.3607 174.9673 931 S 3.6155 7.7448 114.1647 59.9164 61.1802 171.3225 932 T 4.8535 7.5732 112.5043 60.4387 68.8193 173.4551 933 A 4.2591 9.3267 129.6897 52.5970 20.9776 176.7070 934 S 5.5975 7.9989 108.4541 55.9681 65.2082 174.4700 935 T 4.1554 8.7907 115.7432 63.5246 69.1642 174.4596 936 L 4.6104 7.9002 122.7316 53.7870 43.1631 176.8214 937 S 4.6615 8.9005 117.6601 57.0583 66.3270 175.4047 938 S 4.0999 8.3961 115.2494 61.2107 61.9459 175.6698 939 Q 3.9346 7.9962 121.9948 59.2548 28.8959 178.0491 940 Q 3.6747 7.8308 118.7695 58.7855 28.8482 178.6832 941 L 4.0895 7.8796 119.8967 58.1649 41.6804 179.8427 942 L 4.0841 7.9813 118.5517 57.9882 41.4104 179.2834 943 H 4.1684 8.3662 116.4861 58.7334 28.5768 177.7360 944 F 4.5783 8.1952 119.6016 60.6556 38.7470 177.5500 945 A 4.1881 8.0936 119.6851 55.2960 18.1968 179.6250 946 A 4.0725 8.5317 119.6939 55.1296 18.4074 179.5327 947 D 4.3639 8.5247 117.8313 57.6941 40.9856 179.2540 948 V 3.6222 8.1021 118.3190 65.8864 31.5901 177.7914 949 A 3.6384 8.1209 120.5423 55.0889 18.2285 179.4887 950 R 3.9338 8.2345 117.3746 59.5980 30.1680 178.9936 951 G 3.4488 8.0646 105.4091 48.1171 0.0000 175.6718 952 M 3.9227 8.3360 121.5193 57.6205 31.4905 178.4430 953 D 4.4291 8.2975 120.1405 56.8575 41.1918 177.5180 954 Y 4.0129 7.8779 119.9903 60.9322 38.8067 178.2959 955 L 3.9283 8.4610 120.3674 57.5121 41.5895 179.4411 956 S 4.3998 8.4532 114.2080 60.8793 63.0263 176.2272 957 Q 4.2319 7.7319 120.5645 57.6458 28.4988 176.6665 958 K 4.2513 7.1657 118.5701 55.1092 32.3976 176.5819 959 Q 3.3508 7.4855 116.1568 56.9387 27.8767 173.8235 960 F 4.5815 8.0602 118.3760 57.7062 40.8687 174.4468 961 I 4.4336 7.1722 128.1776 59.6957 38.7353 174.9364 962 H 3.9545 9.7099 126.6231 59.3705 29.8840 177.3786 963 R 4.1991 9.3524 114.8546 56.6764 28.3613 176.4424 964 D 4.7379 7.7217 117.6073 52.7189 41.4175 175.5920 965 L 3.9934 8.2729 118.6040 54.9958 42.2232 176.6739 966 A 4.6194 8.1543 124.2481 51.0398 21.9840 176.4419 967 A 4.1049 9.8089 123.8138 55.3222 18.5596 180.7207 968 R 3.9858 8.0012 111.0325 58.9130 29.6560 177.0422 969 N 4.9168 8.3116 114.5661 52.9192 39.0527 173.6535 970 I 4.8728 7.7353 120.6196 59.5633 39.8589 174.8106 971 L 4.7376 9.1166 126.8180 53.4375 44.1180 176.1166 972 V 4.2268 8.3324 122.7526 61.5739 32.6758 175.2371 973 G 4.1337 8.4882 120.9840 44.1677 0.0000 170.8861 974 E 3.9115 8.5256 118.3871 58.1924 29.8020 177.0983 975 N 4.1282 8.8750 118.5693 54.1270 35.8386 173.5947 976 Y 3.6303 7.0215 112.2531 58.9489 36.2896 170.5305 977 V 4.3111 7.3939 119.2135 62.1502 32.1926 175.1167 978 A 4.7161 9.5138 131.1788 51.9769 19.8328 176.1859 979 K 4.8389 9.2498 120.3408 54.3080 36.4506 176.0967 980 I 4.0986 8.7895 126.2506 61.5800 38.1562 175.1102 981 A 4.8984 8.5897 127.2634 50.3365 22.9454 174.9729 982 D 4.2426 7.8379 117.3704 53.4647 43.1494 174.4131 983 F 4.9047 8.1341 124.9738 57.2508 39.0964 176.4578 984 G 3.9153 8.9804 114.1844 46.0829 0.0000 174.6077 985 L 4.8210 8.0767 118.2746 53.8514 42.3355 173.7079 986 S 4.7490 7.7376 111.6629 58.5928 65.7522 178.5037 987 R 4.5007 8.3109 124.1111 54.8363 33.9470 176.0182 *993 V 3.8353 8.1324 116.9189 60.3241 32.5242 176.1562 994 K 4.3412 8.5212 126.6420 55.1064 32.8935 176.0557 995 K 4.6780 8.1483 122.5234 54.3914 35.0034 176.3475 996 T 4.0597 8.1409 118.0063 63.9423 69.0173 174.2162 997 M 4.7710 8.1720 124.0927 53.5972 36.7984 175.1368 998 G 4.2554 8.1630 119.3416 45.3762 0.0000 175.3142 999 R 4.1028 8.4960 124.8723 55.4459 30.5459 176.0478 1000 L 4.2197 8.4676 123.5430 54.1564 42.4142 176.2851 1001 P 4.7097 0.0000 0.0000 61.2942 30.4171 176.5859 1002 V 3.6087 8.1390 127.0056 66.7953 32.0092 178.2210 1003 R 4.0156 8.3011 116.9165 57.9650 29.8907 177.0054 1004 W 4.7189 8.7162 117.0055 56.5228 29.5431 175.0535 1005 M 4.5668 7.6448 118.4517 53.0042 33.2600 176.0262 1006 A 2.0000 7.9134 125.7405 51.3485 19.4393 178.3025 1007 I 3.2790 6.5843 123.5292 64.4576 37.2951 178.2286 1008 E 4.1136 7.8045 116.5697 58.4556 29.4715 178.7058 1009 S 3.9885 7.9630 117.0947 60.7902 62.9465 176.2726 1010 L 3.9135 7.4790 120.2096 56.8044 42.0704 177.2845 1011 N 4.5466 7.7508 116.0376 53.1185 39.8722 176.6828 1012 Y 3.7788 8.0612 116.3835 57.9119 37.1781 169.8217 1013 S 3.9373 7.5893 113.7089 58.1654 61.0911 172.3846 1014 V 4.1540 7.2235 117.9727 61.6256 32.7521 174.6325 1015 Y 4.5965 8.2753 123.3678 56.6795 41.1027 174.3910 1016 T 4.7514 8.7380 114.4082 59.5694 72.3989 174.6364 1017 T 4.0595 8.5979 116.7596 66.9991 68.2366 176.4841 1018 N 4.3775 8.0261 118.3504 56.2879 38.5437 177.5969 1019 S 4.3063 8.1320 115.2860 61.5186 63.1686 176.0030 1020 D 4.6591 8.3550 122.5583 57.3360 40.5619 179.0177 1021 V 3.4777 8.0628 118.8288 65.5095 31.3641 177.7260 1022 W 5.0455 8.3659 129.5294 60.4146 30.5473 178.0827 1023 S 4.8490 8.6891 116.3509 61.3640 62.2072 176.0250 1024 Y 4.3713 8.8535 122.5601 60.7365 38.5868 178.1523 1025 G 3.6503 8.5673 106.7380 48.1990 0.0000 175.7342 1026 V 3.8926 8.1355 120.8026 65.4774 31.4698 177.7921 1027 L 4.3544 8.4702 120.3952 58.2320 41.9703 178.5986 1028 L 3.8017 8.3467 120.7580 57.9923 41.9144 178.8082 1029 W 4.0907 8.3749 128.2162 60.5136 30.6203 177.7934 1030 E 4.2716 9.0981 119.1155 59.4099 28.9833 179.3873 1031 I 3.7683 8.2395 120.2399 64.5892 37.0557 178.7403 1032 V 3.6433 7.4714 117.7801 65.6263 31.4755 177.3493 1033 S 4.1086 7.4416 111.0063 57.6554 63.3031 173.7557 1034 L 3.5535 8.3318 120.9327 56.3528 39.0883 175.1643 1035 G 4.0672 8.5101 104.5081 45.1822 0.0000 174.7941 1036 G 3.9697 7.5230 105.6712 46.4745 0.0000 174.0098 1037 T 4.6138 8.6321 119.7333 62.1204 69.2110 173.2823 1038 P 2.9700 0.0000 0.0000 62.8699 32.1949 175.8370 1039 Y 3.5321 7.3301 119.7803 58.2231 35.6325 170.2180 1040 C 3.9996 8.1589 117.9067 61.5881 31.8862 173.6237 1041 G 3.9852 9.2315 114.9197 45.2594 0.0000 172.2966 1042 M 4.7946 7.8001 119.3743 53.6121 34.4552 175.6358 1043 T 4.2250 9.2563 122.8061 63.2492 69.5392 175.5675 1044 C 4.1492 8.7715 121.6363 63.0313 28.3921 176.3053 1045 A 4.1130 8.1970 121.3240 55.1186 18.0090 179.1337 1046 E 4.0736 7.8114 113.7493 58.4939 29.6279 179.2496 1047 L 3.7027 7.5610 121.1737 58.0004 41.4422 178.6164 1048 Y 3.9585 7.4494 114.3636 61.0378 37.8078 178.3050 1049 E 4.1848 8.0691 118.0494 58.8351 30.3342 178.4357 1050 K 4.2230 8.1300 118.0908 58.3735 32.4875 179.1041 1051 L 4.3144 7.7426 120.7329 56.9242 41.4098 177.5150 1052 P 4.2991 0.0000 0.0000 66.0890 31.3145 177.5370 1053 Q 4.1567 8.0494 112.4007 56.4998 28.2478 176.9290 1054 G 3.9803 8.6115 106.7520 45.4544 0.0000 173.5826 1055 Y 4.1670 7.8869 121.5239 57.5187 39.2816 175.1437 1056 R 4.4803 7.3068 124.1237 53.5220 34.3188 174.8990 1057 L 3.6743 7.8371 121.3327 56.0001 41.9531 178.0375 1058 E 4.4349 8.4056 117.7771 54.4196 30.8871 175.4563 1059 K 3.4862 7.7514 121.3146 55.9888 32.4369 175.2920 1060 P 4.4816 0.0000 0.0000 62.3482 32.0795 177.4247 1061 L 3.9790 8.3125 120.1983 57.8784 41.9380 178.2693 1062 N 4.6440 8.1485 113.3292 53.5422 37.6224 173.5210 1063 C 4.7347 7.3965 120.2389 58.0460 32.9185 172.6154 1064 D 4.6296 8.4183 125.8126 53.6458 41.8579 176.6831 1065 D 4.5476 8.8760 124.7584 57.9630 40.5302 179.3033 1066 E 4.0806 8.4832 118.5680 59.1692 29.5473 179.3910 1067 V 3.5823 7.8772 118.0673 65.8821 31.6869 177.3253 1068 Y 4.1325 7.9650 119.3782 60.5951 38.6394 177.5220 1069 D 4.1512 8.2395 119.9289 57.2729 40.8149 178.6145 1070 L 3.9106 7.4468 120.5298 58.3281 41.8479 178.7031 1071 M 3.2494 7.2247 117.2134 58.4080 32.0922 178.8414 1072 R 3.5618 7.0822 117.6171 58.8902 29.9686 179.1883 1073 Q 3.8608 7.6825 118.1136 58.9543 28.7606 178.1727 1074 C 4.3172 7.4874 116.7145 61.0199 27.8014 174.8668 1075 W 3.8560 6.7483 118.4088 55.6734 29.2911 176.0400 1076 R 3.9488 7.9043 117.8554 56.4789 30.0644 175.8394 1077 E 4.1146 9.1832 123.7366 59.3271 29.6690 177.4919 1078 K 3.8441 7.7882 120.4733 55.1024 31.5713 175.7825 1079 P 4.1955 0.0000 0.0000 65.6422 31.3778 177.5840 1080 Y 4.5663 7.1204 112.8267 57.4096 38.2544 175.4294 1081 E 4.4451 7.6678 119.8390 56.8379 30.7895 176.8217 1082 R 4.2995 7.4942 116.7571 54.5044 30.6603 174.8641 1083 P 4.5350 0.0000 0.0000 62.4106 32.2539 176.9114 1084 S 4.2623 9.1997 115.4289 57.9409 65.2573 175.2661 1085 F 4.1069 8.4829 121.4467 60.9529 38.4637 177.8332 1086 A 4.0800 8.0933 119.8201 55.2547 18.2050 179.4762 1087 Q 4.0056 7.8772 116.2569 58.8153 28.8448 178.7582 1088 I 3.7042 7.9453 121.2339 64.1366 37.0260 178.1770 1089 L 3.9663 8.0185 121.2700 58.0419 41.9190 179.0365 1090 V 3.5640 7.5600 118.1622 66.2179 31.4278 178.1902 1091 S 4.0671 8.0345 114.6659 61.6776 62.6183 176.7711 1092 L 3.9298 7.9455 121.6204 57.8229 41.4598 179.3380 1093 N 4.2791 8.4428 116.7391 56.0863 38.4416 177.4147 1094 R 3.8799 7.9494 120.2678 59.7087 29.9551 178.5775 1095 M 3.6631 7.3268 116.8163 58.2529 31.9246 178.5981 1096 L 4.2375 7.8438 118.0071 57.4322 41.7726 178.8595 1097 E 4.2134 7.8691 117.3607 57.6261 29.9452 177.2729 1098 E 4.1970 7.4974 119.6885 56.8386 30.1822 178.0933 1099 R 4.0587 8.5293 120.0921 58.7488 29.8481 178.2576 1100 K 3.6841 8.0286 118.0489 57.1623 32.3094 175.9317 1101 T 4.1898 8.2702 122.9244 63.8242 69.3789 173.8079 1102 Y 4.3925 8.7231 122.9491 58.3321 40.4035 175.3452 1103 V 4.7864 8.1445 119.6196 60.7316 33.4815 174.9788 1104 N 4.7054 9.4056 128.5835 53.7154 39.3790 174.5422 1105 T 4.7751 8.6730 114.1103 61.4224 70.7046 173.1055 1106 T 4.7373 8.0389 112.4109 60.7122 70.2837 174.9253 1107 L 3.7961 8.1021 124.2243 54.9337 42.6853 175.7344 1108 Y 4.8316 7.4879 117.6394 55.2879 41.0864 175.3032 1109 E 3.8379 8.9519 120.8837 59.7132 29.5911 178.0890 1110 K 4.4726 8.1771 114.8834 56.0630 32.2675 176.6959 1111 F 3.5046 7.6059 121.7243 58.7847 39.5088 174.5932 1112 T 4.1506 6.5688 120.1306 60.2626 70.2847 172.8895 1113 Y 4.1281 7.9537 125.4454 57.1614 38.7393 175.5111 1114 A 4.0851 8.5633 126.3354 52.1726 19.2534 178.0383 1115 G 3.8571 8.7335 111.5675 45.8493 0.0000 174.0667 1116 I 4.0937 8.4462 122.2355 62.1365 38.6273 175.4962 1117 D 4.5779 7.9885 122.4002 54.2378 41.2336 175.2944 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 838 V 8.15 4.41 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 0.97 0.00 0.00 0.96 0.00 0.00 839 L 8.87 4.75 0.00 1.32 1.45 0.92 0.34 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 0.00 840 K 9.08 4.43 0.00 1.59 1.62 0.00 0.72 0.00 0.00 0.70 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 841 A 8.39 4.49 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 0.00 842 R 8.55 4.75 0.00 1.61 1.72 0.00 3.38 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 843 I 9.17 2.89 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.90 0.00 0.00 *849 R 8.28 4.05 0.00 1.88 1.80 0.00 3.27 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 850 M 7.82 4.10 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.14 0.00 851 D 7.91 5.23 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 A 9.23 5.34 1.19 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 0.00 853 A 9.44 4.93 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 0.00 854 I 8.94 4.89 1.88 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 1.13 0.78 0.96 0.00 0.00 855 K 9.03 4.83 0.00 1.86 1.66 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 856 R 8.43 4.68 0.00 1.57 1.67 0.00 3.35 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 *871 G 8.75 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 0.00 872 E 7.96 4.23 0.00 2.03 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 2.36 0.00 873 L 7.85 4.02 0.00 1.76 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 874 E 8.10 3.95 0.00 2.08 1.93 0.00 0.00 0.00 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7.45 3.96 0.00 3.02 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 1049 E 8.07 4.18 0.00 1.90 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 2.30 2.61 0.00 1050 K 8.13 4.22 0.00 1.63 1.71 0.00 1.21 0.00 0.00 1.31 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.60 7.81 1051 L 7.74 4.31 0.00 1.69 1.80 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 1052 P 0.00 4.30 0.00 2.05 2.17 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 1053 Q 8.05 4.16 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 1054 G 8.61 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 0.00 0.00 0.00 1055 Y 7.89 4.17 0.00 3.04 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 1056 R 7.31 4.48 0.00 1.73 1.66 0.00 3.44 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 1057 L 7.84 3.67 0.00 0.93 1.43 -0.82 -0.26 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 1058 E 8.41 4.43 0.00 1.98 1.72 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 2.20 1.86 0.00 1059 K 7.75 3.49 0.00 0.79 1.20 0.00 1.61 0.00 0.00 1.44 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.12 7.81 1060 P 0.00 4.48 0.00 2.16 1.68 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 1061 L 8.31 3.98 0.00 1.65 1.74 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 1062 N 8.15 4.64 0.00 3.21 3.23 0.00 0.00 5.82 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 1063 C 7.40 4.73 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 1064 D 8.42 4.63 0.00 2.98 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 1065 D 8.88 4.55 0.00 2.80 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 1066 E 8.48 4.08 0.00 2.43 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 2.39 2.40 0.00 1067 V 7.88 3.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 1068 Y 7.96 4.13 0.00 3.05 3.16 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 1069 D 8.24 4.15 0.00 2.87 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 1070 L 7.45 3.91 0.00 1.63 1.74 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 1071 M 7.22 3.25 0.00 0.80 1.54 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.38 0.00 1072 R 7.08 3.56 0.00 1.62 1.70 0.00 3.12 0.00 0.00 2.81 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.33 0.00 1073 Q 7.68 3.86 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 1074 C 7.49 4.32 0.00 2.36 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 W 6.75 3.86 0.00 2.85 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 0.00 0.00 0.00 1076 R 7.90 3.95 0.00 1.75 1.84 0.00 3.32 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 1077 E 9.18 4.11 0.00 1.98 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 2.33 2.42 0.00 1078 K 7.79 3.84 0.00 1.62 0.74 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.31 7.81 1079 P 0.00 4.20 0.00 2.25 2.15 0.00 3.41 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 2.14 2.19 0.00 1080 Y 7.12 4.57 0.00 3.07 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 1081 E 7.67 4.45 0.00 1.93 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 2.26 2.12 0.00 1082 R 7.49 4.30 0.00 1.98 1.80 0.00 3.21 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 1083 P 0.00 4.54 0.00 2.06 1.96 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 1084 S 9.20 4.26 0.00 4.01 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 1085 F 8.48 4.11 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1086 A 8.09 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 Q 7.88 4.01 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 1088 I 7.95 3.70 1.94 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 1.35 0.77 0.86 0.00 0.00 1089 L 8.02 3.97 0.00 1.88 1.83 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1090 V 7.56 3.56 2.22 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 0.96 0.00 0.00 1.01 0.00 0.00 1091 S 8.03 4.07 0.00 3.88 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 1092 L 7.95 3.93 0.00 1.85 1.69 1.06 0.60 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 1093 N 8.44 4.28 0.00 2.91 2.86 0.00 0.00 6.64 8.43 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 1094 R 7.95 3.88 0.00 1.98 2.08 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 1095 M 7.33 3.66 0.00 0.80 1.80 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.70 0.00 1096 L 7.84 4.24 0.00 1.53 1.66 0.65 1.01 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 1097 E 7.87 4.21 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 1098 E 7.50 4.20 0.00 2.45 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 1099 R 8.53 4.06 0.00 1.83 1.85 0.00 3.29 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 1100 K 8.03 3.68 0.00 1.53 1.46 0.00 1.47 0.00 0.00 0.73 0.00 0.00 2.67 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.65 1.17 7.81 1101 T 8.27 4.19 4.18 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 1.21 0.00 0.00 1102 Y 8.72 4.39 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1103 V 8.14 4.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 1104 N 9.41 4.71 0.00 2.73 2.80 0.00 0.00 7.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1105 T 8.67 4.78 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 1.36 0.00 0.00 1106 T 8.04 4.74 4.28 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 1.19 0.00 0.00 1107 L 8.10 3.80 0.00 1.34 1.32 0.82 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 1108 Y 7.49 4.83 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 E 8.95 3.84 0.00 2.00 2.15 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 2.35 2.41 0.00 1110 K 8.18 4.47 0.00 1.97 1.90 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.41 7.81 1111 F 7.61 3.50 0.00 1.95 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 1112 T 6.57 4.15 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 1.04 0.00 0.00 1113 Y 7.95 4.13 0.00 3.01 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 1114 A 8.56 4.09 1.22 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 1115 G 8.73 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1116 I 8.45 4.09 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.96 0.00 0.00 1117 D 7.99 4.58 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.