NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 5.0155 8.4293 116.4689 55.9425 30.3321 171.5483 880 Q 4.5842 8.3407 116.1206 53.3824 32.4620 172.4928 881 S 5.3195 9.0483 115.7949 57.9334 66.1693 172.8337 882 Y 4.5659 7.7542 115.5583 58.4281 41.9084 173.1987 883 D 4.7530 8.9461 116.7631 56.1596 43.6367 175.4645 884 C 5.2881 8.0185 115.4342 57.7335 30.5316 172.5923 885 V 4.4864 8.0491 120.3855 61.4434 34.2206 174.5198 886 C 5.7092 8.9126 127.9103 57.1912 33.7132 172.2495 887 V 4.5673 8.2416 126.2436 61.2785 33.7429 173.7303 888 M 5.3799 8.7248 127.1476 53.7648 35.5175 173.8607 889 F 5.3963 9.6030 124.2179 55.6297 42.6314 174.3115 890 A 5.2033 9.1895 124.5821 50.4743 21.6899 175.2527 891 S 5.1883 8.8685 116.5039 56.7742 66.7878 173.6503 892 I 4.8046 8.0278 120.4470 59.0505 36.4173 174.5496 893 P 4.4832 0.0000 0.0000 64.7832 31.7919 178.3813 894 D 4.3507 8.4667 117.0954 56.6529 41.5000 178.1567 895 F 4.4991 8.5662 121.3923 61.2885 39.3195 176.8730 896 K 4.0677 7.5870 117.3506 60.6536 32.0765 177.4151 897 E 4.1096 8.4976 118.7521 57.9722 29.2620 178.3023 898 F 4.2310 8.0886 123.4599 60.1792 40.2756 175.6418 899 Y 4.1012 7.7155 118.7097 57.5502 37.2192 174.6413 900 T 4.1800 7.2743 123.1570 61.7776 70.4894 174.0501 901 E 4.7357 7.8626 121.6630 54.8145 32.8589 175.3239 902 S 4.5539 8.1472 116.0106 57.1228 65.5793 175.1268 903 D 4.6131 8.7756 121.3800 57.7570 40.8185 178.8558 904 V 3.6006 7.3661 118.2390 65.0258 31.7531 175.5737 905 N 4.7612 8.2518 119.9572 50.7865 38.0709 174.5983 906 K 4.4091 8.3834 125.0363 57.5889 29.6420 176.7728 907 E 3.9384 10.4562 122.3896 57.2407 27.4561 176.0762 908 G 4.0052 8.1716 105.3597 45.3867 0.0000 176.1377 909 L 4.0583 7.8815 121.6790 58.2290 42.0445 178.5213 910 E 4.0845 8.3375 116.3396 59.3693 29.4605 178.9948 911 C 4.5363 8.1258 116.4805 62.8167 28.6858 175.5119 912 L 3.6131 7.8615 119.4256 58.2801 41.1867 179.8487 913 R 3.9592 8.5401 119.0221 59.2424 30.0619 178.1908 914 L 4.1396 9.1552 121.2941 57.3913 42.1180 178.5691 915 L 3.6587 8.0287 120.1940 57.9205 42.0765 177.8789 916 N 4.1648 8.0741 116.9488 57.1364 39.0138 176.5014 917 E 3.9282 8.3181 119.4671 59.3993 29.3870 178.8302 918 I 3.6569 7.3042 119.4651 62.9685 37.4871 177.7482 919 I 3.5357 7.9363 120.4062 64.8327 37.1022 177.8830 920 A 3.9785 8.1057 121.1415 55.3899 18.0403 179.1686 921 D 4.4556 7.4144 115.1070 57.6211 41.1148 179.5725 922 F 4.5608 8.0806 118.2596 60.7029 38.9892 177.6528 923 D 4.6042 8.3817 118.4681 57.3962 40.3754 178.2670 924 D 4.4602 8.4232 119.1854 57.3398 41.2077 178.6210 925 L 4.3420 8.2968 119.7140 56.8805 41.5524 178.7808 926 L 4.1623 7.9593 118.5481 58.1765 41.8686 178.6002 927 S 4.3090 8.5694 112.6034 61.7432 62.6982 175.1407 928 K 4.1519 8.0296 118.1038 55.3146 32.8297 175.5860 929 P 4.2601 0.0000 0.0000 65.8493 31.4163 178.4897 930 K 4.0226 7.8982 115.6303 57.8432 32.5294 176.9130 931 F 5.1599 7.8216 117.9347 57.3129 39.7828 176.9185 932 S 4.1498 8.5029 119.1655 61.4580 62.5374 176.2265 933 G 3.6946 8.0461 108.5809 47.5633 0.0000 174.1732 934 V 3.4682 7.7455 120.5002 62.5485 31.9922 174.8092 935 E 4.3928 8.5158 127.3029 53.8124 32.1255 174.5763 936 K 3.8691 8.6299 128.5166 57.2949 32.3687 175.9192 937 I 4.1278 8.0004 126.5209 61.3139 39.1722 176.1490 938 K 4.2917 6.5998 120.5461 56.7258 34.6746 173.5297 939 T 4.7083 8.3508 111.3302 59.9514 71.1813 173.4722 940 I 4.3081 9.5160 127.8210 59.9706 39.4448 177.5565 941 G 3.9144 8.4559 117.3988 46.8872 0.0000 173.2735 942 S 4.6095 8.8357 116.4185 57.9325 63.4282 172.6749 943 T 4.7657 8.4976 118.7242 62.9374 70.8059 172.9300 944 Y 4.6123 9.1069 128.1795 56.5709 41.0115 173.8366 945 M 4.7884 7.7548 124.5969 53.6615 35.5756 173.7443 946 A 4.7744 8.3868 125.6986 50.8659 23.5272 174.6089 947 A 5.4139 8.5174 120.0430 49.3380 23.1351 175.2246 948 T 4.6283 9.7885 110.5704 59.5562 71.3133 174.2096 949 G 3.5150 8.7345 119.5328 46.3549 0.0000 174.7277 950 L 4.3559 7.4289 117.2119 55.6812 41.1873 177.6108 951 S 4.6267 7.9467 114.0040 59.0648 64.8304 173.8597 952 A 4.6599 7.7020 120.9233 52.3966 19.4243 178.7007 *964 R 4.3940 8.6709 119.7852 57.8115 30.7917 176.7686 965 Q 4.3831 9.0428 116.2452 56.1975 30.4433 174.6790 966 Y 4.9230 7.7344 113.6573 58.0045 38.5414 176.5983 967 M 4.0693 8.2763 122.2031 59.2612 32.1112 177.8197 968 H 4.3754 8.3546 116.0231 57.9821 28.6896 177.6848 969 I 3.7266 7.5067 122.7986 64.0564 36.7308 178.1768 970 G 3.9467 8.1948 104.7145 48.7094 0.0000 174.8252 971 T 4.0773 8.2637 118.7543 66.7247 68.4471 175.5689 972 M 4.0567 8.1157 119.0681 59.1419 32.2947 178.4293 973 V 3.4584 7.6244 117.4149 66.3830 31.3883 177.8470 974 E 4.3784 8.3411 116.4083 58.7863 29.5385 178.9991 975 F 3.5752 8.7369 121.5846 61.1592 39.5279 176.4365 976 A 3.7746 8.2066 119.7072 55.6951 17.9128 178.6660 977 Y 4.4491 8.0072 113.7907 61.5825 38.2812 179.1420 978 A 4.1477 7.9462 120.1895 54.0744 18.0589 179.4929 979 L 3.6421 7.8563 118.5497 57.3450 41.5773 179.3478 980 V 3.8102 7.7407 117.9226 65.7675 31.1489 178.2084 981 G 3.5338 7.6415 104.8252 47.7430 0.0000 175.1759 982 K 4.0328 7.8232 121.5698 59.1532 32.1660 179.1034 983 L 3.9580 9.1011 120.8526 58.2819 42.3235 178.4966 984 D 4.4835 8.3997 117.8493 56.3185 40.1522 178.3352 985 A 4.1225 7.7075 122.1136 54.6703 18.4354 179.7922 986 I 3.5228 7.7841 118.4081 64.5894 37.1690 177.9308 987 N 4.1981 8.2933 116.9450 56.5379 38.1453 176.7518 988 K 3.6043 6.9372 117.8543 59.6943 32.3010 177.2868 989 H 4.6149 7.2410 112.4759 55.7552 29.6484 176.1108 990 S 4.7378 8.0133 115.1482 56.6465 64.6473 174.1307 991 F 3.4865 7.2808 119.2365 58.2163 36.3341 172.6398 992 N 4.6919 7.2518 117.4638 52.4723 42.4227 172.6836 993 D 4.4390 7.7678 118.2121 52.4517 42.7097 174.0959 994 F 5.0088 8.4858 124.1755 55.6557 41.5422 175.4087 995 K 4.6138 8.7593 124.7350 54.8861 34.1616 175.2577 996 L 4.8555 8.1662 122.3593 53.8053 44.9355 175.4715 997 R 4.7321 9.4537 125.1443 54.4349 31.6886 173.9203 998 V 4.6120 8.1910 124.1473 61.6535 33.3425 174.6609 999 G 4.3708 9.5551 114.9499 44.6091 0.0000 171.9422 1000 I 5.7611 7.8407 122.5186 59.1373 41.8529 174.2748 1001 N 4.6639 8.3006 120.0510 56.0138 42.2969 172.3876 1002 H 5.7349 7.9130 111.0165 56.4369 30.7836 173.2300 1003 G 3.6725 8.4941 105.5908 43.5302 0.0000 170.3004 1004 P 4.7002 0.0000 0.0000 63.3075 31.6495 176.2953 1005 V 4.8295 8.5565 116.7308 59.6711 36.4498 174.1868 1006 I 5.0604 8.5753 120.2906 60.0718 41.2395 175.3931 1007 A 4.7921 8.8800 124.9841 50.2783 18.9857 176.6976 1008 G 4.1988 7.7861 112.9997 45.0881 0.0000 169.2369 1009 V 5.1255 8.4442 122.3433 59.9377 34.1728 175.4593 1010 I 4.5719 8.4989 127.7867 60.0357 40.4039 170.9284 1011 G 4.1062 9.0646 125.0318 44.7743 0.0000 173.6130 1012 A 4.1809 8.6032 125.6100 54.8039 19.0376 179.0040 1013 Q 4.1203 8.2767 114.2709 58.3620 28.8862 176.9503 1014 K 4.4152 7.7238 116.2462 53.9060 34.6976 173.9933 1015 P 4.7837 0.0000 0.0000 62.0030 31.7809 175.8041 1016 Q 4.6383 8.2118 120.7209 53.9190 32.7995 174.4742 1017 Y 4.9580 8.5936 124.4461 56.9732 39.1838 174.0302 1018 D 4.5352 8.4177 125.6579 52.8879 44.4737 174.0132 1019 I 4.2947 7.8276 118.9823 58.6158 39.5736 175.3361 1020 W 4.7888 9.0612 125.9112 54.9708 32.0774 174.1375 1021 G 4.4749 9.2789 105.4019 43.4209 0.0000 174.1519 1022 N 4.3103 9.2435 119.7531 57.7011 38.9018 177.8416 1023 T 3.8138 7.7459 114.1293 66.3227 68.8302 176.0789 1024 V 3.6766 7.6546 120.3489 66.2730 31.6641 177.6657 1025 N 4.2887 8.4425 116.4724 56.3689 38.2576 177.6593 1026 V 3.4763 7.6930 118.8117 65.9711 31.6225 177.7462 1027 A 4.1257 7.6621 119.4306 55.0201 18.0851 179.4704 1028 S 3.1874 7.4985 111.3506 60.9031 62.5034 176.3265 1029 R 3.9313 7.6045 122.1481 58.9509 29.5506 178.8558 1030 M 4.0523 8.1303 117.9530 59.0257 32.1375 177.2619 1031 D 4.4025 7.9047 117.9221 55.4584 40.7138 177.5239 1032 S 4.1326 8.1701 117.4131 60.8773 62.9307 176.0660 1033 T 4.7255 7.4412 109.9961 61.1396 69.7774 175.0783 1034 G 4.2039 8.4788 117.5962 45.8839 0.0000 173.9819 1035 V 4.5138 8.1872 120.8528 60.8202 34.7362 174.2733 1036 L 4.0075 8.4357 125.9885 56.6520 41.8626 176.7927 1037 D 4.6012 9.2362 121.2395 54.5530 40.0624 172.9543 1038 K 4.7732 7.7031 114.8380 54.6673 36.4064 174.7958 1039 I 4.6902 8.2871 119.7551 59.7957 39.6817 174.5054 1040 Q 4.9614 8.5686 129.4297 54.6809 30.8056 174.8295 1041 V 4.7326 9.2550 120.0482 59.6505 36.8688 175.3098 1042 T 4.4853 8.2345 112.0965 60.6835 70.1920 175.3448 1043 E 3.7883 8.9166 121.8558 59.9015 28.9670 178.2737 1044 E 3.9488 8.1947 117.6588 59.7264 29.4858 179.0089 1045 T 3.7254 7.9191 115.1120 66.8513 68.5895 176.4080 1046 S 3.9874 8.3788 115.9140 61.5935 62.5722 176.0753 1047 L 3.7977 7.0068 121.7890 57.5536 41.7036 179.1529 1048 I 3.7119 7.2498 118.4067 64.7569 37.2449 178.5786 1049 L 4.1847 7.9152 119.3822 57.8584 41.3788 179.5768 1050 Q 4.5622 8.7111 119.9950 57.8690 28.3070 177.0264 1051 T 4.8390 7.6330 110.0186 61.5950 70.1226 175.4622 1052 L 4.5290 7.5188 118.3735 55.7531 43.5853 176.4109 1053 G 3.8009 8.3948 104.8089 46.8795 0.0000 173.5923 1054 Y 5.0726 7.4403 115.6154 55.9910 40.4787 174.9708 1055 T 4.8440 8.4331 112.3654 60.4254 71.9502 172.6446 1056 C 5.5797 8.5830 119.2409 58.8409 33.0128 173.3269 1057 T 4.7970 9.1049 116.5136 62.0008 72.5169 172.9040 1058 C 3.6087 8.4772 126.0790 58.3387 31.3476 173.3861 1059 R 4.0183 7.8680 127.8547 57.3315 30.1698 176.4130 1060 G 4.0440 7.8275 103.7774 44.2725 0.0000 173.2902 1061 I 4.9615 8.2361 124.6590 59.4373 40.1582 174.8141 1062 I 4.6755 8.1034 125.3887 59.4820 41.4309 174.1762 1063 N 5.4342 8.7602 124.5984 52.7938 39.5245 174.0955 1064 V 4.3818 8.9294 125.4703 60.8876 34.0113 176.5894 1065 K 3.9694 9.0862 127.3014 59.1665 32.0969 178.1320 1066 G 3.9449 7.9181 104.8704 45.8363 0.0000 173.4654 1067 K 4.6084 7.1981 120.1812 55.9563 33.9974 177.9529 1068 G 3.7848 8.0030 109.9558 46.5998 0.0000 175.3291 1069 D 5.6193 8.4423 123.6790 52.1973 44.2829 173.6322 1070 L 4.8123 8.8395 121.5409 54.0374 44.2726 175.0675 1071 K 5.0739 8.9576 120.3043 56.7574 32.8504 176.1189 1072 T 5.0130 8.2205 112.6768 60.4639 72.9896 171.7787 1073 Y 4.9032 9.0565 118.1071 56.5519 42.9250 174.2890 1074 F 5.9143 9.0838 120.2705 55.1271 41.7649 175.8155 1075 V 4.2915 8.4922 122.0614 62.9918 32.5008 174.5659 1076 N 5.0719 8.4784 122.4723 51.5493 40.3885 175.5462 1077 T 4.6682 8.4697 117.7185 63.5774 68.5453 174.2604 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 879 H 8.43 5.02 0.00 3.23 3.41 0.00 5.48 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.34 4.58 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 881 S 9.05 5.32 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 0.00 882 Y 7.75 4.57 0.00 3.15 2.93 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 0.00 883 D 8.95 4.75 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 C 8.02 5.29 0.00 3.11 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 0.00 885 V 8.05 4.49 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 0.53 0.00 0.00 0.68 0.00 0.00 886 C 8.91 5.71 0.00 2.98 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 0.00 887 V 8.24 4.57 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.90 0.00 0.00 888 M 8.72 5.38 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 889 F 9.60 5.40 0.00 2.95 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 0.00 890 A 9.19 5.20 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 0.00 891 S 8.87 5.19 0.00 3.97 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 0.00 892 I 8.03 4.80 1.73 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 1.49 1.31 0.69 0.00 0.00 893 P 0.00 4.48 0.00 2.27 2.17 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 894 D 8.47 4.35 0.00 3.11 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 0.00 895 F 8.57 4.50 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 K 7.59 4.07 0.00 1.98 2.00 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.66 7.81 897 E 8.50 4.11 0.00 2.16 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 2.45 2.43 0.00 898 F 8.09 4.23 0.00 3.05 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 0.00 899 Y 7.72 4.10 0.00 2.76 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 900 T 7.27 4.18 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 901 E 7.86 4.74 0.00 1.72 1.68 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 1.79 1.80 0.00 902 S 8.15 4.55 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 903 D 8.78 4.61 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 904 V 7.37 3.60 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 0.74 0.00 0.00 0.89 0.00 0.00 905 N 8.25 4.76 0.00 2.87 2.85 0.00 0.00 7.05 6.84 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 0.00 906 K 8.38 4.41 0.00 1.85 1.83 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 907 E 10.46 3.94 0.00 2.04 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 2.24 2.27 0.00 908 G 8.17 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 909 L 7.88 4.06 0.00 1.79 1.80 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.34 4.08 0.00 1.98 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 0.00 2.35 2.39 0.00 911 C 8.13 4.54 0.00 3.41 3.28 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 0.00 912 L 7.86 3.61 0.00 2.03 1.85 0.99 0.86 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 0.00 913 R 8.54 3.96 0.00 1.96 2.17 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 914 L 9.16 4.14 0.00 1.91 2.11 1.00 0.67 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 0.00 915 L 8.03 3.66 0.00 1.78 1.77 0.39 0.17 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 0.00 916 N 8.07 4.16 0.00 3.10 2.89 0.00 0.00 7.26 7.81 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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5.73 0.00 3.33 3.16 0.00 5.18 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 8.49 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 0.00 0.00 0.00 1004 P 0.00 4.70 0.00 2.00 2.09 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 1005 V 8.56 4.83 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 1.00 0.00 0.00 0.81 0.00 0.00 1006 I 8.58 5.06 2.23 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.33 0.00 0.00 1007 A 8.88 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 G 7.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 V 8.44 5.13 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 1.17 0.00 0.00 0.84 0.00 0.00 1010 I 8.50 4.57 2.42 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.99 0.00 0.00 1011 G 9.06 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 A 8.60 4.18 1.31 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 0.00 0.00 1013 Q 8.28 4.12 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 1014 K 7.72 4.42 0.00 1.68 1.70 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.49 7.81 1015 P 0.00 4.78 0.00 1.93 2.02 0.00 3.62 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 2.01 2.29 0.00 1016 Q 8.21 4.64 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 1017 Y 8.59 4.96 0.00 2.87 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 1018 D 8.42 4.54 0.00 2.47 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 0.00 0.00 0.00 1019 I 7.83 4.29 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.48 0.66 0.00 0.00 1020 W 9.06 4.79 0.00 3.43 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 G 9.28 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 N 9.24 4.31 0.00 2.78 2.86 0.00 0.00 6.94 7.22 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 1023 T 7.75 3.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1024 V 7.65 3.68 2.31 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 1.21 0.00 0.00 1.02 0.00 0.00 1025 N 8.44 4.29 0.00 2.83 2.85 0.00 0.00 6.74 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 V 7.69 3.48 2.33 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 1.06 0.00 0.00 0.98 0.00 0.00 1027 A 7.66 4.13 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1028 S 7.50 3.19 0.00 2.89 3.71 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 1029 R 7.60 3.93 0.00 2.03 1.91 0.00 3.16 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 1030 M 8.13 4.05 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.79 0.00 1031 D 7.90 4.40 0.00 2.74 2.57 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 1032 S 8.17 4.13 0.00 4.07 4.09 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 1033 T 7.44 4.73 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 1.19 0.00 0.00 1034 G 8.48 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 V 8.19 4.51 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 0.89 0.00 0.00 1.02 0.00 0.00 1036 L 8.44 4.01 0.00 1.69 1.65 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 9.24 4.60 0.00 2.81 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 1038 K 7.70 4.77 0.00 1.84 1.71 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.22 7.81 1039 I 8.29 4.69 1.76 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.80 0.00 0.00 1040 Q 8.57 4.96 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.64 0.00 0.00 0.00 0.00 0.00 2.03 1.66 0.00 1041 V 9.26 4.73 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 0.58 0.00 0.00 0.92 0.00 0.00 1042 T 8.23 4.49 4.39 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 1.25 0.00 0.00 1043 E 8.92 3.79 0.00 2.10 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 2.36 2.51 0.00 1044 E 8.19 3.95 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 1045 T 7.92 3.73 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 1.10 0.00 0.00 1046 S 8.38 3.99 0.00 3.32 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 L 7.01 3.80 0.00 1.57 1.72 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.25 3.71 1.58 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.35 0.00 0.00 1049 L 7.92 4.18 0.00 1.83 1.75 0.84 0.69 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 1050 Q 8.71 4.56 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 1051 T 7.63 4.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1052 L 7.52 4.53 0.00 1.76 1.48 1.06 1.24 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 1053 G 8.39 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 1054 Y 7.44 5.07 0.00 3.40 2.73 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 1055 T 8.43 4.84 4.32 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 1.27 0.00 0.00 1056 C 8.58 5.58 0.00 2.86 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 1057 T 9.10 4.80 4.42 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 1.29 0.00 0.00 1058 C 8.48 3.61 0.00 2.30 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1059 R 7.87 4.02 0.00 1.17 1.52 0.00 3.37 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 1060 G 7.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 I 8.24 4.96 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.89 0.00 0.00 1062 I 8.10 4.68 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.88 0.00 0.00 1063 N 8.76 5.43 0.00 2.72 2.69 0.00 0.00 7.05 7.71 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 1064 V 8.93 4.38 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 0.93 0.00 0.00 0.91 0.00 0.00 1065 K 9.09 3.97 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 1066 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 K 7.20 4.61 0.00 1.68 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.38 7.81 1068 G 8.00 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 1069 D 8.44 5.62 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.81 0.00 1.70 1.70 0.90 0.78 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 1071 K 8.96 5.07 0.00 1.73 1.92 0.00 1.96 0.00 0.00 2.58 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.30 7.81 1072 T 8.22 5.01 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 1.14 0.00 0.00 1073 Y 9.06 4.90 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1074 F 9.08 5.91 0.00 2.96 2.93 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 1075 V 8.49 4.29 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 0.71 0.00 0.00 0.68 0.00 0.00 1076 N 8.48 5.07 0.00 2.74 2.78 0.00 0.00 6.98 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 1077 T 8.47 4.67 4.21 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.