NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.2975 8.3149 122.1412 54.5101 33.5729 173.9680 1 D 4.6873 8.2070 115.7840 54.2964 42.8744 173.8189 2 I 4.3784 8.4179 121.9132 60.7611 40.1891 175.3582 3 Q 4.4280 8.6821 126.6721 55.1875 28.7510 171.6103 4 M 4.4702 8.6995 124.8173 53.8035 33.2249 175.8470 5 T 4.5314 8.5486 119.4561 61.8578 71.5972 173.6368 6 Q 4.8631 8.4936 126.0818 53.6209 27.7668 175.2099 7 T 3.9018 8.3875 113.1550 64.6848 69.0072 175.6996 8 T 4.1794 7.7276 116.6061 60.1573 68.0031 174.3618 9 S 4.4008 8.5409 122.6335 60.4268 63.7619 173.5709 10 S 4.8708 7.2860 113.2012 57.8909 64.9766 173.9491 11 L 4.5979 8.2655 121.9389 55.1676 43.6440 173.3802 12 S 5.1189 8.3522 113.9820 56.9011 66.2528 173.0945 13 A 4.3537 8.2723 118.4041 51.0693 21.6399 176.4562 14 S 4.2817 8.3523 119.4021 58.6742 63.8340 174.3395 15 L 4.0969 8.3071 120.5048 55.7172 42.1226 178.1197 16 G 3.8662 8.6002 109.3313 45.6212 0.0000 173.3089 17 D 4.6452 7.5710 119.1433 53.3327 43.2429 175.7632 18 R 4.6298 8.2414 121.8223 54.8917 29.8105 175.4114 19 V 3.8359 8.0302 125.8699 62.5943 33.2018 174.6589 20 T 4.7425 8.1245 122.1277 61.7926 71.7562 173.1435 21 V 4.3600 8.5284 127.6048 60.9524 33.6619 174.3300 22 S 5.2135 8.7832 122.3500 56.8672 64.5444 174.0773 23 C 4.8719 8.9911 123.6828 55.3299 41.0797 172.3116 24 R 5.0974 8.1647 114.7200 56.1213 32.6933 173.7379 25 A 4.7476 8.9005 129.0881 51.5784 19.6962 176.8265 26 S 4.6606 8.5660 110.3131 56.9152 63.3401 173.8378 27 Q 4.8595 8.2879 121.7279 57.2145 29.7097 172.4333 28 D 4.4445 7.8764 121.8590 53.5971 40.6382 175.8425 29 I 4.1072 8.2043 120.5630 59.6572 38.8997 175.7789 30 R 3.7030 9.0618 117.7133 57.6501 28.1882 177.4416 31 N 5.0073 8.5006 114.1399 55.3874 39.1250 175.0800 32 Y 4.1322 7.4002 116.3647 57.5805 35.1252 174.4641 33 L 4.6572 7.1011 122.7361 53.1389 46.4317 174.4764 34 N 5.4364 8.8331 121.0096 51.5120 43.7438 173.1684 35 W 5.1636 9.1351 120.0814 55.2917 32.8783 174.4068 36 Y 5.2558 9.3591 120.1316 56.2883 41.9902 174.0736 37 Q 4.1845 8.7288 123.5390 54.2728 31.7565 174.1593 38 Q 4.6330 8.7944 128.9927 53.5637 29.7111 175.0007 39 K 4.0698 8.4831 126.0160 55.9937 32.4733 175.6033 40 P 4.3922 0.0000 0.0000 65.7911 31.9221 178.3956 41 D 4.5822 8.1148 119.0653 55.2625 38.2080 176.2476 42 G 4.2021 8.0283 102.3624 47.4350 0.0000 172.7431 43 T 4.5492 7.7995 115.7339 61.0287 69.8652 173.3800 44 V 4.4165 7.9714 121.6590 61.2028 34.1350 174.1050 45 K 4.6503 8.6455 127.4766 54.5864 34.7765 175.1409 46 F 5.0198 8.9264 126.8589 58.1013 39.8568 173.9653 47 L 4.3359 8.5262 125.4894 55.7696 43.2556 176.1575 48 I 5.0062 7.2630 118.4374 59.4479 41.2199 173.4887 49 Y 5.2343 8.2571 123.2771 55.4245 41.3973 174.4694 50 Y 3.2787 10.0688 119.3494 58.2483 37.9761 170.2457 51 T 3.8543 8.8887 124.4446 63.8598 67.8700 174.4150 52 S 4.6609 7.5258 109.9405 57.3084 64.7541 173.8390 53 R 3.9633 7.4706 122.4055 56.0831 30.5493 175.7589 54 L 4.5354 8.3424 124.7239 53.8684 42.6919 176.8296 55 Q 4.2823 9.0238 125.6816 55.1937 30.2767 173.9447 56 P 4.3534 0.0000 0.0000 64.1920 32.0596 174.7654 57 G 4.1175 9.0362 109.6790 46.0571 0.0000 174.7454 58 V 3.3241 6.9708 118.8880 61.7563 32.0219 173.8073 59 P 4.3251 0.0000 0.0000 62.8058 31.5113 177.5761 60 S 4.0168 8.7456 118.6747 60.9995 63.2440 175.3236 61 R 4.1980 8.1382 116.2144 56.7019 29.5387 175.8428 62 F 5.0222 8.3295 118.7304 56.0484 41.4331 175.0315 63 S 5.2955 7.8324 120.2097 58.7021 64.1892 176.9156 64 G 4.6006 8.3325 110.4474 44.5599 0.0000 172.0299 65 S 4.6245 8.7649 115.1244 57.5815 68.3124 172.9647 66 G 3.7009 8.7407 105.5343 45.8094 0.0000 172.9136 67 S 4.7051 7.5596 112.9667 59.2942 65.7849 176.3763 68 G 4.0609 8.4689 114.8580 45.0407 0.0000 174.4006 69 T 4.8094 8.5742 112.9102 61.1090 69.8512 172.0013 70 D 4.8319 7.5943 122.4701 53.6319 43.1824 173.8666 71 Y 5.2779 8.5828 117.5108 55.7319 41.4809 174.7023 72 S 5.2542 8.4830 113.0719 57.5867 66.3339 173.5010 73 L 4.0141 7.5178 125.9424 54.3426 43.4497 175.4336 74 T 4.5909 7.9941 121.4785 62.0805 71.6599 174.2916 75 I 3.7049 8.5412 129.2581 58.8997 36.9609 174.6169 76 N 4.0679 8.5631 123.3078 54.8277 39.3489 175.9320 77 N 3.9218 8.6844 112.6373 53.2499 35.7645 173.3410 78 L 3.9746 8.9936 133.2457 56.2779 43.4131 175.9002 79 E 4.8891 8.8749 119.9346 54.9817 33.4622 176.8679 80 Q 3.8232 8.6901 124.4954 59.2215 29.6066 177.9535 81 E 4.3889 8.0329 114.0087 56.9296 29.9723 176.4526 82 D 5.0808 8.1286 118.8301 54.8278 43.0902 176.7894 83 I 3.8313 7.3190 119.2105 61.4520 37.8959 176.2938 84 G 3.9810 6.9579 108.8674 44.6116 0.0000 171.3275 85 T 4.9116 8.1024 117.0653 62.0031 71.0432 173.3965 86 Y 5.1691 8.9384 124.6547 57.1776 39.9412 175.0651 87 F 5.2982 9.8292 122.8091 56.0953 42.7662 172.6686 88 C 5.0175 8.6514 113.9320 53.7338 44.4692 172.1182 89 Q 4.6280 8.6826 127.0696 55.2117 30.2475 175.2830 90 Q 4.3976 8.2143 125.0830 55.4471 30.6341 176.1805 91 G 3.0920 8.0202 103.5729 45.5171 0.0000 175.0961 92 N 4.0657 8.8287 120.0977 54.9075 39.4380 175.2835 93 T 4.5157 7.5141 119.4203 60.5816 69.9692 172.3324 94 P 4.1836 0.0000 0.0000 61.5518 31.6925 174.4866 95 P 4.0323 0.0000 0.0000 62.0674 32.0068 176.3362 96 W 4.8270 7.4519 121.4797 57.6899 30.0624 175.5833 97 T 4.9219 8.2387 111.7117 60.6268 71.6321 173.4407 98 F 5.0541 8.9436 124.8387 56.1597 40.8107 176.9192 99 G 4.1139 8.6822 110.9227 46.7544 0.0000 175.3637 100 G 4.1452 9.0168 110.8712 44.4473 0.0000 172.7208 101 G 3.9404 7.7137 106.6106 45.8063 0.0000 174.1014 102 T 4.7254 7.7524 117.6254 59.0242 69.1383 171.1933 103 K 3.8172 8.3283 124.3733 56.9935 33.6519 174.3669 104 L 4.9386 9.4487 130.7712 53.5262 43.2973 174.0704 105 E 4.9138 8.8479 127.0398 56.3194 32.6455 179.4278 106 I 4.2797 8.6905 125.5203 61.3452 39.1142 173.4943 107 K 3.7382 8.6684 126.7250 55.1649 31.9407 176.9684 108 R 4.1122 8.4095 122.1439 55.1445 30.1150 174.1383 *109 G 3.7414 8.4161 102.9960 47.7389 0.0000 173.7313 *1001 E 4.1653 8.2738 118.5581 56.5851 31.3258 175.3303 1002 V 4.5631 8.6495 119.8057 61.4870 35.0517 172.3792 1003 Q 3.4034 7.9638 116.8943 56.1650 29.2519 173.7935 1004 L 4.0645 7.8541 122.1641 55.0629 42.9400 177.1879 1005 Q 4.3589 8.4457 126.8643 54.5041 30.5634 175.4774 1006 Q 5.0256 8.6551 126.0316 54.3250 30.7323 175.5900 1007 S 4.4784 8.3120 114.6162 58.4554 65.3608 173.6923 1008 G 4.2975 8.0666 106.8311 44.0346 0.0000 172.2088 1009 P 4.4740 0.0000 0.0000 63.2449 31.5381 175.5670 1010 E 4.7379 8.3542 122.8197 54.8387 32.2589 175.5425 1011 L 4.8861 8.1288 122.7233 53.6019 44.6421 175.0910 1012 V 4.5553 8.3459 125.3086 60.6707 36.0053 173.8458 1013 K 4.1982 8.4737 125.8008 55.1214 33.5375 172.1516 1014 P 4.0922 0.0000 0.0000 65.0135 31.2663 174.4945 1015 G 3.3430 7.3607 109.1845 44.6443 0.0000 171.3665 1016 A 4.8270 7.8947 122.5136 50.0735 22.4647 176.5680 1017 S 4.8429 8.2462 114.8532 57.4207 65.3642 173.5695 1018 V 4.6315 7.8229 112.6667 60.1361 36.4187 174.3863 1019 K 5.4561 8.2530 122.6126 53.6998 33.6647 175.4494 1020 I 4.3444 8.0335 127.8332 60.7054 39.2057 174.9242 1021 S 5.0875 8.6232 118.9765 56.7409 66.2152 172.9759 1022 C 4.6708 9.3223 125.2581 55.1295 39.9390 172.1358 1023 K 4.6405 8.9082 129.1251 54.0974 32.3864 173.5337 1024 D 4.7089 8.2498 125.2529 53.9698 41.6099 175.5378 1025 S 4.4376 8.2947 118.7532 58.7510 65.4317 175.9330 1026 G 3.9937 7.6982 108.7529 45.5468 0.0000 172.0031 1027 Y 4.7370 8.4052 114.7058 58.5223 40.1975 176.4179 1028 A 4.5822 7.8547 123.2538 49.9869 17.5659 175.4157 1029 F 4.6509 7.8806 124.2560 59.7351 40.7094 177.1409 1030 N 4.3176 8.1399 114.4142 53.7295 37.9839 176.1413 1031 S 5.0259 7.7153 109.8684 56.5234 64.2383 173.2824 1032 S 4.7580 8.3289 116.7250 56.8949 67.0146 175.1306 1033 W 4.7196 8.0092 123.2336 58.5008 29.8423 175.6432 1034 M 4.4299 8.6001 118.1044 56.2882 33.9109 174.4734 1035 N 5.6553 9.1113 124.2863 51.9041 41.4261 174.5229 1036 W 4.6121 8.8087 121.8253 55.0931 31.9465 174.8100 1037 V 4.6341 8.3443 125.6230 61.4402 32.9135 174.8774 1038 K 4.5913 8.9627 128.3502 54.8031 33.9153 173.9639 1039 Q 4.8752 8.3503 128.7178 54.5818 31.0937 174.5461 1040 R 5.0768 8.4705 121.7882 53.7637 33.0650 172.3887 1041 P 4.2623 0.0000 0.0000 64.6938 31.3660 175.7862 1042 G 4.0853 9.2190 110.6252 45.2473 0.0000 173.7078 1043 Q 4.4695 7.8635 119.1358 60.0000 28.7622 178.8513 1044 G 3.3270 7.4586 101.4733 44.1861 0.0000 174.4965 1045 L 4.5255 8.1714 116.5317 53.3736 47.2717 174.5157 1046 E 5.1732 8.6175 121.7306 54.2497 32.7358 174.9960 1047 W 4.8208 9.3556 134.9480 57.8593 31.3524 175.5299 1048 I 4.2692 8.4270 128.8041 62.1660 37.9352 176.2378 1049 G 2.7543 6.1029 106.9661 46.6666 0.0000 171.1699 1050 R 5.5987 7.1001 113.0276 56.7057 32.6474 173.7050 1051 I 5.2204 8.4344 119.4148 59.8259 42.4202 173.2860 1052 Y 4.5980 8.4948 128.7177 55.0464 38.2960 174.6631 1052A P 3.9782 0.0000 0.0000 65.0411 31.7559 177.9529 1053 G 3.6808 7.1867 104.9496 47.2986 0.0000 173.3291 1054 D 4.4867 8.2845 114.9774 53.7126 43.4256 175.8105 1055 G 3.9356 8.2353 104.5858 45.0143 0.0000 173.5579 1056 D 4.8657 9.5518 122.4029 54.4704 41.9568 175.6301 1057 S 5.4848 8.6968 115.3425 57.2468 66.4565 172.8165 1058 N 5.3776 9.5683 118.4333 51.9490 42.3005 173.1046 1059 Y 4.8231 8.7751 118.5864 56.1070 41.7545 174.1587 1060 N 4.7839 8.5446 119.1345 52.2782 40.8277 176.2237 1061 G 3.6411 8.7895 113.4189 48.6563 0.0000 175.9186 1062 K 3.8446 7.9696 120.4395 58.3264 32.0248 177.3297 1063 F 5.1527 7.4811 115.6563 57.1858 39.1910 176.9922 1064 E 3.8001 8.1123 123.9671 58.8569 29.6862 178.0032 1065 G 4.0916 7.4786 106.2536 42.6026 0.0000 170.3603 1066 K 4.6121 7.3707 125.8715 57.3947 40.3500 175.0123 1067 A 4.5374 7.8332 122.2065 51.5177 20.7319 177.0339 1068 I 4.5531 7.8626 119.8246 59.6427 40.3008 173.7825 1069 L 4.4783 9.3335 128.0178 54.7178 42.2471 176.7312 1070 T 4.8673 8.9562 117.7158 60.4198 71.0521 172.3135 1071 A 5.3861 8.7062 127.6073 50.5033 23.1091 175.1548 1072 D 4.7990 9.5575 119.2831 52.2604 42.8188 176.6572 1073 K 4.4750 9.3487 126.2439 58.6624 32.3867 178.9839 1074 S 4.3553 8.3680 112.8198 60.2145 63.2561 174.6985 1075 S 4.5257 7.7776 114.7693 59.0826 63.1340 175.0976 1076 S 2.0000 7.9419 111.0331 59.6649 59.5080 170.3510 1077 T 4.7089 6.6138 118.5197 61.9676 73.3361 172.6447 1078 A 5.4492 9.1913 126.6924 50.6907 23.0421 174.7614 1079 Y 5.7662 9.3559 115.8074 56.1672 42.8202 174.3371 1080 M 4.2649 7.9872 121.9701 53.3314 35.4525 174.4964 1081 Q 5.3078 7.1597 121.1642 53.1163 28.0664 174.3196 1082 L 4.2414 7.7134 121.2184 55.1826 42.2665 177.1870 1082A S 4.4151 8.7565 118.1577 57.7525 64.3611 174.0542 1082B S 3.5448 8.6303 116.1016 59.1522 59.3560 171.4198 1082C L 4.6361 8.1308 123.0140 53.6545 42.9730 175.8742 1083 T 4.8240 7.9800 108.7935 60.3657 71.3821 174.6608 1084 S 4.3381 8.5541 115.7262 60.1776 62.2436 175.6710 1085 V 3.8472 8.1990 122.3161 65.9927 31.5642 177.7983 1086 D 4.5756 8.1520 119.0845 56.8681 40.7592 174.2528 1087 S 5.2463 7.3153 115.3795 58.7032 63.1945 173.4595 1088 A 4.4472 8.2469 125.4563 51.6206 22.1814 174.6154 1089 V 4.5560 8.1389 117.0012 62.2032 34.1088 175.4231 1090 Y 4.7776 8.1888 120.9595 56.5926 41.5188 174.7030 1091 F 4.6171 9.2759 124.0424 56.7764 39.9492 172.8097 1092 C 4.8045 8.1665 114.9831 53.1074 42.6115 171.1385 1093 A 4.4416 7.5748 127.8046 51.9525 19.8170 176.4659 1094 R 4.6258 8.7527 120.0976 54.9721 31.5729 175.7711 1095 S 4.6605 8.8775 117.8596 56.7839 64.6552 172.7044 1096 G 4.2072 8.2443 111.2790 44.1973 0.0000 169.7680 1097 L 3.4587 9.4819 128.3868 54.7268 38.1292 171.9021 1098 L 3.9268 8.2259 121.2393 53.6707 39.8146 174.4241 1099 R 3.7897 8.2782 120.6968 58.6230 29.2955 177.5924 1100 Y 3.9143 6.7952 114.4155 55.3509 38.5225 175.0983 1100A A 4.3719 7.1961 121.9758 52.2841 22.4325 176.5256 1100B M 4.4320 8.4270 124.0855 54.0955 32.8175 175.8604 1101 D 4.4659 8.3389 123.7025 54.3094 40.8118 176.1697 1102 Y 5.2353 7.9621 120.9146 55.4521 41.2877 174.5003 1103 W 4.9056 9.4109 126.0426 54.7975 31.9188 178.1138 1104 G 3.9286 7.8883 110.1083 46.4532 0.0000 172.5375 1105 Q 4.5004 8.8124 116.3415 56.7232 30.2010 174.8369 1106 G 3.4341 7.4837 102.5688 44.1973 0.0000 174.4554 1107 T 4.5696 7.4371 115.3519 61.3435 70.3923 170.9892 1108 S 3.9531 8.2462 118.4007 57.9912 63.6589 172.9600 1109 V 4.5575 8.6379 130.5247 61.6828 29.7632 174.2632 1110 T 4.5651 7.7875 118.7788 61.3388 69.4202 173.1797 1111 V 4.6778 7.9401 127.5548 61.0064 33.6601 176.0962 1112 S 4.4590 8.3913 126.7155 58.9968 64.2771 175.3883 1113 S 4.4097 8.4829 115.5067 58.6667 62.2911 169.6347 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 0 K 8.31 4.30 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 1 D 8.21 4.69 0.00 2.77 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 2 I 8.42 4.38 1.90 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 1.28 0.62 0.91 0.00 0.00 3 Q 8.68 4.43 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 4 M 8.70 4.47 0.00 1.89 2.19 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 2.64 2.50 0.00 5 T 8.55 4.53 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 1.26 0.00 0.00 6 Q 8.49 4.86 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 7 T 8.39 3.90 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 1.23 0.00 0.00 8 T 7.73 4.18 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 9 S 8.54 4.40 0.00 4.03 4.16 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 10 S 7.29 4.87 0.00 3.85 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 11 L 8.27 4.60 0.00 1.71 1.67 0.89 0.85 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 12 S 8.35 5.12 0.00 3.95 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 13 A 8.27 4.35 1.15 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 14 S 8.35 4.28 0.00 3.84 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 15 L 8.31 4.10 0.00 1.52 1.59 0.92 0.93 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 16 G 8.60 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 17 D 7.57 4.65 0.00 2.62 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 18 R 8.24 4.63 0.00 1.73 1.78 0.00 3.16 0.00 0.00 3.07 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 19 V 8.03 3.84 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 0.69 0.00 0.00 0.82 0.00 0.00 20 T 8.12 4.74 4.13 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 1.15 0.00 0.00 21 V 8.53 4.36 1.59 0.00 0.00 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 0.52 0.00 0.00 22 S 8.78 5.21 0.00 3.96 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 23 C 8.99 4.87 0.00 2.96 3.19 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 24 R 8.16 5.10 0.00 1.94 1.87 0.00 3.22 0.00 0.00 3.29 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.35 0.00 25 A 8.90 4.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.57 4.66 0.00 3.97 4.14 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 27 Q 8.29 4.86 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 28 D 7.88 4.44 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.20 4.11 1.73 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.93 0.00 0.00 30 R 9.06 3.70 0.00 2.26 2.22 0.00 2.81 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 31 N 8.50 5.01 0.00 2.43 1.80 0.00 0.00 6.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.40 4.13 0.00 2.78 2.39 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 33 L 7.10 4.66 0.00 0.82 0.69 0.37 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.83 5.44 0.00 2.49 2.87 0.00 0.00 6.73 7.28 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 35 W 9.14 5.16 0.00 3.20 3.19 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 36 Y 9.36 5.26 0.00 2.89 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 37 Q 8.73 4.18 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 38 Q 8.79 4.63 0.00 1.86 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 39 K 8.48 4.07 0.00 1.65 1.78 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 40 P 0.00 4.39 0.00 2.06 2.13 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 41 D 8.11 4.58 0.00 2.93 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 42 G 8.03 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 43 T 7.80 4.55 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 1.23 0.00 0.00 44 V 7.97 4.42 1.14 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 -1.24 0.00 0.00 -0.22 0.00 0.00 45 K 8.65 4.65 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.33 7.81 46 F 8.93 5.02 0.00 3.38 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 47 L 8.53 4.34 0.00 1.87 1.59 1.21 0.39 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 48 I 7.26 5.01 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 1.36 0.75 0.90 0.00 0.00 49 Y 8.26 5.23 0.00 3.41 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 10.07 3.28 0.00 3.16 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 51 T 8.89 3.85 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 52 S 7.53 4.66 0.00 3.89 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 53 R 7.47 3.96 0.00 0.67 1.41 0.00 3.12 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 63 S 7.83 5.30 0.00 3.91 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 64 G 8.33 4.60 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 65 S 8.76 4.62 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.56 4.71 0.00 3.77 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 68 G 8.47 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 0.00 0.00 0.00 69 T 8.57 4.81 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 70 D 7.59 4.83 0.00 2.47 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 71 Y 8.58 5.28 0.00 3.07 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 72 S 8.48 5.25 0.00 3.84 3.99 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 73 L 7.52 4.01 0.00 0.27 0.30 0.66 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.99 4.59 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 1.05 0.00 0.00 75 I 8.54 3.70 1.47 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.20 0.37 0.00 0.00 76 N 8.56 4.07 0.00 2.55 2.70 0.00 0.00 7.14 7.72 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 77 N 8.68 3.92 0.00 2.88 3.11 0.00 0.00 5.99 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 78 L 8.99 3.97 0.00 1.61 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.87 4.89 0.00 2.27 1.79 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 2.24 2.25 0.00 80 Q 8.69 3.82 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.19 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 81 E 8.03 4.39 0.00 2.15 2.05 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 2.28 2.38 0.00 82 D 8.13 5.08 0.00 2.80 2.87 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 83 I 7.32 3.83 1.92 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 1.55 0.77 1.01 0.00 0.00 84 G 6.96 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 85 T 8.10 4.91 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 1.15 0.00 0.00 86 Y 8.94 5.17 0.00 3.09 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 87 F 9.83 5.30 0.00 3.20 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0.00 0.00 2.19 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.42 7.81 1020 I 8.03 4.34 1.85 0.00 0.00 0.63 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 0.43 1.17 0.00 0.00 1021 S 8.62 5.09 0.00 3.59 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 C 9.32 4.67 0.00 2.80 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 1023 K 8.91 4.64 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.24 7.81 1024 D 8.25 4.71 0.00 2.82 2.37 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 1025 S 8.29 4.44 0.00 3.89 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 1026 G 7.70 3.99 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 0.00 0.00 0.00 1027 Y 8.41 4.74 0.00 3.04 2.95 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 1082B S 8.63 3.54 0.00 3.97 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 1082C L 8.13 4.64 0.00 1.80 1.58 0.87 0.52 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 1083 T 7.98 4.82 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 1.23 0.00 0.00 1084 S 8.55 4.34 0.00 4.02 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 1085 V 8.20 3.85 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 1.03 0.00 0.00 0.97 0.00 0.00 1086 D 8.15 4.58 0.00 2.95 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 1087 S 7.32 5.25 0.00 3.98 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 1088 A 8.25 4.45 1.15 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 1089 V 8.14 4.56 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 0.47 0.00 0.00 0.91 0.00 0.00 1090 Y 8.19 4.78 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 1091 F 9.28 4.62 0.00 2.98 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 1092 C 8.17 4.80 0.00 1.23 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 1093 A 7.57 4.44 -0.37 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 0.00 0.00 1094 R 8.75 4.63 0.00 1.92 2.06 0.00 2.94 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 1095 S 8.88 4.66 0.00 3.99 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 1096 G 8.24 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 0.00 0.00 0.00 0.00 1097 L 9.48 3.46 0.00 1.74 1.66 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1098 L 8.23 3.93 0.00 1.39 1.38 0.41 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 1099 R 8.28 3.79 0.00 1.96 2.04 0.00 3.10 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 1100 Y 6.80 3.91 0.00 1.98 2.47 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 1100A A 7.20 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1100B M 8.43 4.43 0.00 1.68 2.13 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 1101 D 8.34 4.47 0.00 2.79 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 1102 Y 7.96 5.24 0.00 3.05 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 1103 W 9.41 4.91 0.00 3.27 3.18 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 1104 G 7.89 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 0.00 0.00 0.00 1105 Q 8.81 4.50 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 1106 G 7.48 3.43 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 0.00 0.00 0.00 1107 T 7.44 4.57 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1108 S 8.25 3.95 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 V 8.64 4.56 2.17 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 0.78 0.00 0.00 0.85 0.00 0.00 1110 T 7.79 4.57 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 1.22 0.00 0.00 1111 V 7.94 4.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 1112 S 8.39 4.46 0.00 3.87 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 1113 S 8.48 4.41 0.00 3.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.