NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3165 8.3344 115.2817 58.0777 64.2378 174.2787 4 I 3.4851 7.6424 119.3858 59.3248 38.0611 173.9588 5 S 4.3955 9.2334 123.5361 57.7616 65.0766 173.3736 6 E 4.0150 8.9897 121.6894 59.9080 29.4544 179.6447 7 K 3.8301 7.4393 115.8925 58.0825 32.8419 177.8674 *9 V 4.0098 7.8913 118.0653 62.8511 33.2120 177.2608 10 E 4.0377 8.3675 118.1573 59.4102 29.1594 178.9865 11 A 4.0046 8.0166 121.5649 54.9264 18.4532 179.6455 12 L 3.9739 7.8839 117.0263 58.1006 41.9198 179.2626 13 N 4.5455 8.6124 116.7726 56.3943 38.4257 177.7735 14 R 3.9778 8.2867 119.5935 59.2591 30.1479 178.7175 15 Q 4.0139 8.3174 119.4491 59.1119 28.9264 178.3367 16 I 3.7714 8.3251 121.3359 64.4592 37.2395 177.5514 17 N 4.3472 8.2657 117.4765 57.0319 38.6833 176.6006 18 A 4.2576 8.1616 121.8098 55.3350 18.4175 179.4831 19 E 4.0897 8.5386 117.3177 59.4471 29.4909 179.6001 20 I 3.7874 8.1523 120.1669 64.3254 37.0375 177.5746 21 Y 4.1764 8.6421 120.8111 61.0094 38.5231 178.1751 22 S 3.7296 8.4023 115.8617 61.6491 62.8979 176.4984 23 A 4.1855 7.8946 122.9454 55.8362 18.1134 179.1859 24 Y 4.3224 8.3348 117.8472 60.5512 38.5657 177.9731 25 L 3.6596 7.6757 121.0419 58.2776 42.2334 178.2134 26 Y 4.5746 7.4043 115.5879 61.1012 37.9889 178.1551 27 L 3.9977 8.3459 121.6693 57.8009 41.5428 179.7784 28 S 4.2609 8.1198 111.7379 58.5879 62.2791 175.5794 *30 A 4.5435 8.0297 124.9057 51.8219 20.5160 179.9117 31 S 4.1384 8.0229 109.7690 61.4394 61.8552 175.5562 32 Y 4.2010 8.0468 122.2379 61.0414 38.5680 178.3957 33 F 3.9300 8.0613 118.0252 60.2376 39.1091 176.8280 34 D 4.3988 8.6796 118.5347 57.6323 40.8021 178.7361 35 S 4.2515 8.1783 113.4740 60.3609 62.7741 174.9100 36 I 4.1626 7.0730 113.9774 60.3740 37.4169 176.0380 37 G 3.8928 8.3168 107.7709 46.2090 0.0000 174.9188 38 L 4.7025 7.6826 121.7794 52.7662 41.0554 177.2086 39 K 4.2403 8.1807 122.5074 58.4933 32.3340 178.8727 40 G 3.5538 8.5878 106.6499 47.6730 0.0000 175.8317 41 F 3.6273 8.4600 118.8423 60.0426 38.9013 176.9144 42 S 4.4575 8.0767 111.5516 61.7941 62.3552 175.6020 43 N 4.5534 8.3850 119.3861 56.2352 38.5884 177.0318 44 W 4.3088 8.2940 127.9022 58.3286 31.0409 177.5481 *46 R 4.4033 7.9827 118.2257 55.8565 31.8243 178.1792 47 V 3.5406 8.1013 117.2277 66.0439 31.4703 177.9698 48 Q 3.6495 7.9352 119.3832 58.4645 28.6722 178.1046 49 W 4.3239 8.2107 129.2472 60.6678 30.7003 177.8546 50 Q 3.4432 7.8483 116.7032 58.6539 28.1522 178.0810 51 E 3.9707 8.0097 119.5896 59.3920 29.8954 178.5405 52 E 4.0740 8.2177 118.5184 58.8637 29.2098 179.6435 53 L 4.0708 7.2294 116.1188 55.5252 41.6056 177.8831 *55 H 4.8983 8.1220 117.1362 56.1799 30.4328 175.4885 56 A 4.0949 8.1887 117.0742 53.4796 17.9139 177.5199 *58 K 4.1158 7.9332 117.9980 57.5272 33.7935 177.4229 *60 F 4.6750 8.0827 120.4402 57.8802 41.0661 176.7107 61 D 4.5469 8.2930 119.7986 57.2408 40.6769 178.3594 62 F 3.8041 8.1569 120.9676 60.8213 39.2874 177.5669 63 V 3.3437 7.6067 117.5765 65.9230 31.4807 177.8097 64 S 4.2175 7.6167 113.7141 60.3161 61.9486 175.7110 65 E 3.8353 7.8301 121.6458 59.0642 29.4859 178.3386 66 R 3.9605 7.0225 114.2642 55.7763 30.4197 176.2788 67 G 3.6221 7.6554 106.3261 46.9771 0.0000 173.5359 68 G 3.9538 7.8108 106.8951 43.1563 0.0000 172.5848 69 R 4.4695 8.0052 119.1211 53.8220 30.9250 175.6566 70 V 4.0326 7.9394 125.5672 62.1489 31.9135 174.7827 71 K 4.2758 8.3139 128.3514 54.6016 33.5001 175.0482 72 L 4.4505 8.0789 125.7105 53.5288 42.8983 175.7543 73 Y 4.6843 8.2457 120.5984 55.5856 40.1602 175.0896 74 A 3.9571 8.4741 123.7384 52.9262 18.8369 177.2861 75 V 4.3628 8.1021 120.7899 60.8441 32.8831 175.6946 76 E 4.1566 8.7424 127.0252 55.7357 30.0172 176.1945 77 E 4.0462 8.9846 123.0021 56.3337 29.7619 175.2383 78 P 4.9803 0.0000 0.0000 60.5328 32.5462 173.8628 79 P 4.4348 0.0000 0.0000 62.8643 31.7282 176.1541 80 S 4.6340 7.7192 109.1568 56.1696 64.3844 173.5006 81 E 4.5382 6.8804 119.0555 54.3468 32.9372 174.7640 82 W 4.8994 7.3551 118.7056 54.8425 33.1788 176.2364 83 D 4.4634 8.8728 121.0655 57.4296 40.6566 177.0992 84 S 4.7933 7.6429 113.2739 56.5039 67.0988 174.7522 85 P 4.6287 0.0000 0.0000 66.0535 30.9236 178.5397 86 L 4.0264 8.0587 117.9943 58.2850 42.1025 178.7252 87 A 4.2380 8.0588 119.9812 55.0016 18.2942 179.3746 88 A 3.1430 8.3739 119.6306 55.3786 18.5020 180.0261 89 F 3.7986 8.6422 116.0653 60.2213 38.9326 177.8885 90 E 4.1804 8.6897 118.9928 59.5972 29.1109 178.7904 91 H 4.3508 8.3420 118.5095 59.1592 29.8824 177.3760 92 V 3.7843 7.8328 120.1824 66.2571 31.2207 177.3045 93 Y 4.1931 8.3295 119.0061 60.8378 38.7237 177.4092 94 E 3.8704 8.3858 119.5468 60.0401 29.6076 179.1810 95 H 4.2111 8.6772 118.0185 59.4783 29.8898 177.1962 96 E 4.0314 8.7094 120.7586 59.2312 29.2482 179.4374 97 V 3.6264 7.8656 118.7633 65.9134 31.5749 177.8609 98 N 4.2956 8.2644 116.3370 56.3939 38.4080 177.5883 99 V 3.6494 7.9913 119.8460 66.0766 31.5452 178.2609 100 T 3.8752 8.2837 116.0420 66.4604 68.4422 176.3443 101 K 3.8887 7.9646 120.4620 59.8873 32.0638 179.4275 102 R 4.1063 7.9063 117.5950 59.3690 29.9520 179.1700 103 I 3.6415 7.7535 119.5744 64.8463 37.1149 178.2944 104 H 4.2367 8.4011 116.6828 58.4349 28.2039 177.8220 105 E 4.0356 7.7939 119.7516 59.3151 29.4559 178.7989 106 L 4.1440 7.9368 118.2725 57.5371 41.6757 179.4681 107 V 3.8585 7.9605 117.9404 65.8858 31.6140 179.6005 108 E 4.2039 7.9018 116.2942 56.2359 29.6989 176.8051 *110 A 4.2188 7.8250 117.5859 51.7957 20.3772 179.1490 *112 Q 4.2208 8.1624 117.7520 57.4029 30.3943 176.3195 113 E 4.2986 8.2541 113.4954 55.6435 29.3729 176.5303 114 K 3.6990 7.6826 116.3882 57.0007 29.8620 175.9104 115 D 4.4510 8.2462 120.4460 53.4506 39.9353 175.0574 116 F 4.6994 8.0809 124.2635 59.6156 39.3776 176.8728 117 A 4.1894 8.2332 120.2074 55.7905 18.3363 179.6541 118 T 3.9481 8.2126 114.1410 66.7837 68.2636 176.2591 119 Y 4.0877 8.1416 120.6838 61.0240 39.0882 177.7139 120 N 4.4791 8.9301 117.7718 56.3189 38.0866 177.2521 121 F 4.1639 8.4307 122.1676 61.0380 39.4443 176.8759 122 L 3.9901 7.9360 117.6531 56.5817 41.4859 179.0828 123 Q 3.8758 7.5163 118.7592 58.2392 28.4525 178.2541 124 W 3.9364 7.7436 128.8747 60.6775 30.6720 177.6833 125 Y 3.9525 8.0203 116.2579 60.7395 37.2090 178.1235 126 V 3.4954 7.9018 119.1378 66.0256 31.1183 178.0378 127 A 3.8578 7.8172 120.4518 55.0072 18.1372 179.2614 128 E 3.4952 7.7540 117.9542 59.1964 29.5305 179.0869 129 Q 4.0011 8.1302 118.3637 58.5630 28.8755 178.4438 130 V 3.5907 7.4451 119.5310 66.0341 31.4448 177.8049 131 E 3.9043 7.7720 117.7163 59.1963 29.4931 178.2622 132 E 4.0386 8.1712 118.7459 59.7141 29.6234 179.4060 133 E 4.1218 8.3986 117.8662 59.4578 29.6341 179.1301 134 A 4.0627 7.9406 120.3998 55.4114 18.3011 179.7623 135 S 4.1341 8.3736 113.3128 61.8230 62.9294 176.9263 136 A 4.2314 8.4163 123.3808 55.1528 18.1396 179.3560 137 L 3.5380 8.5742 119.2976 58.2277 42.1293 178.6672 138 D 4.2330 8.1384 117.8838 57.5301 41.1158 178.3922 139 I 3.4820 7.3887 120.3406 63.8968 36.9147 178.3862 140 V 3.5545 7.7472 119.3979 66.2766 31.4198 178.0424 141 E 3.9724 8.2948 118.2339 59.2085 29.3899 179.4129 142 K 4.0441 8.0481 118.3962 58.9411 32.0513 179.3078 143 L 4.1047 8.0651 119.7168 57.2727 41.4035 179.2764 144 R 3.9351 7.7047 117.4427 59.2542 30.1068 178.7414 145 L 4.1071 7.5036 116.7942 57.9287 41.9920 179.0794 146 I 3.8137 7.6209 119.6492 62.2016 37.2241 178.2226 147 G 3.8228 8.4098 106.1801 47.1442 0.0000 175.3533 148 E 4.2890 8.9382 124.3503 56.2588 29.9569 175.8482 149 D 4.4372 8.1482 120.5575 54.2695 42.1476 176.4681 150 K 4.1379 8.6219 126.7452 58.7544 32.6829 179.2702 151 R 4.0347 8.0126 115.7728 59.0141 29.3933 178.5554 152 A 4.1120 8.5152 121.6661 54.4776 18.3223 179.3886 153 L 3.9595 7.7483 119.3097 58.4916 42.2176 179.2509 154 L 4.0253 8.0503 118.8903 57.4969 41.4725 179.4184 155 F 3.8519 8.3753 120.8705 61.2320 39.4457 176.8708 156 L 3.9606 8.4453 120.3430 58.1330 41.7996 178.4390 157 D 4.2366 8.4151 118.2062 57.2206 41.0228 177.9402 158 K 3.7408 7.7875 118.8162 59.6268 32.4857 177.8226 159 E 3.8841 7.7144 119.2495 59.2148 29.6275 178.5836 160 L 4.1508 7.7777 118.2493 56.8303 41.5098 179.0249 161 S 4.1449 7.6610 114.9638 61.8152 62.8345 176.2777 162 L 4.1348 7.5431 119.1897 55.4618 41.8355 177.4745 163 R 4.0502 7.3035 119.5930 56.1014 30.6933 176.1887 164 Q 4.2267 8.4733 122.5174 56.0965 29.2352 175.3699 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 3 S 8.33 4.32 0.00 3.81 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 0.00 4 I 7.64 3.49 1.81 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 1.45 1.18 0.85 0.00 0.00 5 S 9.23 4.40 0.00 4.01 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 6 E 8.99 4.01 0.00 2.08 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 2.40 2.38 0.00 7 K 7.44 3.83 0.00 1.78 1.91 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 *9 V 7.89 4.01 2.25 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 1.02 0.00 0.00 0.90 0.00 0.00 10 E 8.37 4.04 0.00 2.35 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 2.31 2.40 0.00 11 A 8.02 4.00 1.43 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 12 L 7.88 3.97 0.00 1.88 1.81 1.07 0.78 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 13 N 8.61 4.55 0.00 3.01 3.18 0.00 0.00 7.07 7.42 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 14 R 8.29 3.98 0.00 2.01 1.92 0.00 3.00 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 15 Q 8.32 4.01 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 16 I 8.33 3.77 2.19 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 1.56 0.70 1.07 0.00 0.00 17 N 8.27 4.35 0.00 3.08 3.09 0.00 0.00 7.17 7.97 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 18 A 8.16 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.54 4.09 0.00 2.25 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 2.64 2.64 0.00 20 I 8.15 3.79 1.96 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 1.41 0.84 0.94 0.00 0.00 21 Y 8.64 4.18 0.00 3.10 3.22 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 22 S 8.40 3.73 0.00 4.10 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 23 A 7.89 4.19 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.32 0.00 3.14 2.92 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 0.00 25 L 7.68 3.66 0.00 0.82 1.17 0.94 0.56 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 26 Y 7.40 4.57 0.00 3.23 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 27 L 8.35 4.00 0.00 1.15 1.51 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.12 4.26 0.00 3.69 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 *30 A 8.03 4.54 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.02 4.14 0.00 3.86 4.12 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 32 Y 8.05 4.20 0.00 3.30 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 3.93 0.00 3.22 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 34 D 8.68 4.40 0.00 2.89 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 35 S 8.18 4.25 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 36 I 7.07 4.16 1.72 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 0.85 0.63 0.65 0.00 0.00 37 G 8.32 3.89 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 0.00 0.00 0.00 38 L 7.68 4.70 0.00 1.77 1.70 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.18 4.24 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.59 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.46 3.63 0.00 2.55 1.45 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 0.00 42 S 8.08 4.46 0.00 4.18 4.07 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 0.00 0.00 0.00 43 N 8.39 4.55 0.00 2.89 2.99 0.00 0.00 6.91 7.57 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 44 W 8.29 4.31 0.00 3.36 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 *46 R 7.98 4.40 0.00 2.13 2.13 0.00 3.25 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 47 V 8.10 3.54 1.97 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 0.86 0.00 0.00 0.94 0.00 0.00 48 Q 7.94 3.65 0.00 1.20 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 1.35 2.20 0.00 49 W 8.21 4.32 0.00 3.78 3.07 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 0.00 0.00 0.00 50 Q 7.85 3.44 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 51 E 8.01 3.97 0.00 1.89 1.97 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 2.09 2.32 0.00 52 E 8.22 4.07 0.00 2.11 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 0.00 2.67 2.84 0.00 53 L 7.23 4.07 0.00 1.37 1.41 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.12 4.90 0.00 3.52 3.79 0.00 5.73 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 56 A 8.19 4.09 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 *58 K 7.93 4.12 0.00 1.72 1.98 0.00 0.69 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.58 1.32 7.81 *60 F 8.08 4.68 0.00 3.23 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 61 D 8.29 4.55 0.00 2.85 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 62 F 8.16 3.80 0.00 2.71 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 63 V 7.61 3.34 1.92 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 0.82 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 141 E 8.29 3.97 0.00 2.18 1.92 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 2.27 2.26 0.00 142 K 8.05 4.04 0.00 1.81 1.78 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.57 7.81 143 L 8.07 4.10 0.00 1.82 1.72 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.70 3.94 0.00 1.88 1.99 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 145 L 7.50 4.11 0.00 1.77 1.70 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.62 3.81 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.94 0.00 0.00 147 G 8.41 3.82 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 0.00 0.00 0.00 148 E 8.94 4.29 0.00 1.97 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 2.27 2.23 0.00 149 D 8.15 4.44 0.00 2.71 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 0.00 150 K 8.62 4.14 0.00 1.89 1.84 0.00 1.61 0.00 0.00 2.09 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.55 7.81 151 R 8.01 4.03 0.00 2.12 2.21 0.00 2.98 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 152 A 8.52 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.75 3.96 0.00 1.74 1.84 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.05 4.03 0.00 1.94 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.38 3.85 0.00 3.35 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 0.00 156 L 8.45 3.96 0.00 1.85 1.93 0.74 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.42 4.24 0.00 3.17 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 0.00 158 K 7.79 3.74 0.00 1.62 1.49 0.00 1.72 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.35 7.81 159 E 7.71 3.88 0.00 1.96 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 2.22 2.28 0.00 160 L 7.78 4.15 0.00 1.50 1.58 -0.56 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.66 4.14 0.00 3.99 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 0.00 162 L 7.54 4.13 0.00 1.84 1.69 0.87 0.77 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 0.00 163 R 7.30 4.05 0.00 1.89 1.79 0.00 2.82 0.00 0.00 2.70 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 164 Q 8.47 4.23 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.