NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0513 8.2548 109.1140 45.7402 0.0000 175.3454 17 I 3.6192 7.2184 120.0008 63.2097 37.3213 175.6284 18 T 3.8746 7.8337 116.8229 62.3185 69.8112 174.2773 19 G 3.6890 7.3120 113.1378 45.3288 0.0000 170.2320 20 T 4.6840 7.4240 116.5164 61.5748 69.8858 174.6247 21 W 4.9593 8.9406 126.1655 54.9641 33.3122 174.1817 22 Y 5.5162 9.2488 119.5819 56.4877 41.4985 175.8593 23 N 5.3226 9.1709 121.1135 50.7301 39.2544 175.6415 24 Q 4.1574 8.4422 115.0466 58.2661 28.7795 176.6404 25 L 4.4645 8.2184 117.6913 54.4163 41.9053 177.3206 26 G 4.0400 8.3065 107.5012 45.1206 0.0000 174.5177 27 S 4.4316 8.1109 115.6742 59.1191 63.7120 172.9794 28 T 4.8623 8.5408 118.9608 61.7297 71.7537 172.8288 29 F 4.9819 9.1292 129.5311 56.5969 41.6961 173.9645 30 I 4.6564 8.4535 128.9623 59.4606 38.8446 175.4841 31 V 4.7066 8.2391 126.3066 59.9985 35.3275 174.4870 32 T 4.6664 8.6625 118.4994 61.7062 71.9044 172.8077 33 A 4.4093 8.6747 129.1650 50.1950 19.8035 176.9426 34 G 3.8919 9.2132 111.4451 45.1457 0.0000 173.8027 35 A 4.1206 8.4760 122.5635 54.6357 18.4603 178.5830 36 D 4.4090 8.0150 113.5045 54.2304 40.1662 177.2925 37 G 3.3228 8.0499 108.7635 44.5743 0.0000 173.0413 38 A 4.7278 8.2787 122.3281 51.6011 20.1810 176.5011 39 L 5.2956 8.9450 121.5454 53.1953 44.4471 175.9156 40 T 5.0037 9.3631 112.8596 59.4938 72.8037 174.7654 41 G 3.9780 6.8418 108.5664 46.2687 0.0000 171.1390 42 T 5.2913 7.6973 109.4086 59.9062 72.8035 172.8929 43 F 5.2600 9.5507 125.4056 56.2449 42.3373 172.2685 44 E 5.8453 8.5229 126.9965 54.6834 32.6962 177.6731 *48 G 4.1638 8.9664 107.5807 44.5311 0.0000 171.7652 49 N 4.7190 7.6865 117.2504 51.0272 39.4118 175.8177 50 A 3.9707 8.4923 122.1400 55.5610 18.4632 179.9576 51 E 3.6305 7.1228 111.1231 58.7532 29.7033 177.8632 52 S 4.9447 8.1327 114.3723 58.2343 64.2222 173.1281 53 R 5.1723 7.8362 121.2556 55.2282 31.1215 175.2050 54 Y 4.9127 9.1566 122.8395 55.9444 42.5841 174.9267 55 V 4.4263 8.5702 121.8489 62.8981 32.4890 175.1007 56 L 5.4356 8.8071 126.1089 53.4017 44.1514 175.0970 57 T 4.8243 8.2051 113.3632 61.4219 71.3602 173.2700 58 G 4.6875 8.5500 111.3626 46.5717 0.0000 172.1781 59 R 5.6051 8.6962 117.7232 54.9817 34.9068 174.0528 60 Y 5.2964 8.6726 118.5680 55.2294 41.8347 174.6655 61 D 4.3013 9.0671 120.6663 54.1832 40.6423 176.6594 62 S 4.4483 8.1656 120.5299 58.7770 63.7878 174.8910 63 A 4.6513 8.2072 123.8746 50.1142 18.8791 173.7952 64 P 4.7811 0.0000 0.0000 60.7565 32.6580 177.0592 65 A 4.2617 8.3792 121.9363 52.8698 18.7007 177.1949 66 T 4.6756 8.2791 107.9280 61.7901 69.2182 174.6340 67 D 4.7810 8.5878 118.6273 54.0941 39.9319 176.4730 68 G 3.9984 8.4119 107.6926 45.5052 0.0000 174.3023 69 S 4.3496 7.8617 115.6236 57.9156 63.4624 174.2222 70 G 4.0498 8.2860 110.1124 45.9687 0.0000 172.5059 71 T 4.8332 8.9389 116.6319 61.4455 70.3999 174.7646 72 A 4.8379 8.7017 129.1953 52.2873 20.0002 175.8110 73 L 5.0167 8.8636 119.9514 55.6128 44.6451 173.8474 74 G 4.6154 9.2584 104.9295 45.8029 0.0000 172.2310 75 W 5.7594 8.5490 117.3197 55.7010 32.3719 173.3430 76 T 5.2275 9.2597 116.4333 61.7767 72.0657 173.3971 77 V 4.6449 8.6948 124.4131 60.9340 34.3871 173.9967 78 A 4.4812 8.3425 129.7384 49.9022 19.9351 177.6756 79 W 4.2502 8.5311 125.6688 56.5392 28.8142 176.3749 80 K 5.2597 7.9938 118.3925 54.6972 34.8908 174.4780 81 N 4.9599 8.9028 123.0229 52.0735 39.4747 173.7483 82 N 4.3987 8.6383 114.1082 55.2766 38.8050 175.0105 83 Y 4.7015 8.4869 115.3866 58.4221 40.5665 176.0795 84 R 4.7819 7.9267 116.2945 54.7132 34.3404 173.6179 85 N 5.2171 8.5605 118.0642 52.6094 41.0817 173.9019 86 A 4.3471 9.0211 128.3152 51.6789 19.9464 176.0771 87 H 4.2006 8.6802 113.8473 55.9952 26.9195 173.5868 88 S 5.2373 7.4977 111.0511 57.8310 66.8336 174.1941 89 A 4.9393 9.1177 121.3451 50.9469 22.8711 175.2242 90 T 4.8825 8.6024 117.9924 61.7500 71.5853 173.4427 91 T 4.8807 8.4118 115.6714 59.6266 71.7726 172.8623 92 W 4.9032 8.6923 125.0079 54.7893 31.6763 174.6505 93 S 4.9366 8.7177 119.7982 56.7788 64.7752 173.1552 94 G 4.5429 8.5006 112.8872 46.5996 0.0000 171.7312 95 Q 5.3294 8.4020 117.7719 54.8005 32.6663 173.5753 96 Y 4.8224 9.2012 123.2926 56.9209 40.7062 174.1798 97 V 4.1696 8.5732 127.1443 61.1581 33.8288 175.3621 98 G 3.8662 8.1319 116.4236 44.6292 0.0000 169.9439 99 G 3.8974 8.9696 104.7424 43.3413 0.0000 173.6152 100 A 4.0151 8.6065 121.6210 54.3092 18.2586 177.1023 101 E 4.4422 7.8040 114.8747 53.7139 30.2555 174.7282 102 A 4.5025 8.2808 126.5602 52.0088 19.6548 176.3140 103 R 5.2278 9.0019 119.3092 55.0109 34.4987 173.8130 104 I 4.9868 8.9867 125.7676 59.7569 40.0068 174.0810 105 N 5.4678 9.1700 125.5676 51.9262 40.6907 174.4320 106 T 5.3299 9.1396 113.0609 60.1413 73.0565 172.6788 107 Q 5.1842 9.0354 121.1927 53.9458 32.2729 174.7713 108 W 5.4493 8.4921 118.4095 54.7183 32.3853 173.8176 109 L 5.1867 8.7693 120.3693 52.9564 44.8160 175.2276 110 L 4.9256 9.2904 126.8051 53.8277 44.1244 174.8643 111 T 4.9809 8.7526 124.1589 62.1018 70.5916 174.0812 112 S 5.0764 8.7583 123.0853 56.4959 64.8952 174.5713 113 G 3.9018 8.7203 111.7537 46.8433 0.0000 173.0773 114 T 4.7686 8.2721 113.0481 59.4568 72.2700 173.5361 115 T 4.4731 8.1333 112.8257 61.1886 70.0478 175.1815 116 E 3.9538 8.8711 120.7929 59.7012 29.1483 179.5709 117 A 4.1699 8.0667 118.9013 54.4313 18.7799 178.1833 118 N 4.6735 7.7621 112.3673 53.2623 39.0173 176.7785 119 A 4.3561 8.2674 126.0350 54.0307 18.1750 179.9856 120 W 4.2783 8.3222 113.8828 58.5031 28.3743 176.8750 121 K 4.1500 6.7535 117.7981 56.1723 32.1097 177.4986 122 S 4.1547 7.8470 117.1260 61.0708 63.4157 173.5159 123 T 5.0380 7.5701 116.8652 61.6816 71.0291 173.7089 124 L 4.6837 8.9284 127.1946 53.7454 43.7727 176.2255 125 V 4.3509 7.8115 120.2119 60.3553 34.5356 175.1864 126 G 3.2009 6.2284 107.8465 45.7371 0.0000 171.0312 127 H 5.4111 8.1341 114.1866 54.0955 31.7358 172.6863 128 D 5.2199 9.3132 120.2130 52.9698 45.3250 174.4624 129 T 5.2570 8.9534 118.9182 61.8768 71.5466 173.1702 130 F 5.7496 9.6051 125.0173 56.1516 42.2342 174.6744 131 T 5.6200 9.2834 111.6012 60.2189 72.6690 174.4057 132 K 4.2208 8.7470 119.0567 56.6730 32.4960 177.5369 133 V 3.9702 7.4009 123.3137 62.8764 31.4300 175.0225 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 16 G 8.25 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 0.00 0.00 0.00 17 I 7.22 3.62 1.31 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.49 0.00 0.00 18 T 7.83 3.87 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 1.09 0.00 0.00 19 G 7.31 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 0.00 0.00 0.00 20 T 7.42 4.68 4.02 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 0.79 0.00 0.00 21 W 8.94 4.96 0.00 3.11 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 22 Y 9.25 5.52 0.00 3.22 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 23 N 9.17 5.32 0.00 2.44 1.78 0.00 0.00 6.62 7.50 0.00 0.00 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 Q 8.44 4.16 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.22 4.46 0.00 1.85 1.76 0.98 1.02 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 26 G 8.31 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 27 S 8.11 4.43 0.00 4.16 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 28 T 8.54 4.86 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 1.05 0.00 0.00 29 F 9.13 4.98 0.00 2.53 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 30 I 8.45 4.66 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.76 0.00 0.00 31 V 8.24 4.71 0.70 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 0.15 0.00 0.00 0.58 0.00 0.00 32 T 8.66 4.67 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 1.14 0.00 0.00 33 A 8.67 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.21 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 35 A 8.48 4.12 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 36 D 8.02 4.41 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.05 3.32 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 0.00 38 A 8.28 4.73 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.94 5.30 0.00 1.66 1.52 1.13 0.42 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 40 T 9.36 5.00 4.22 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 1.21 0.00 0.00 41 G 6.84 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 42 T 7.70 5.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 F 9.55 5.26 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 5.85 0.00 2.10 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 2.31 2.11 0.00 *48 G 8.97 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 0.00 0.00 0.00 49 N 7.69 4.72 0.00 2.99 2.91 0.00 0.00 6.08 7.46 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 50 A 8.49 3.97 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 51 E 7.12 3.63 0.00 1.71 1.82 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 1.75 1.47 0.00 52 S 8.13 4.94 0.00 3.88 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 53 R 7.84 5.17 0.00 1.86 1.81 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 Y 9.16 4.91 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 55 V 8.57 4.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.81 5.44 0.00 2.04 1.79 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.21 4.82 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 1.26 0.00 0.00 58 G 8.55 4.69 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 0.00 0.00 0.00 59 R 8.70 5.61 0.00 1.76 1.79 0.00 3.29 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.67 5.30 0.00 2.96 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 61 D 9.07 4.30 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.17 4.45 0.00 3.90 3.42 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 63 A 8.21 4.65 1.21 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 64 P 0.00 4.78 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.38 4.26 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 66 T 8.28 4.68 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 1.24 0.00 0.00 67 D 8.59 4.78 0.00 2.78 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 68 G 8.41 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 0.00 0.00 0.00 69 S 7.86 4.35 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 70 G 8.29 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 0.00 0.00 0.00 71 T 8.94 4.83 4.54 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 1.44 0.00 0.00 72 A 8.70 4.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.86 5.02 0.00 2.09 1.96 1.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.26 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.55 5.76 0.00 3.53 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 76 T 9.26 5.23 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 1.22 0.00 0.00 77 V 8.69 4.64 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 -0.38 0.00 0.00 0.82 0.00 0.00 78 A 8.34 4.48 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 79 W 8.53 4.25 0.00 3.39 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 80 K 7.99 5.26 0.00 1.92 1.74 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 8.90 4.96 0.00 2.64 2.44 0.00 0.00 7.05 8.29 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 82 N 8.64 4.40 0.00 1.91 2.39 0.00 0.00 6.56 7.46 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 83 Y 8.49 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.93 4.78 0.00 2.06 1.92 0.00 3.39 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 85 N 8.56 5.22 0.00 2.65 2.60 0.00 0.00 6.93 7.96 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 86 A 9.02 4.35 1.27 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 0.00 0.00 0.00 87 H 8.68 4.20 0.00 3.33 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.50 5.24 0.00 3.99 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 89 A 9.12 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.60 4.88 3.56 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 -0.42 0.00 0.00 91 T 8.41 4.88 4.15 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 1.14 0.00 0.00 92 W 8.69 4.90 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.72 4.94 0.00 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.50 4.54 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 0.00 0.00 0.00 95 Q 8.40 5.33 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.20 4.82 0.00 3.02 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 97 V 8.57 4.17 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 0.86 0.00 0.00 0.93 0.00 0.00 98 G 8.13 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 99 G 8.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.61 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.80 4.44 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 102 A 8.28 4.50 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.00 5.23 0.00 1.97 1.78 0.00 3.12 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 104 I 8.99 4.99 1.74 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.17 1.06 0.00 0.00 105 N 9.17 5.47 0.00 2.73 2.81 0.00 0.00 6.06 6.63 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 0.00 106 T 9.14 5.33 4.46 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 1.47 0.00 0.00 107 Q 9.04 5.18 0.00 1.91 1.89 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 2.25 2.37 0.00 108 W 8.49 5.45 0.00 2.60 2.40 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 0.00 109 L 8.77 5.19 0.00 1.51 1.53 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.29 4.93 0.00 1.62 1.72 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.75 4.98 4.22 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 1.19 0.00 0.00 112 S 8.76 5.08 0.00 3.68 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.27 4.77 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 1.14 0.00 0.00 115 T 8.13 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 E 8.87 3.95 0.00 2.05 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 2.41 2.39 0.00 117 A 8.07 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.76 4.67 0.00 2.68 2.65 0.00 0.00 6.77 7.80 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 0.00 119 A 8.27 4.36 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 0.00 120 W 8.32 4.28 0.00 3.54 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 0.00 121 K 6.75 4.15 0.00 1.17 0.74 0.00 1.16 0.00 0.00 0.82 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.72 7.81 122 S 7.85 4.15 0.00 4.15 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 0.00 123 T 7.57 5.04 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 1.19 0.00 0.00 124 L 8.93 4.68 0.00 1.81 1.75 0.96 0.81 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 0.00 125 V 7.81 4.35 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.67 0.00 0.00 126 G 6.23 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.13 5.41 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.31 5.22 0.00 2.98 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 0.00 0.00 0.00 0.00 129 T 8.95 5.26 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 1.52 0.00 0.00 130 F 9.61 5.75 0.00 2.96 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 0.00 131 T 9.28 5.62 4.41 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 1.46 0.00 0.00 132 K 8.75 4.22 0.00 1.48 1.57 0.00 1.25 0.00 0.00 0.84 0.00 0.00 2.29 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.40 3.97 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 0.71 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.