NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3762 0.0000 0.0000 62.0893 33.4642 177.0407 3 L 3.9551 7.8698 116.4556 53.9210 42.1041 173.6981 4 G 4.1698 8.6070 103.9871 43.6449 0.0000 173.1231 5 S 4.2480 8.4667 115.5777 58.3677 63.9749 173.7613 6 Q 4.9194 7.8979 121.5847 54.1358 32.1724 174.9265 7 F 4.8343 8.6116 120.3033 55.5894 43.6747 173.9335 8 W 4.9295 9.0232 123.4894 56.8765 29.7787 175.9589 9 V 5.0114 9.5706 116.9432 60.1680 36.5893 174.3521 10 T 5.3744 8.8547 118.3888 61.6827 71.4531 174.4105 11 V 4.1171 9.2313 127.1798 62.0173 32.2233 175.7596 12 Q 4.6522 8.3080 121.9970 53.9139 31.2630 175.5376 13 R 3.9409 8.3823 122.0283 56.5308 30.6201 176.3627 14 T 4.6139 7.8777 114.5322 58.7465 73.3628 174.3208 15 E 3.7877 8.4594 120.8076 59.5272 29.6683 178.6875 16 A 3.8120 7.5587 119.9416 54.9009 18.4129 179.2503 17 A 3.9837 7.3718 119.2731 55.2662 18.4233 179.7668 18 E 3.9079 8.2135 117.1227 59.6117 29.3540 179.4818 19 R 3.9668 8.0110 117.6789 59.2290 30.1732 177.3314 20 C 4.6164 7.9896 113.6311 58.7479 28.4921 173.7442 21 G 3.9864 7.9336 108.5051 46.4971 0.0000 173.7536 22 L 4.5968 7.9154 120.0554 53.8584 42.3806 176.5085 23 H 4.9500 9.7041 120.4984 55.7018 33.8855 175.3269 24 G 3.8993 8.9829 109.9788 45.8106 0.0000 172.0330 25 S 5.4615 8.1805 117.6608 57.5184 65.4292 173.2085 26 Y 5.0933 9.3045 119.2857 56.9354 43.2463 173.7879 27 V 4.2362 8.5868 121.0560 61.4874 33.4495 174.1555 28 L 4.9200 8.8469 130.5722 53.4045 44.0852 174.6711 29 R 4.9513 9.0011 127.2086 54.5765 32.8120 174.8036 30 V 4.3990 9.0292 127.3018 62.0288 32.3080 174.9902 31 E 4.5993 8.7477 128.5670 54.5107 31.7147 177.2874 32 A 4.0569 8.7501 122.9670 55.1740 18.5334 178.0162 33 E 5.0009 7.6563 107.6870 55.6854 31.6808 175.5681 34 R 3.9148 7.0326 115.4577 55.2824 32.8262 173.5196 35 L 4.9922 8.1212 119.8173 53.9455 43.9693 176.0350 36 T 5.0193 8.7015 118.0880 61.7279 72.7606 172.4661 37 L 5.1493 9.0199 128.0328 53.5608 44.1986 175.1344 38 L 5.3716 9.0688 125.5263 53.2674 45.9807 175.2420 39 T 5.1536 8.7626 115.2830 59.9660 71.5514 173.0747 40 V 4.2713 8.5485 124.6196 62.7593 32.3401 175.8848 41 G 3.9199 9.6534 117.0572 47.1751 0.0000 173.5585 *46 I 4.0507 7.2567 112.6994 59.7588 39.6558 174.1681 47 L 4.6447 8.4175 122.1595 54.8563 41.9763 176.7362 48 E 4.8452 9.5002 123.6578 53.6601 32.6636 173.7698 49 P 4.5088 0.0000 0.0000 63.1998 31.9750 175.3163 50 L 4.6016 8.9366 122.0299 56.0353 43.5647 176.8196 51 L 4.4690 7.3242 116.5290 53.0936 46.2188 175.2677 52 S 4.7744 7.7135 116.1860 56.4755 67.2842 173.6769 53 W 4.6455 9.0075 122.9619 54.0424 31.9379 173.5048 54 P 4.4926 0.0000 0.0000 62.4245 31.7146 177.1849 55 Y 4.3869 8.1235 121.0111 61.6372 37.9596 179.1124 56 T 4.1027 8.0216 107.7464 63.5807 69.1442 174.6091 57 L 4.6471 8.2557 121.8266 54.3653 42.3573 175.8039 58 L 4.9279 7.6566 119.8234 54.3261 42.5962 177.2087 59 R 4.3721 9.1755 123.1539 59.0280 30.7388 176.7552 60 R 4.6546 7.8856 112.5019 56.1167 32.1063 172.8952 61 Y 5.2650 7.3535 116.7173 56.3789 41.9245 173.4129 62 G 4.2255 8.8390 106.7247 46.8316 0.0000 172.2869 63 R 5.1097 8.1357 114.6058 55.4911 32.2521 174.0266 64 D 4.6741 8.4324 117.2759 52.4773 41.6833 175.9009 65 K 4.3742 8.7238 117.2095 58.4361 32.3646 177.4415 66 V 4.7191 8.6974 111.7663 60.9986 34.2417 174.7541 67 M 5.4264 8.0743 116.1257 54.2274 35.2367 173.3203 68 F 5.4540 9.5785 121.3520 56.6665 43.0789 173.4228 69 S 5.1164 8.1018 119.3258 56.7640 66.2715 172.4505 70 F 5.4302 8.7219 119.7186 55.3440 42.0410 172.5524 71 E 5.2090 9.4084 120.5298 54.4657 32.2759 174.4596 72 A 4.9994 9.4898 129.5560 51.0377 20.9522 177.3491 73 G 4.3554 9.1895 109.9703 45.4668 0.0000 174.9750 74 R 4.1776 8.6664 118.1006 59.0565 30.0866 178.4758 75 R 4.2415 7.9208 114.3617 57.1443 30.7385 176.5733 76 C 4.3785 7.8908 117.2268 58.8517 28.7461 172.9034 77 P 4.2575 0.0000 0.0000 65.7573 30.9734 178.0037 78 S 4.1676 7.8186 110.9066 59.0119 63.2614 175.0821 79 G 4.0873 8.2804 108.4300 44.2898 0.0000 171.2511 80 P 4.8407 0.0000 0.0000 62.4251 32.4090 175.3300 81 G 3.8410 7.8862 105.0400 43.9834 0.0000 172.1790 82 T 4.7250 7.7161 116.4436 62.1008 69.9568 174.7778 83 F 4.2692 8.6456 124.8320 55.6689 41.9070 174.4435 84 T 4.9160 7.7363 119.2753 61.6383 72.5106 172.9087 85 F 5.3092 9.3189 123.5456 55.7523 43.4994 174.2034 86 Q 4.7732 9.6297 123.0558 56.3142 29.7463 175.1256 87 T 4.5647 8.4546 115.0060 61.7766 70.8780 172.7075 88 A 4.6745 9.0541 129.1159 52.9280 19.3477 178.2080 89 Q 4.7839 8.4494 116.0266 55.7048 29.5668 177.7813 90 G 3.7639 8.1256 109.9604 48.2260 0.0000 175.6548 91 N 4.5408 8.1583 118.9864 56.3164 39.0158 176.6164 92 D 4.3894 8.0201 120.0100 57.3222 40.9373 178.5742 93 I 2.9173 7.3380 120.2870 63.9157 36.9175 178.1179 94 F 4.2481 8.4876 121.8111 61.6652 39.2111 177.1628 95 Q 4.0750 8.7284 117.7181 58.8974 28.5148 178.6521 96 A 3.9546 7.9505 121.8162 55.1183 18.3357 179.9572 97 V 3.1025 7.7330 116.8365 65.9430 31.5734 177.9751 98 E 3.8923 7.9770 120.0326 59.1062 29.2944 179.6232 99 T 3.8199 8.1466 115.7209 66.5297 68.5039 176.6929 100 A 3.9528 7.8744 122.6608 55.2106 18.1661 179.8056 101 I 3.4922 7.3961 117.7193 64.5598 37.1469 177.8534 102 H 4.2661 7.9294 118.4300 59.2445 29.7462 177.2988 103 R 4.0320 7.9296 119.0976 59.0799 30.0004 177.2474 104 Q 4.3110 7.9797 121.2390 56.5157 29.0346 176.7918 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 2 P 0.00 4.38 0.00 2.03 2.16 0.00 3.60 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 1.90 2.09 0.00 3 L 7.87 3.96 0.00 1.65 1.66 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.61 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.47 4.25 0.00 3.86 3.53 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 6 Q 7.90 4.92 0.00 1.58 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 7 F 8.61 4.83 0.00 2.80 2.84 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 8 W 9.02 4.93 0.00 3.30 3.17 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 0.00 0.00 0.00 0.00 9 V 9.57 5.01 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 0.82 0.00 0.00 1.04 0.00 0.00 10 T 8.85 5.37 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 1.38 0.00 0.00 11 V 9.23 4.12 2.41 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 0.95 0.00 0.00 0.69 0.00 0.00 12 Q 8.31 4.65 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 13 R 8.38 3.94 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 14 T 7.88 4.61 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 0.97 0.00 0.00 15 E 8.46 3.79 0.00 1.97 1.87 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 2.31 2.33 0.00 16 A 7.56 3.81 0.67 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 17 A 7.37 3.98 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 18 E 8.21 3.91 0.00 2.12 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 2.41 2.44 0.00 19 R 8.01 3.97 0.00 1.79 2.14 0.00 3.28 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 20 C 7.99 4.62 0.00 3.32 3.10 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 0.00 21 G 7.93 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 22 L 7.92 4.60 0.00 1.69 1.66 1.22 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.70 4.95 0.00 3.18 3.25 0.00 5.89 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 24 G 8.98 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 25 S 8.18 5.46 0.00 3.72 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 26 Y 9.30 5.09 0.00 3.03 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 27 V 8.59 4.24 1.69 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 0.69 0.00 0.00 -0.73 0.00 0.00 28 L 8.85 4.92 0.00 1.48 1.39 0.80 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.00 4.95 0.00 1.77 1.67 0.00 3.26 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 30 V 9.03 4.40 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 0.91 0.00 0.00 0.91 0.00 0.00 31 E 8.75 4.60 0.00 2.03 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 2.43 2.19 0.00 32 A 8.75 4.06 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 33 E 7.66 5.00 0.00 2.20 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 0.00 2.05 2.30 0.00 34 R 7.03 3.91 0.00 1.63 1.71 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 35 L 8.12 4.99 0.00 1.61 1.54 0.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.70 5.02 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 1.18 0.00 0.00 37 L 9.02 5.15 0.00 2.11 1.56 0.91 0.23 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 38 L 9.07 5.37 0.00 1.55 1.48 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.76 5.15 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 1.34 0.00 0.00 40 V 8.55 4.27 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 0.91 0.00 0.00 1.19 0.00 0.00 41 G 9.65 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 0.00 0.00 0.00 *46 I 7.26 4.05 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.93 0.00 0.00 47 L 8.42 4.64 0.00 1.52 1.61 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.50 4.85 0.00 1.86 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 2.21 2.23 0.00 49 P 0.00 4.51 0.00 2.00 1.99 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 50 L 8.94 4.60 0.00 1.57 1.68 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.32 4.47 0.00 0.80 0.13 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.71 4.77 0.00 3.43 3.49 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 53 W 9.01 4.65 0.00 2.95 2.84 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 54 P 0.00 4.49 0.00 2.16 1.90 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 2.07 2.02 0.00 55 Y 8.12 4.39 0.00 3.04 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 56 T 8.02 4.10 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 57 L 8.26 4.65 0.00 1.88 1.79 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.66 4.93 0.00 1.94 1.78 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.18 4.37 0.00 1.74 2.04 0.00 3.34 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 60 R 7.89 4.65 0.00 1.78 1.97 0.00 3.09 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 61 Y 7.35 5.27 0.00 3.15 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 62 G 8.84 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 0.00 0.00 0.00 0.00 63 R 8.14 5.11 0.00 2.26 2.19 0.00 3.06 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 64 D 8.43 4.67 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 4.37 0.00 1.78 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 66 V 8.70 4.72 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 0.76 0.00 0.00 1.01 0.00 0.00 67 M 8.07 5.43 0.00 2.41 2.25 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 2.76 2.54 0.00 68 F 9.58 5.45 0.00 3.18 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 69 S 8.10 5.12 0.00 3.75 3.44 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 0.00 70 F 8.72 5.43 0.00 3.22 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 71 E 9.41 5.21 0.00 2.04 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 2.25 2.28 0.00 72 A 9.49 5.00 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 0.00 0.00 0.00 0.00 0.00 73 G 9.19 4.36 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 0.00 74 R 8.67 4.18 0.00 1.86 2.05 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 75 R 7.92 4.24 0.00 1.84 2.00 0.00 3.24 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 76 C 7.89 4.38 0.00 3.27 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 77 P 0.00 4.26 0.00 1.81 2.01 0.00 3.57 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 1.80 1.97 0.00 78 S 7.82 4.17 0.00 4.48 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 79 G 8.28 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 0.00 0.00 0.00 80 P 0.00 4.84 0.00 2.25 2.22 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 81 G 7.89 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 0.00 0.00 0.00 82 T 7.72 4.72 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 1.00 0.00 0.00 83 F 8.65 4.27 0.00 1.51 2.30 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 84 T 7.74 4.92 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 1.14 0.00 0.00 85 F 9.32 5.31 0.00 3.08 3.08 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 0.00 0.00 0.00 86 Q 9.63 4.77 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 87 T 8.45 4.56 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 1.42 0.00 0.00 88 A 9.05 4.67 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 89 Q 8.45 4.78 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 90 G 8.13 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.16 4.54 0.00 2.86 2.86 0.00 0.00 7.19 8.49 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 92 D 8.02 4.39 0.00 2.88 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 93 I 7.34 2.92 1.13 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.58 0.00 0.00 94 F 8.49 4.25 0.00 3.52 3.36 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 95 Q 8.73 4.07 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.88 2.63 0.00 96 A 7.95 3.95 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 97 V 7.73 3.10 1.63 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 -0.09 0.00 0.00 0.69 0.00 0.00 98 E 7.98 3.89 0.00 1.97 1.90 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 1.85 1.76 0.00 99 T 8.15 3.82 4.37 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 1.19 0.00 0.00 100 A 7.87 3.95 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 0.00 101 I 7.40 3.49 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.87 0.00 0.00 102 H 7.93 4.27 0.00 3.21 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.93 4.03 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 104 Q 7.98 4.31 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 * Residues marked with a * may have inaccurate shift predictions.