NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5791 8.1933 115.5785 58.3258 63.8416 172.2752 3 V 4.9293 8.5550 119.9846 59.4347 35.2344 173.7047 4 T 4.6248 10.4373 121.8866 62.0693 72.5052 172.7839 5 Q 5.0157 8.7371 125.6395 53.2348 29.6792 174.3336 6 P 4.0905 0.0000 0.0000 64.6229 31.4860 176.4751 7 D 4.8831 7.3759 118.4973 52.1887 42.7731 175.8478 8 A 4.2561 8.7937 126.4954 54.5445 19.4385 177.2118 9 R 5.1442 7.8736 111.6175 54.5297 34.0958 175.4239 10 V 4.5370 8.9669 121.5391 61.6505 35.3816 173.8647 11 T 5.2265 8.5835 123.0909 61.9528 71.5315 173.6829 12 V 4.5783 8.8762 118.3263 59.5066 36.6309 174.8466 13 S 4.6732 8.5396 119.4517 57.7668 63.9527 173.4644 14 E 3.9660 8.8891 125.1998 58.2264 29.7581 176.0002 15 G 3.9617 9.3117 113.2548 45.3346 0.0000 173.6385 16 A 4.3423 7.9383 121.3728 51.3310 20.0562 177.0803 17 S 4.8998 8.2915 114.6519 57.5449 64.2577 173.9874 18 L 4.7614 8.8664 123.9811 53.3544 45.4432 175.1358 19 Q 4.8052 8.4551 125.3493 54.5337 32.0687 173.5500 20 L 4.7077 8.3448 126.7107 52.9889 43.9634 176.4150 21 R 4.5103 8.6541 123.0294 56.2251 31.5981 176.8046 22 C 5.1985 9.1344 121.0792 55.6953 45.5091 172.5552 23 K 5.4209 9.5355 126.3748 54.7439 34.7334 174.7554 24 Y 5.3455 8.8499 121.6248 55.1682 41.4781 174.5842 25 S 4.6185 8.8658 116.6501 57.3020 65.0953 173.2137 26 Y 4.6521 8.4912 123.9433 56.7184 41.5164 174.0960 27 S 4.0852 8.6181 124.0041 61.6369 63.1146 174.7664 28 A 4.1886 6.6220 120.2597 51.3613 19.1481 176.3810 29 T 3.7688 8.3915 115.3050 63.4525 68.5079 172.5266 30 P 4.0310 0.0000 0.0000 62.3092 32.2805 175.3989 31 Y 4.2404 7.8537 120.3350 56.0205 39.8634 174.1149 32 L 4.8435 7.4423 123.1285 53.3080 44.0140 175.8320 33 F 5.6454 9.7235 120.0423 56.0013 44.5440 173.5155 34 W 5.6434 9.4164 119.1587 55.5259 32.6810 174.3058 35 Y 5.4232 10.2344 123.0478 56.1268 41.2316 174.9803 36 V 4.3497 8.8442 122.0735 59.7785 34.8427 174.4994 37 Q 4.6826 8.6893 124.4949 54.4646 31.0803 173.7101 38 Y 4.6315 8.3669 124.6158 56.6311 39.6790 173.3934 39 P 4.1100 0.0000 0.0000 63.8375 31.8643 176.0714 40 R 3.8909 8.7811 120.9231 57.1606 27.6122 175.5923 41 Q 4.5693 7.7231 113.8532 54.2234 33.0634 174.8103 42 G 4.0152 8.2853 106.8478 44.6611 0.0000 171.7366 43 P 4.8316 0.0000 0.0000 62.5127 32.0927 176.2984 44 Q 4.9023 9.2703 122.9854 53.6748 31.9563 174.8533 45 L 3.4015 8.6671 125.7893 55.4458 42.3064 175.4429 46 L 4.5869 9.0793 128.8395 56.0601 43.6284 175.7198 47 L 4.6290 7.5766 116.4865 55.0640 43.5375 172.9060 48 K 5.1150 8.4112 117.5813 55.7550 36.2076 174.7469 49 Y 4.3180 8.2646 121.7246 56.6172 41.3825 173.8632 50 Y 4.3920 7.8781 122.8885 58.5912 39.9575 175.9834 51 S 4.2911 6.6252 109.9824 58.6949 66.4862 175.3764 52 G 3.8909 8.6033 107.1413 45.1555 0.0000 173.8423 53 D 4.3919 8.9906 124.8002 54.2694 41.1990 175.1073 54 P 4.4138 0.0000 0.0000 64.5314 32.4532 175.5945 55 V 4.7148 7.9973 121.0511 61.5008 32.8939 175.0851 56 V 4.5804 8.7174 121.7333 59.9378 34.1944 175.0944 57 Q 4.8779 8.7262 122.1065 54.5127 31.2076 175.1160 58 G 4.4588 8.8647 108.8834 43.4080 0.0000 172.2867 59 V 3.9824 8.4931 118.6204 63.0924 32.2642 175.2733 60 N 4.4569 9.5711 117.0082 54.5806 36.0553 174.3842 61 G 3.8865 8.1453 99.8912 46.8437 0.0000 173.7904 62 F 4.9718 7.7129 116.5482 55.6306 42.1004 175.3297 63 E 5.1605 8.9243 117.8649 55.5403 33.2564 173.6874 64 A 5.2546 8.6475 121.4002 49.5611 23.6977 174.5381 65 E 5.1173 8.3392 119.0389 54.3777 32.9241 174.1991 66 F 5.1737 9.5918 130.5542 57.7715 40.4962 174.9974 67 S 3.9589 8.3748 120.4352 55.9324 63.7514 174.0839 68 K 3.8078 8.1011 127.8418 58.6008 32.0492 178.0459 69 S 4.1243 7.7788 111.5858 61.6532 62.7857 174.9485 70 N 4.3252 8.2121 119.3797 53.1355 39.1328 174.7458 71 S 3.2454 8.1484 113.8681 60.2648 61.0452 171.1586 72 S 5.3818 7.5836 112.1106 56.3965 66.9610 173.8921 73 F 6.3000 8.6453 120.3571 58.3642 39.1522 173.7877 74 H 4.8976 8.2019 118.9842 56.0618 30.5717 176.0534 75 L 4.5049 8.6227 124.4895 53.8505 44.2535 175.0596 76 R 5.0608 8.8487 123.0034 54.9914 34.2952 173.5456 77 K 4.6285 8.7152 125.1614 54.5276 35.0842 177.1166 78 A 3.9026 8.5719 130.0786 54.8140 18.6732 176.5164 79 S 4.7829 7.3495 110.1756 57.1359 64.4888 174.3771 80 V 4.0836 8.6893 121.7702 61.3914 33.2424 175.1310 81 H 5.1742 9.3340 119.6069 53.7825 32.9988 174.9552 82 R 3.9746 8.7173 117.8621 59.8190 29.9751 179.6626 83 S 4.1920 8.2846 112.3746 61.8582 62.8097 175.2516 84 D 4.9282 8.0680 117.8083 55.6177 40.8539 176.7007 85 S 4.6633 8.5745 116.1198 58.6836 63.2472 173.4288 86 A 4.3256 7.9997 125.6357 52.0443 23.4307 173.6068 87 V 4.5760 7.3474 116.0996 61.6393 33.8708 175.0096 88 Y 4.9682 9.1481 126.2406 56.4599 39.9907 174.5549 89 F 5.2993 10.0161 124.3241 55.9042 42.0753 173.7827 90 C 4.2160 8.6475 122.9133 54.9750 43.8980 171.9931 91 A 5.1307 8.8303 126.3109 50.4068 22.8654 175.2240 92 V 4.7183 8.0672 120.0138 59.4358 34.9057 174.8847 93 S 4.2626 9.2442 119.3249 58.1174 62.7487 171.7677 *99 D 4.9044 8.7834 128.6336 52.8967 41.4994 174.8163 100 P 4.4405 0.0000 0.0000 61.9477 31.4147 174.5316 101 P 4.6459 0.0000 0.0000 62.0984 31.8069 173.8549 102 P 4.6584 0.0000 0.0000 62.9125 31.4820 176.0251 103 L 4.3498 7.8364 118.7554 54.5031 42.5645 175.7976 104 L 4.5579 8.1336 122.5332 53.5416 44.8076 175.4171 105 T 4.5231 8.3709 123.0125 62.0130 70.2895 174.2838 106 F 4.5572 8.8722 125.3359 56.6787 40.4932 175.7825 107 G 4.2574 8.7297 109.1845 45.1192 0.0000 174.6588 108 S 4.2213 8.8549 113.2741 58.9297 63.3524 175.5300 109 G 3.6620 8.2174 105.6625 45.8964 0.0000 172.9670 110 T 4.7818 7.8595 114.6639 61.5856 72.9673 173.0451 111 K 4.7115 9.3012 128.6666 55.4164 34.0558 175.1624 112 V 4.8532 9.1700 128.1304 61.2631 33.9623 174.1381 113 I 4.9083 8.9513 129.3088 59.4959 39.6929 174.6827 114 V 5.4166 8.4593 127.3628 59.1691 33.2726 176.0416 115 L 4.3101 8.4570 123.0190 54.9569 41.3385 176.6729 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 S 8.19 4.58 0.00 4.01 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 3 V 8.56 4.93 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 0.78 0.00 0.00 1.00 0.00 0.00 4 T 10.44 4.62 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 1.26 0.00 0.00 5 Q 8.74 5.02 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 6 P 0.00 4.09 0.00 2.20 2.24 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 7 D 7.38 4.88 0.00 2.53 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.26 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 9 R 7.87 5.14 0.00 1.66 1.80 0.00 3.18 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 8.97 4.54 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 1.00 0.00 0.00 0.93 0.00 0.00 11 T 8.58 5.23 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 1.25 0.00 0.00 12 V 8.88 4.58 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 0.84 0.00 0.00 0.95 0.00 0.00 13 S 8.54 4.67 0.00 3.76 3.77 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 14 E 8.89 3.97 0.00 1.93 1.89 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 2.33 2.52 0.00 15 G 9.31 3.96 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 0.00 0.00 0.00 16 A 7.94 4.34 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 17 S 8.29 4.90 0.00 3.70 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 18 L 8.87 4.76 0.00 1.55 1.29 0.81 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.46 4.81 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 20 L 8.34 4.71 0.00 1.20 1.62 0.55 0.72 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 21 R 8.65 4.51 0.00 1.70 1.79 0.00 3.11 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 22 C 9.13 5.20 0.00 3.21 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.54 5.42 0.00 1.71 1.67 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.54 7.81 24 Y 8.85 5.35 0.00 2.99 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 25 S 8.87 4.62 0.00 3.89 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 26 Y 8.49 4.65 0.00 3.02 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 27 S 8.62 4.09 0.00 3.66 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 28 A 6.62 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.39 3.77 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 0.56 0.00 0.00 30 P 0.00 4.03 0.00 1.50 1.70 0.00 3.53 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.01 0.00 31 Y 7.85 4.24 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 32 L 7.44 4.84 0.00 0.27 0.78 0.32 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.72 5.65 0.00 3.02 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 34 W 9.42 5.64 0.00 3.30 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 35 Y 10.23 5.42 0.00 3.21 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 36 V 8.84 4.35 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 0.75 0.00 0.00 -0.38 0.00 0.00 37 Q 8.69 4.68 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 38 Y 8.37 4.63 0.00 2.98 2.83 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 39 P 0.00 4.11 0.00 2.10 2.05 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 40 R 8.78 3.89 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.72 4.57 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 G 8.29 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 0.00 0.00 0.00 0.00 43 P 0.00 4.83 0.00 1.77 1.93 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.83 0.00 44 Q 9.27 4.90 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 45 L 8.67 3.40 0.00 1.39 1.50 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.08 4.59 0.00 1.89 1.60 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.58 4.63 0.00 1.86 1.77 1.14 0.25 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 48 K 8.41 5.12 0.00 1.07 1.79 0.00 1.19 0.00 0.00 1.62 0.00 0.00 2.52 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.08 0.71 7.81 49 Y 8.26 4.32 0.00 3.19 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 50 Y 7.88 4.39 0.00 2.72 2.69 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 51 S 6.63 4.29 0.00 3.90 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 52 G 8.60 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 53 D 8.99 4.39 0.00 2.71 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 54 P 0.00 4.41 0.00 2.27 2.37 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 55 V 8.00 4.71 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 0.81 0.00 0.00 0.95 0.00 0.00 56 V 8.72 4.58 2.20 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 1.04 0.00 0.00 1.23 0.00 0.00 57 Q 8.73 4.88 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 8.86 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 0.00 0.00 0.00 0.00 59 V 8.49 3.98 2.20 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 1.07 0.00 0.00 0.99 0.00 0.00 60 N 9.57 4.46 0.00 3.23 3.09 0.00 0.00 6.91 7.65 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 61 G 8.15 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 62 F 7.71 4.97 0.00 3.17 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 63 E 8.92 5.16 0.00 2.10 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 2.20 2.19 0.00 64 A 8.65 5.25 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 5.12 0.00 2.00 1.74 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 2.24 2.27 0.00 66 F 9.59 5.17 0.00 2.47 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 67 S 8.37 3.96 0.00 3.74 3.52 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 0.00 0.00 0.00 0.00 68 K 8.10 3.81 0.00 1.82 1.75 0.00 1.84 0.00 0.00 2.52 0.00 0.00 3.16 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.46 1.47 7.81 69 S 7.78 4.12 0.00 3.96 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 70 N 8.21 4.33 0.00 2.62 2.78 0.00 0.00 7.41 7.17 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 71 S 8.15 3.25 0.00 3.79 3.46 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 72 S 7.58 5.38 0.00 3.68 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 73 F 8.65 6.30 0.00 3.09 3.21 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 74 H 8.20 4.90 0.00 3.16 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.62 4.50 0.00 0.27 0.39 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.85 5.06 0.00 1.72 1.57 0.00 3.01 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 77 K 8.72 4.63 0.00 0.85 1.17 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.92 1.00 7.81 78 A 8.57 3.90 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 79 S 7.35 4.78 0.00 3.74 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 80 V 8.69 4.08 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 0.52 0.00 0.00 0.93 0.00 0.00 81 H 9.33 5.17 0.00 3.02 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.72 3.97 0.00 1.85 2.02 0.00 3.17 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 83 S 8.28 4.19 0.00 3.93 3.96 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 84 D 8.07 4.93 0.00 2.93 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 85 S 8.57 4.66 0.00 4.08 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 86 A 8.00 4.33 0.92 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 87 V 7.35 4.58 1.95 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 0.27 0.00 0.00 0.88 0.00 0.00 88 Y 9.15 4.97 0.00 3.01 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 89 F 10.02 5.30 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 90 C 8.65 4.22 0.00 1.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 5.13 0.75 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 0.00 0.00 92 V 8.07 4.72 1.91 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 0.56 0.00 0.00 0.40 0.00 0.00 93 S 9.24 4.26 0.00 4.33 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 *99 D 8.78 4.90 0.00 2.69 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.44 0.00 2.30 2.26 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 101 P 0.00 4.65 0.00 2.02 1.91 0.00 3.77 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 102 P 0.00 4.66 0.00 2.12 2.07 0.00 3.74 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 1.92 1.94 0.00 103 L 7.84 4.35 0.00 1.72 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.13 4.56 0.00 1.38 1.15 0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.37 4.52 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 0.00 106 F 8.87 4.56 0.00 2.77 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 0.00 107 G 8.73 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 0.00 0.00 0.00 0.00 108 S 8.85 4.22 0.00 4.07 4.08 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 0.00 109 G 8.22 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 0.00 0.00 0.00 110 T 7.86 4.78 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 1.31 0.00 0.00 111 K 9.30 4.71 0.00 1.79 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 112 V 9.17 4.85 2.32 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 0.92 0.00 0.00 0.92 0.00 0.00 113 I 8.95 4.91 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.94 0.00 0.00 114 V 8.46 5.42 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 0.83 0.00 0.00 1.01 0.00 0.00 115 L 8.46 4.31 0.00 1.56 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.