NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3807 0.0000 0.0000 62.3717 32.8087 175.0470 2 Q 4.3561 8.4980 122.0531 53.3445 30.6984 169.6625 3 V 4.2831 8.0416 124.5069 61.0205 34.1520 174.7972 4 T 4.3380 8.4733 117.5930 61.5859 69.7089 173.9338 5 L 4.7189 7.8273 118.6090 54.3557 42.2278 178.3663 6 W 4.2451 8.2909 121.1973 58.6922 29.3041 176.1807 7 Q 4.8071 7.7669 115.0769 53.1946 31.5308 175.2352 8 R 3.9617 8.4681 119.3914 56.2199 30.5253 176.2148 9 P 4.6192 0.0000 0.0000 62.1323 30.7466 174.3748 10 L 5.2380 8.1135 126.6583 53.9318 44.0533 175.7690 11 V 4.6268 8.6280 114.3984 59.7916 36.2726 174.9433 12 T 4.7678 8.4907 119.2282 63.3063 69.4350 174.2383 13 I 4.9316 8.9112 118.5209 59.0536 41.6792 174.0065 14 K 5.0196 9.1914 124.4163 54.7114 35.0785 174.6791 15 I 4.6090 8.5250 127.1514 59.6798 41.5999 175.2371 16 G 4.1110 9.8179 117.8449 46.6994 0.0000 174.2700 17 G 3.9673 8.3902 105.4745 45.1085 0.0000 173.7008 18 Q 4.7010 7.8479 118.6016 53.9454 31.3941 174.1383 19 L 5.2452 8.1941 120.1370 53.3921 43.8471 175.8231 20 K 4.7371 8.9403 120.8803 55.2239 37.3975 174.5965 21 E 5.2608 8.7275 119.9668 54.7853 32.0500 175.4947 22 A 4.8838 8.9395 124.0748 50.1894 23.6756 174.3138 23 L 4.7934 8.7338 121.6647 53.7958 43.9791 175.6325 24 L 4.5468 8.4175 126.9052 54.4369 42.3709 176.0630 25 D 4.8252 9.0718 124.5905 52.4454 43.1351 176.3651 26 T 4.0267 8.7840 116.9174 63.5701 69.1780 175.7346 27 G 3.6717 8.1541 110.1559 46.4597 0.0000 173.1151 28 A 4.6957 7.5344 123.3076 50.2196 20.8094 177.6397 29 D 4.5026 8.9039 122.7030 56.6808 41.8939 175.8067 30 D 5.4587 7.8515 116.0371 51.5723 46.0098 174.5368 31 T 4.9653 8.3893 116.2515 62.2902 70.8379 174.5207 32 V 4.9948 8.6851 125.0551 60.0912 34.7068 174.3283 33 L 5.1812 9.1217 124.9554 52.3444 45.2071 176.1739 34 E 4.7769 8.9023 121.6407 55.6681 30.5038 176.8496 35 E 4.0423 8.5574 121.4451 56.7014 29.9118 176.4651 36 M 4.6539 8.0404 119.4835 54.2475 34.1722 173.8612 37 S 4.5211 8.3614 115.4262 57.5306 63.5652 174.1081 38 L 4.6977 8.0721 124.7528 51.9892 45.0007 174.6526 39 P 4.4866 0.0000 0.0000 62.8686 32.4300 176.1784 40 G 4.0801 8.9547 105.0521 45.5662 0.0000 171.9136 41 R 5.0107 7.5649 117.1960 55.4473 32.8461 175.0040 42 W 4.5437 7.2462 112.6145 56.5513 30.3371 173.7730 43 K 4.8855 8.8894 120.5819 54.0717 34.8729 173.6153 44 P 5.2796 0.0000 0.0000 62.2329 33.0085 174.8747 45 K 4.8127 9.0720 120.9032 55.2133 37.4315 174.4821 46 M 5.2956 8.5343 119.9757 53.9258 35.0807 174.1696 47 I 4.6968 9.0160 118.9711 59.0269 41.2025 174.4294 48 G 4.4606 8.7725 110.0179 44.6749 0.0000 173.1745 49 G 4.1292 8.9967 113.1328 44.3182 0.0000 171.9521 50 I 3.9546 8.2766 123.2853 62.5749 38.0543 174.7077 51 G 4.3096 8.3649 116.2826 46.6031 0.0000 172.4080 52 G 3.7164 6.1262 109.9816 44.2353 0.0000 172.2494 53 F 5.5219 7.3744 120.6347 55.3250 40.3377 175.6697 54 I 4.8008 9.1137 113.1913 59.1363 41.3469 173.6897 55 K 4.9344 8.6457 124.4843 55.3196 33.4157 175.6857 56 V 4.6461 8.7978 119.5276 59.7247 36.7705 174.2481 57 R 4.7556 8.3518 120.5116 54.3616 32.3891 175.5694 58 Q 4.6177 9.3935 126.2841 56.1068 30.4015 174.1139 59 Y 5.1270 9.4686 123.9633 56.4144 41.2012 174.4995 60 D 5.2337 8.7823 121.3575 52.1275 44.6242 175.3057 61 Q 3.3378 8.4034 115.9840 57.0930 26.6916 174.2800 62 I 4.3624 7.7021 117.5558 60.0831 39.4064 176.0433 63 L 5.0012 8.4348 128.6778 54.3641 43.1399 175.6802 64 I 4.8611 9.0713 126.3728 59.4291 41.7201 173.7732 65 E 5.0945 9.1175 126.3522 54.2913 32.3317 176.1862 66 I 4.7707 8.9250 126.9547 61.4944 38.9713 176.6118 *68 G 3.9606 8.1582 106.9760 45.1726 0.0000 172.5126 69 H 4.8861 8.1404 116.8565 53.5182 31.0718 173.1783 70 K 5.1506 8.5097 122.9077 55.2052 34.1562 175.4775 71 A 4.8392 9.0518 123.8540 50.8678 23.2504 175.0598 72 I 5.4334 7.4586 119.3144 58.8450 40.6320 175.5813 73 G 4.1710 8.0560 111.5719 46.0120 0.0000 172.0564 74 T 4.9439 8.6148 110.1373 61.5638 70.0815 174.4841 75 V 4.5273 9.3639 123.6944 61.2741 35.3725 173.8062 76 L 5.2380 9.1010 127.7370 53.1133 44.1944 175.5152 77 V 4.7788 8.7081 123.1144 60.7261 34.6989 174.8442 78 G 4.3079 8.5052 114.3678 44.7348 0.0000 171.5414 79 P 5.0007 0.0000 0.0000 62.4136 29.7038 176.3188 80 T 4.3153 7.2571 112.6351 61.2482 68.7720 172.5561 81 P 4.4851 0.0000 0.0000 64.4206 32.0100 176.7132 82 V 4.4956 7.2619 111.7552 59.4359 35.5419 174.5075 83 N 4.8233 8.6077 120.7707 53.0782 40.1282 173.9628 84 I 4.8775 8.9928 124.3729 59.5486 40.7288 174.4685 85 I 4.4739 8.9992 128.6974 60.0919 38.8907 175.4406 86 G 4.6997 8.1503 118.1998 43.0811 0.0000 173.4308 87 R 4.0006 8.9251 117.7187 58.9199 30.2982 178.8409 88 N 4.2905 8.3611 115.8011 55.4501 37.4455 176.6038 89 L 4.3100 7.7640 117.3526 55.9486 42.4139 178.6265 90 L 4.0216 7.9005 119.3694 57.9705 41.1434 179.3059 91 T 3.8947 8.1605 115.9017 66.8038 68.1257 176.3965 92 Q 4.1387 7.9788 119.0438 58.1226 29.0372 176.7724 93 I 4.0673 7.7850 108.8410 60.3346 37.9085 175.7623 94 G 3.8072 7.6528 107.0364 46.6078 0.0000 174.0644 95 A 4.1624 7.9730 122.6531 51.7874 18.9189 178.1676 96 T 4.7360 8.2249 111.1439 59.6632 71.8111 173.1323 97 L 4.7774 8.3444 122.2883 53.1940 43.6176 175.9406 98 N 5.1578 8.6404 119.5940 51.4986 42.2045 174.4126 99 F 4.4992 8.2765 116.1887 57.2529 37.8985 174.1061 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 1 P 0.00 4.38 0.00 2.09 2.07 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 2 Q 8.50 4.36 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 3 V 8.04 4.28 2.09 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 0.94 0.00 0.00 0.94 0.00 0.00 4 T 8.47 4.34 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 1.34 0.00 0.00 5 L 7.83 4.72 0.00 1.36 1.50 0.83 0.86 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 6 W 8.29 4.25 0.00 3.33 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 7 Q 7.77 4.81 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 8 R 8.47 3.96 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 9 P 0.00 4.62 0.00 2.11 2.21 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 10 L 8.11 5.24 0.00 1.55 1.62 0.92 0.95 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 11 V 8.63 4.63 2.09 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 0.75 0.00 0.00 0.99 0.00 0.00 12 T 8.49 4.77 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 1.27 0.00 0.00 13 I 8.91 4.93 1.87 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 1.21 0.94 0.91 0.00 0.00 14 K 9.19 5.02 0.00 1.76 1.65 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.33 7.81 15 I 8.52 4.61 1.84 0.00 0.00 nan 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 1.27 0.88 0.00 0.00 16 G 9.82 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 0.00 0.00 0.00 17 G 8.39 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 0.00 0.00 0.00 18 Q 7.85 4.70 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 19 L 8.19 5.25 0.00 1.48 1.56 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.94 4.74 0.00 1.64 1.63 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.40 7.81 21 E 8.73 5.26 0.00 1.81 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 2.20 2.27 0.00 22 A 8.94 4.88 1.19 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 0.00 0.00 23 L 8.73 4.79 0.00 1.92 1.52 0.91 0.65 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 24 L 8.42 4.55 0.00 1.69 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.07 4.83 0.00 2.65 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 26 T 8.78 4.03 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 1.20 0.00 0.00 27 G 8.15 3.67 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 0.00 28 A 7.53 4.70 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 29 D 8.90 4.50 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 5.46 0.00 2.55 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 31 T 8.39 4.97 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 1.24 0.00 0.00 32 V 8.69 4.99 2.09 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 0.87 0.00 0.00 0.93 0.00 0.00 33 L 9.12 5.18 0.00 1.71 1.53 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.90 4.78 0.00 1.92 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 2.58 2.26 0.00 35 E 8.56 4.04 0.00 1.93 1.86 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 2.26 2.25 0.00 36 M 8.04 4.65 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 37 S 8.36 4.52 0.00 3.86 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 38 L 8.07 4.70 0.00 0.90 0.84 0.25 0.91 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 39 P 0.00 4.49 0.00 2.21 2.05 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 40 G 8.95 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 0.00 0.00 0.00 41 R 7.56 5.01 0.00 1.66 1.57 0.00 3.32 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.00 42 W 7.25 4.54 0.00 2.61 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 0.00 0.00 0.00 43 K 8.89 4.89 0.00 1.73 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.49 7.81 44 P 0.00 5.28 0.00 2.21 2.45 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 45 K 9.07 4.81 0.00 1.64 1.71 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.64 7.81 46 M 8.53 5.30 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 47 I 9.02 4.70 1.89 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 1.18 0.83 0.93 0.00 0.00 48 G 8.77 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 49 G 9.00 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 0.00 0.00 0.00 0.00 50 I 8.28 3.95 1.86 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 1.34 0.57 0.89 0.00 0.00 51 G 8.36 4.31 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 0.00 52 G 6.13 3.72 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 0.00 0.00 0.00 53 F 7.37 5.52 0.00 3.00 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 54 I 9.11 4.80 1.88 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 1.14 0.90 0.90 0.00 0.00 55 K 8.65 4.93 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.49 7.81 56 V 8.80 4.65 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 0.68 0.00 0.00 0.96 0.00 0.00 57 R 8.35 4.76 0.00 1.15 0.73 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 58 Q 9.39 4.62 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 59 Y 9.47 5.13 0.00 2.93 2.85 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 60 D 8.78 5.23 0.00 2.56 2.59 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 0.00 0.00 0.00 0.00 61 Q 8.40 3.34 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 I 7.70 4.36 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.88 0.00 0.00 63 L 8.43 5.00 0.00 1.64 1.56 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.07 4.86 1.87 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 1.11 0.49 0.91 0.00 0.00 65 E 9.12 5.09 0.00 2.00 1.76 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 2.19 2.26 0.00 66 I 8.92 4.77 1.87 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 1.23 1.14 0.90 0.00 0.00 *68 G 8.16 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 69 H 8.14 4.89 0.00 3.20 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.51 5.15 0.00 1.64 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 71 A 9.05 4.84 1.23 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 72 I 7.46 5.43 1.89 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 1.12 1.14 0.90 0.00 0.00 73 G 8.06 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 74 T 8.61 4.94 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 1.29 0.00 0.00 75 V 9.36 4.53 2.14 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 0.88 0.00 0.00 0.95 0.00 0.00 76 L 9.10 5.24 0.00 1.68 1.55 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.71 4.78 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 0.97 0.00 0.00 0.92 0.00 0.00 78 G 8.51 4.31 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 0.00 79 P 0.00 5.00 0.00 2.17 2.10 0.00 3.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 T 7.26 4.32 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 1.29 0.00 0.00 81 P 0.00 4.49 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 82 V 7.26 4.50 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 0.72 0.00 0.00 0.92 0.00 0.00 83 N 8.61 4.82 0.00 2.75 2.72 0.00 0.00 6.83 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 84 I 8.99 4.88 1.98 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 1.22 1.16 0.91 0.00 0.00 85 I 9.00 4.47 1.87 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 1.29 0.94 0.91 0.00 0.00 86 G 8.15 4.70 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 87 R 8.93 4.00 0.00 1.97 2.00 0.00 3.15 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 88 N 8.36 4.29 0.00 2.89 3.21 0.00 0.00 7.02 6.02 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 89 L 7.76 4.31 0.00 1.70 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.90 4.02 0.00 1.89 1.71 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.16 3.89 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 1.22 0.00 0.00 92 Q 7.98 4.14 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 93 I 7.78 4.07 1.72 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 1.47 0.51 0.89 0.00 0.00 94 G 7.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.16 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 96 T 8.22 4.74 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 1.22 0.00 0.00 97 L 8.34 4.78 0.00 1.72 1.77 0.93 0.95 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 98 N 8.64 5.16 0.00 2.69 2.67 0.00 0.00 6.82 7.48 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 99 F 8.28 4.50 0.00 3.15 2.90 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 * Residues marked with a * may have inaccurate shift predictions.