NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2866 8.2644 123.5854 51.9140 19.9439 175.5974 6 R 4.1256 8.2527 120.0307 54.2712 30.9875 174.5633 7 A 4.1306 9.2973 129.9257 51.2978 19.9260 175.0266 8 P 4.3885 0.0000 0.0000 62.7303 32.0544 176.3403 9 L 4.3620 8.1428 120.7919 53.3547 42.5627 175.1850 10 P 4.5450 0.0000 0.0000 61.5071 32.1683 174.4329 11 P 4.3102 0.0000 0.0000 62.7496 31.7322 176.6734 12 G 3.9192 8.4337 111.1743 44.7056 0.0000 173.0112 13 D 4.8049 9.3875 121.0566 52.1167 42.9063 177.2832 14 A 4.0532 8.6211 129.3766 55.1650 18.5336 178.9929 15 A 3.9383 8.0464 118.9602 55.3750 18.4935 179.9165 16 R 3.9811 8.6698 116.9726 59.2416 30.0393 179.3711 17 G 3.6980 8.2991 105.8361 47.8617 0.0000 175.3472 18 E 2.5690 8.1538 121.6507 58.2873 29.5976 178.6895 19 K 3.8208 7.6777 119.2076 59.6349 32.2942 178.7100 20 L 3.9823 8.0686 119.3178 57.6740 41.4539 179.3311 21 F 3.9483 8.3758 120.9921 61.2929 39.1291 177.4587 22 K 4.1776 8.3043 117.3828 59.1843 31.8495 179.2829 23 G 3.7307 7.9137 105.4794 46.6330 0.0000 175.0616 24 R 4.5934 7.9406 116.6867 55.6840 32.1112 176.4124 25 A 4.0807 7.9431 119.4250 52.2687 20.8194 177.9488 26 A 4.2030 7.7405 117.8787 54.4004 18.4887 179.1742 27 Q 3.8154 7.8458 112.1451 58.1052 29.2660 176.2149 28 C 4.7016 8.2212 115.7351 59.8364 31.1374 173.3535 29 H 5.2330 7.6242 116.0510 54.0090 32.1878 173.3984 30 T 4.5698 8.7057 112.8664 61.2592 70.5184 174.9519 31 A 4.7348 8.6818 122.8348 51.4342 20.8228 176.0672 32 N 4.6910 7.8583 113.7800 51.0972 38.8604 174.4595 33 Q 3.1636 7.8280 121.1655 57.2520 29.2144 176.3286 34 G 3.8647 8.7881 112.4668 46.2832 0.0000 173.7081 35 G 3.7348 7.9453 107.9816 44.7724 0.0000 173.8544 36 A 4.4661 7.4295 124.5245 50.7979 19.7791 177.5807 37 N 4.8257 8.5015 117.1803 53.6266 40.3638 175.8047 38 G 4.1356 8.2225 112.7966 44.6604 0.0000 174.3054 39 V 3.6812 9.0920 123.2728 65.2625 31.3547 175.4712 40 G 4.0374 7.9015 105.6875 42.9895 0.0000 170.4987 41 P 4.8801 0.0000 0.0000 62.0038 32.1814 175.8677 42 N 4.6009 9.0344 120.4649 54.0738 39.6670 174.6603 43 L 4.5904 8.7945 124.0065 54.3731 42.4786 175.7602 44 Y 4.0724 8.1053 121.0240 58.8582 39.0079 175.9778 45 G 3.7059 7.9338 114.3515 46.3296 0.0000 174.6782 46 L 4.0081 7.6228 123.3795 57.5449 42.2030 177.7502 47 V 4.0004 7.4101 117.7043 64.2554 31.6964 175.9075 48 G 3.9565 9.3964 116.5238 44.9413 0.0000 173.3761 49 R 4.3075 7.8851 120.6512 55.9179 31.6009 175.3248 50 H 4.6469 8.7379 122.1546 55.5454 29.2392 175.6442 51 S 4.1669 8.7018 118.7221 59.0803 63.6262 174.1478 52 G 2.7116 8.8128 108.6528 46.6066 0.0000 174.0773 53 T 4.7256 7.8298 105.0996 60.4784 70.3351 173.7814 54 I 3.8594 8.4669 124.4163 61.3123 37.6003 174.9769 55 E 4.1181 8.9190 125.1013 58.5203 29.5142 176.5837 56 G 4.0674 9.1548 114.8453 45.4756 0.0000 172.6691 57 Y 3.7285 7.7629 120.5025 56.8051 39.2353 174.7627 58 A 4.2869 6.8124 130.1453 50.8143 18.6890 176.2130 59 Y 4.7256 8.3101 119.3452 57.6589 39.4995 176.7034 60 S 4.4454 8.6934 116.5437 58.4101 64.9339 175.4242 61 K 3.9479 8.7189 121.8430 59.6536 31.5938 179.2583 62 A 4.0111 7.9944 119.2087 55.4556 18.1920 178.8181 63 N 4.4893 8.6522 115.4428 56.6179 38.8170 176.9889 64 A 3.8565 8.3932 122.0871 54.7825 18.6269 178.6736 65 E 4.2610 8.1300 114.4771 57.0520 29.9729 178.2762 66 S 4.2159 7.4908 114.2887 59.2957 62.9906 174.6496 67 G 3.8333 7.9200 108.4702 46.5350 0.0000 172.9290 68 V 4.2186 7.0934 111.6259 59.0691 35.2745 174.9485 69 V 4.3166 7.6477 120.7125 60.4931 33.5091 176.5831 70 W 4.9139 8.5206 130.4650 56.2422 26.9012 176.0885 71 T 4.4313 7.6641 112.8124 60.3631 70.1378 174.5753 72 P 4.2787 0.0000 0.0000 66.1781 31.3396 178.6256 73 D 4.4164 8.0671 117.2566 56.4101 39.4595 178.7056 74 V 3.8108 7.5670 118.6683 65.7741 31.5849 178.0231 75 L 4.1342 8.3054 118.8875 57.7048 41.4243 178.5800 76 D 4.3313 8.1588 118.0918 57.7232 40.8883 178.7871 77 V 3.6466 7.2861 116.0014 66.0357 31.7979 177.0733 78 Y 3.9793 7.7112 119.1302 60.8279 38.5624 178.3078 79 L 3.8752 8.4838 119.6996 57.1758 41.4801 179.0964 80 E 4.2889 7.9380 120.8268 57.8576 30.3352 175.5041 81 N 5.0424 7.8546 116.7896 52.0883 40.6126 173.2663 82 P 3.8854 0.0000 0.0000 62.3050 31.6359 178.5040 *84 K 4.2539 8.1778 120.6268 56.5437 33.7637 176.6771 85 F 4.3349 8.4706 119.6880 60.9238 40.0807 174.9776 86 M 4.9047 8.8815 119.3198 52.8241 31.8742 172.4465 87 P 4.5459 0.0000 0.0000 64.2158 32.4060 177.8018 88 G 4.0054 8.9021 109.2913 45.4471 0.0000 173.7397 89 T 4.1613 7.7842 114.2127 62.2420 67.8265 173.6789 90 K 4.4333 8.5811 124.3638 56.7067 32.9653 175.8349 91 M 4.2537 7.9518 120.1343 55.7165 32.2727 177.4525 92 S 4.5809 8.4382 127.4147 57.2590 61.8013 173.9115 93 F 4.8687 7.5986 120.7802 56.1807 42.3865 174.2991 94 A 3.8290 8.0082 131.0983 54.3624 18.5518 176.3956 95 G 3.9369 5.5903 98.9633 44.4568 0.0000 172.9506 96 M 4.4771 8.9263 120.0722 53.4615 32.9594 177.4675 97 K 4.0706 8.5319 123.4922 57.5214 33.1289 177.7121 98 K 4.3514 7.7838 119.6355 54.4559 33.1450 175.0166 99 P 4.2490 0.0000 0.0000 65.9564 31.3037 178.3489 100 Q 3.9642 8.0316 117.4389 59.2301 28.9896 177.9258 101 E 3.9641 8.1217 119.1518 59.2975 29.5671 179.0430 102 R 3.8802 8.1845 118.5197 59.4721 30.0979 178.3253 103 A 4.0233 8.3383 120.8222 55.3015 18.2961 179.3734 104 D 4.3653 8.3285 117.3812 57.5214 40.8513 179.0655 105 V 3.7010 8.0333 118.8534 66.1962 31.4810 178.0587 106 I 3.6682 7.9960 119.2227 64.3807 36.7265 178.2020 107 A 4.4178 7.9851 121.9364 54.7432 18.4648 178.7677 108 Y 4.1782 8.2572 118.0557 60.9379 38.9159 178.2524 109 L 3.5720 8.0721 120.0923 57.7073 41.5035 179.4092 110 E 3.9496 8.1928 118.7251 59.0456 29.1374 178.8326 111 T 4.0308 7.3300 108.2677 62.6940 70.5327 175.3417 112 L 4.0574 7.1265 125.2197 52.4713 40.0198 174.7350 113 K 4.2493 7.1972 118.4646 55.4746 36.0440 177.2044 114 G 4.0780 8.6813 106.9126 45.8738 0.0000 173.5285 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 5 A 8.26 4.29 1.28 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 0.00 0.00 6 R 8.25 4.13 0.00 1.89 1.87 0.00 3.34 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 7 A 9.30 4.13 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 8 P 0.00 4.39 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 9 L 8.14 4.36 0.00 1.65 1.61 0.94 1.16 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 10 P 0.00 4.55 0.00 2.29 2.07 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 11 P 0.00 4.31 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 12 G 8.43 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 13 D 9.39 4.80 0.00 2.65 2.54 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 14 A 8.62 4.05 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 15 A 8.05 3.94 1.37 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 0.00 0.00 0.00 16 R 8.67 3.98 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 17 G 8.30 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 0.00 0.00 0.00 18 E 8.15 2.57 0.00 1.58 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 2.07 1.67 0.00 19 K 7.68 3.82 0.00 1.82 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 20 L 8.07 3.98 0.00 1.89 1.72 0.98 1.18 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 21 F 8.38 3.95 0.00 3.05 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 22 K 8.30 4.18 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 23 G 7.91 3.73 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 0.00 0.00 0.00 24 R 7.94 4.59 0.00 1.74 2.01 0.00 3.35 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 25 A 7.94 4.08 0.12 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 0.00 0.00 26 A 7.74 4.20 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 27 Q 7.85 3.82 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 28 C 8.22 4.70 0.00 2.62 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 29 H 7.62 5.23 0.00 2.92 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.71 4.57 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 1.30 0.00 0.00 31 A 8.68 4.73 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 32 N 7.86 4.69 0.00 2.84 2.95 0.00 0.00 5.85 7.58 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 33 Q 7.83 3.16 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 34 G 8.79 3.86 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 0.00 0.00 0.00 35 G 7.95 3.73 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 0.00 0.00 0.00 36 A 7.43 4.47 1.28 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 0.00 0.00 37 N 8.50 4.83 0.00 2.81 2.96 0.00 0.00 6.66 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 38 G 8.22 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 0.00 0.00 0.00 0.00 39 V 9.09 3.68 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 0.81 0.00 0.00 0.92 0.00 0.00 40 G 7.90 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 41 P 0.00 4.88 0.00 1.93 1.38 0.00 3.30 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 42 N 9.03 4.60 0.00 3.05 2.82 0.00 0.00 7.01 7.30 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 43 L 8.79 4.59 0.00 1.71 1.53 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.11 4.07 0.00 3.03 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 45 G 7.93 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 0.00 0.00 0.00 46 L 7.62 4.01 0.00 1.81 1.55 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.41 4.00 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 0.86 0.00 0.00 0.86 0.00 0.00 48 G 9.40 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 49 R 7.89 4.31 0.00 2.07 2.03 0.00 3.18 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 50 H 8.74 4.65 0.00 3.02 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.70 4.17 0.00 3.71 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 52 G 8.81 2.71 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 0.00 0.00 0.00 53 T 7.83 4.73 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 1.25 0.00 0.00 54 I 8.47 3.86 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 1.08 0.00 0.00 55 E 8.92 4.12 0.00 1.99 1.98 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 2.35 2.39 0.00 56 G 9.15 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 0.00 0.00 0.00 57 Y 7.76 3.73 0.00 2.86 2.50 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 0.00 0.00 0.00 0.00 58 A 6.81 4.29 1.01 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 0.00 0.00 59 Y 8.31 4.73 0.00 3.05 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 60 S 8.69 4.45 0.00 4.16 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 0.00 61 K 8.72 3.95 0.00 1.86 1.94 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.56 7.81 62 A 7.99 4.01 1.42 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 0.00 0.00 63 N 8.65 4.49 0.00 3.05 3.13 0.00 0.00 7.18 8.70 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 64 A 8.39 3.86 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 65 E 8.13 4.26 0.00 2.04 1.98 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 2.30 2.31 0.00 66 S 7.49 4.22 0.00 3.97 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 67 G 7.92 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 0.00 0.00 0.00 68 V 7.09 4.22 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 0.58 0.00 0.00 -0.10 0.00 0.00 69 V 7.65 4.32 1.93 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 0.75 0.00 0.00 0.67 0.00 0.00 70 W 8.52 4.91 0.00 3.29 2.98 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 71 T 7.66 4.43 4.27 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 1.20 0.00 0.00 72 P 0.00 4.28 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 73 D 8.07 4.42 0.00 2.91 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 74 V 7.57 3.81 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 1.02 0.00 0.00 0.97 0.00 0.00 75 L 8.31 4.13 0.00 1.93 1.72 0.98 0.40 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 76 D 8.16 4.33 0.00 2.84 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 77 V 7.29 3.65 2.26 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 1.12 0.00 0.00 1.10 0.00 0.00 78 Y 7.71 3.98 0.00 1.96 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 79 L 8.48 3.88 0.00 1.73 1.75 0.92 0.72 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 80 E 7.94 4.29 0.00 2.15 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 0.00 2.30 2.17 0.00 81 N 7.85 5.04 0.00 2.65 2.66 0.00 0.00 7.20 7.56 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 82 P 0.00 3.89 0.00 2.17 1.69 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.64 0.00 *84 K 8.18 4.25 0.00 1.79 2.10 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 85 F 8.47 4.33 0.00 3.23 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 86 M 8.88 4.90 0.00 2.39 2.49 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 87 P 0.00 4.55 0.00 2.25 2.08 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 88 G 8.90 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 0.00 0.00 0.00 0.00 89 T 7.78 4.16 4.57 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 0.00 0.00 0.00 1.42 0.00 0.00 90 K 8.58 4.43 0.00 1.97 1.96 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.54 7.81 91 M 7.95 4.25 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 92 S 8.44 4.58 0.00 3.94 3.85 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 93 F 7.60 4.87 0.00 2.75 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 94 A 8.01 3.83 1.05 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 95 G 5.59 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.93 4.48 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 97 K 8.53 4.07 0.00 1.71 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 98 K 7.78 4.35 0.00 1.80 1.74 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 99 P 0.00 4.25 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 100 Q 8.03 3.96 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 101 E 8.12 3.96 0.00 2.18 2.01 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 2.41 2.38 0.00 102 R 8.18 3.88 0.00 2.05 2.08 0.00 3.32 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 103 A 8.34 4.02 1.44 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 0.00 0.00 104 D 8.33 4.37 0.00 2.89 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 0.00 105 V 8.03 3.70 2.27 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 1.23 0.00 0.00 1.06 0.00 0.00 106 I 8.00 3.67 2.01 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 1.46 0.53 0.92 0.00 0.00 107 A 7.99 4.42 1.40 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 0.00 0.00 108 Y 8.26 4.18 0.00 3.13 3.14 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 0.00 109 L 8.07 3.57 0.00 1.75 1.53 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.19 3.95 0.00 2.13 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 2.42 0.00 111 T 7.33 4.03 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 1.19 0.00 0.00 112 L 7.13 4.06 0.00 1.37 1.20 0.46 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.20 4.25 0.00 1.64 1.47 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.34 7.81 114 G 8.68 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 * Residues marked with a * may have inaccurate shift predictions.