NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4907 8.1749 117.3746 63.5021 70.1035 172.9840 2 S 4.5956 9.7828 121.5512 55.0644 66.4040 171.5848 3 I 5.3296 8.1764 118.0847 59.6691 41.1973 173.9053 4 M 4.8570 8.8444 119.4644 54.5701 34.9110 173.1795 5 A 5.1726 8.4249 120.7160 50.3486 22.4638 175.5687 6 V 4.5183 8.8464 122.1772 61.1557 34.5688 175.0897 7 T 4.7448 8.7234 118.2471 61.2421 70.2279 173.4708 8 F 4.9174 8.6852 117.5747 55.4076 41.2805 175.2718 9 K 3.9634 8.7666 121.1730 59.9103 31.9522 176.8837 10 D 4.5446 7.3742 116.1866 54.7977 42.9742 177.5523 11 G 4.2217 5.3996 110.5989 45.7275 0.0000 176.1223 12 V 5.0762 8.4779 117.8459 60.4221 33.8509 172.5631 13 I 4.6645 8.9517 122.5920 59.6432 40.6490 174.2782 14 L 5.0657 8.6114 126.1658 53.2269 43.6547 176.0005 15 G 4.3446 9.0248 109.0174 44.9610 0.0000 171.0111 16 A 5.6560 8.3460 119.7097 51.8257 21.9868 175.8292 17 D 4.7558 8.7443 120.2159 52.3810 41.7342 175.9617 18 S 4.9986 8.3538 110.3671 57.2609 64.1091 172.9781 19 R 5.1563 8.4180 120.9655 55.6685 31.7339 175.1207 20 T 4.8635 8.9078 116.3679 60.0641 71.7147 172.9629 21 T 5.0944 8.5741 113.9318 60.2347 72.4863 173.9757 22 T 4.4621 8.6035 112.7302 60.2529 69.9412 174.4379 23 G 4.0764 8.4778 120.7588 46.7726 0.0000 172.5327 24 A 4.3495 8.5605 125.8904 52.4319 19.5486 176.5471 25 Y 4.3346 7.6258 117.4553 56.7518 39.5162 174.7562 26 I 3.8837 7.2552 127.9337 59.5847 36.4243 175.2589 27 A 4.1610 8.2936 129.0831 54.2965 18.7315 177.5899 28 N 4.8753 8.1313 114.0737 52.0626 41.5820 174.4963 29 R 4.6510 8.6551 120.4371 56.1934 30.2063 176.1362 30 V 4.6293 7.9875 111.9435 61.5321 32.0940 176.2059 31 T 4.0255 8.4543 117.1864 63.8162 69.8967 173.9046 32 D 4.9268 8.6511 124.7166 52.8920 42.1576 175.6332 33 K 4.4007 8.6897 124.6608 56.5192 33.6329 176.1656 34 L 4.8310 8.1694 121.4798 53.8400 42.5721 175.9422 35 T 4.5723 8.8761 121.5685 61.5234 71.3486 174.0149 36 R 3.2195 7.7700 125.7805 54.9893 30.6246 176.2318 37 V 4.1794 7.6390 117.7305 61.8551 33.6143 175.0143 38 H 4.6259 7.7765 117.0301 55.2845 32.4876 174.0002 39 D 4.5451 8.1653 123.8496 56.6799 40.7709 179.3313 40 K 4.9942 8.2078 116.7701 56.1376 34.3736 175.2705 41 I 5.0464 8.3985 121.5189 59.7088 40.3038 174.8396 42 W 5.2627 9.7360 126.9866 54.9503 33.4181 174.0968 43 C 5.2803 9.5313 114.6795 57.2922 33.2083 172.5659 44 C 5.2169 9.1490 117.9915 58.2122 30.2852 173.0246 45 R 5.0998 8.4840 122.9064 54.5337 31.7023 175.7984 46 S 4.6099 8.8975 116.7629 56.5189 66.9846 174.3522 47 G 4.3865 9.0399 106.4644 44.4883 0.0000 176.0012 48 S 4.3095 9.7390 121.5832 57.1866 62.9483 174.3960 49 A 3.9868 8.8651 129.7449 55.2379 18.2632 179.2151 50 A 3.9510 7.9578 118.7579 55.4201 18.4550 179.4472 51 D 4.3132 8.6291 117.9379 57.8267 40.9753 179.2160 52 T 3.9560 8.3076 110.6587 64.7390 68.6546 176.5996 53 Q 3.9370 8.3379 120.6615 58.7602 28.9040 178.4250 54 A 3.9981 7.9719 121.6480 55.3179 18.3795 179.7503 55 I 3.6135 8.0727 118.0647 64.4239 37.1479 178.4230 56 A 4.0194 8.5189 121.9074 55.4641 18.3866 179.1928 57 D 4.3166 8.4385 117.6779 57.8448 40.8185 179.4369 58 I 3.8205 7.7038 119.9126 64.2228 37.0769 178.6390 59 V 3.3970 7.7599 119.2260 65.9867 31.2818 177.8069 60 Q 4.1510 8.3282 119.6300 59.2210 28.7912 177.7872 61 Y 4.1586 7.8361 120.1469 61.0995 38.8721 177.6191 62 H 3.8205 8.2916 117.1899 58.9361 28.7391 177.9029 63 L 4.0214 8.3280 121.1087 57.6182 41.2509 179.1709 64 E 3.9321 8.2593 119.4917 59.0498 29.3911 178.6784 65 L 3.8281 7.8060 120.5687 57.9621 42.0413 178.0482 66 Y 3.8316 8.2990 119.9788 61.1871 38.4765 178.5107 67 T 4.4375 8.0161 116.9305 66.2667 68.6106 176.7681 68 S 4.1778 7.6969 116.2980 60.6966 62.7860 175.7398 69 Q 4.1119 6.9571 119.3463 56.7225 29.5682 176.1236 70 Y 4.4821 7.4769 115.3355 57.7766 39.2164 175.6066 *72 G 4.1001 7.4939 108.7838 45.4620 0.0000 171.9932 73 T 4.2589 8.5680 115.8349 63.3788 68.7899 172.4247 74 P 4.5173 0.0000 0.0000 61.7726 32.4956 176.0854 75 S 4.4556 8.1189 114.7028 58.0311 63.7138 175.3168 76 T 3.9176 8.2864 117.2151 66.5259 68.1046 176.7240 77 E 4.0040 8.0833 121.0640 59.4444 29.7054 178.7999 78 T 3.8806 7.8877 115.7785 66.1769 68.4336 176.7255 79 A 3.9796 7.7628 122.7225 55.0131 18.3664 179.5574 80 A 4.1250 8.0937 119.3734 55.2456 18.3066 179.8658 81 S 4.0291 7.9968 111.8741 61.4486 62.5354 176.5965 82 V 3.5071 7.8369 121.0401 65.9095 31.1900 177.9433 83 F 3.9963 8.3045 117.5725 60.4396 38.7495 177.5676 84 K 3.9962 8.5348 119.4684 59.4016 32.0483 178.1536 85 E 3.9845 8.4373 119.8615 59.4847 29.5275 178.8875 86 L 4.0166 7.8316 118.4032 58.2100 41.5358 179.4064 87 C 4.2445 8.1912 115.3722 62.7804 28.4244 175.4408 88 Y 4.2241 8.5789 121.5580 60.7268 38.3636 177.2251 89 E 3.8928 8.2753 118.9900 58.4672 30.1568 176.9279 90 N 5.0256 7.9558 115.3736 52.4045 39.3330 176.3952 91 K 3.9768 7.7069 120.5533 60.0791 32.7631 177.8347 92 D 4.3061 7.6273 118.2686 56.8546 40.9217 177.5755 *94 N 5.1176 7.9036 113.9335 52.5224 40.0898 173.6841 95 L 5.1023 7.7183 116.8933 53.4831 45.4163 176.7585 96 T 4.7130 8.4344 117.1471 61.5048 69.9290 170.9297 97 A 4.9899 8.2687 123.9329 49.9656 22.5947 175.2946 98 G 4.0639 9.2757 111.2541 44.8148 0.0000 172.3130 99 I 5.0544 8.3622 126.3611 59.2837 40.5332 175.1150 100 I 4.3594 8.3223 126.7665 59.5113 39.6696 174.5292 101 V 4.6596 8.3392 127.0777 61.1338 33.1129 174.6824 102 A 4.8284 9.0817 129.2505 50.2527 22.0986 174.9100 103 G 4.5649 8.6745 107.5406 45.1265 0.0000 171.2764 104 Y 4.6641 8.8363 123.1338 55.4581 40.5848 175.2668 105 D 4.3556 7.8737 124.9801 54.2223 41.5272 175.3239 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 T 8.17 4.49 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 1.22 0.00 0.00 2 S 9.78 4.60 0.00 3.71 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 3 I 8.18 5.33 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 1.40 0.65 0.92 0.00 0.00 4 M 8.84 4.86 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.42 5.17 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 6 V 8.85 4.52 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 1.12 0.00 0.00 0.94 0.00 0.00 7 T 8.72 4.74 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 1.23 0.00 0.00 8 F 8.69 4.92 0.00 3.26 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 9 K 8.77 3.96 0.00 1.83 2.07 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.54 7.81 10 D 7.37 4.54 0.00 2.66 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 11 G 5.40 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 0.00 0.00 0.00 0.00 12 V 8.48 5.08 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 0.76 0.00 0.00 1.04 0.00 0.00 13 I 8.95 4.66 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.84 0.00 0.00 14 L 8.61 5.07 0.00 1.46 1.59 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.02 4.34 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 0.00 16 A 8.35 5.66 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 17 D 8.74 4.76 0.00 2.69 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 18 S 8.35 5.00 0.00 3.94 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 19 R 8.42 5.16 0.00 1.80 2.05 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.91 4.86 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 21 T 8.57 5.09 4.48 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 1.18 0.00 0.00 22 T 8.60 4.46 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 1.27 0.00 0.00 23 G 8.48 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 24 A 8.56 4.35 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 25 Y 7.63 4.33 0.00 3.08 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 26 I 7.26 3.88 1.57 0.00 0.00 0.78 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 0.55 0.81 0.00 0.00 27 A 8.29 4.16 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 28 N 8.13 4.88 0.00 2.65 2.60 0.00 0.00 6.84 8.92 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 29 R 8.66 4.65 0.00 1.89 1.92 0.00 3.00 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 7.99 4.63 2.08 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.45 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 1.23 0.00 0.00 32 D 8.65 4.93 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 33 K 8.69 4.40 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.17 4.83 0.00 1.86 1.86 0.98 0.82 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 35 T 8.88 4.57 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 1.17 0.00 0.00 36 R 7.77 3.22 0.00 0.67 1.09 0.00 3.09 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 37 V 7.64 4.18 2.10 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 0.89 0.00 0.00 1.07 0.00 0.00 38 H 7.78 4.63 0.00 3.14 3.13 0.00 5.90 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 39 D 8.17 4.55 0.00 2.67 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.21 4.99 0.00 1.84 2.07 0.00 1.77 0.00 0.00 2.05 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.56 7.81 41 I 8.40 5.05 1.98 0.00 0.00 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 1.38 1.40 1.03 0.00 0.00 42 W 9.74 5.26 0.00 3.20 3.24 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 0.00 43 C 9.53 5.28 0.00 2.69 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 44 C 9.15 5.22 0.00 2.82 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 45 R 8.48 5.10 0.00 1.74 1.86 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.90 4.61 0.00 3.88 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 47 G 9.04 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 0.00 0.00 0.00 0.00 48 S 9.74 4.31 0.00 3.83 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 49 A 8.87 3.99 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 50 A 7.96 3.95 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 51 D 8.63 4.31 0.00 2.67 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 52 T 8.31 3.96 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 53 Q 8.34 3.94 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 54 A 7.97 4.00 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 55 I 8.07 3.61 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 1.02 0.00 0.00 56 A 8.52 4.02 1.49 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 57 D 8.44 4.32 0.00 2.84 2.72 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 58 I 7.70 3.82 1.99 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 1.41 0.70 1.01 0.00 0.00 59 V 7.76 3.40 1.71 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 0.62 0.00 0.00 -0.15 0.00 0.00 60 Q 8.33 4.15 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 61 Y 7.84 4.16 0.00 3.02 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 62 H 8.29 3.82 0.00 3.28 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.33 4.02 0.00 1.61 1.59 0.88 0.54 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 64 E 8.26 3.93 0.00 2.07 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 0.00 2.30 2.32 0.00 65 L 7.81 3.83 0.00 1.48 1.51 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.30 3.83 0.00 3.22 3.11 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 67 T 8.02 4.44 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 1.28 0.00 0.00 68 S 7.70 4.18 0.00 3.78 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 69 Q 6.96 4.11 0.00 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 70 Y 7.48 4.48 0.00 2.28 2.57 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 0.00 *72 G 7.49 4.10 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 0.00 73 T 8.57 4.26 4.33 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 1.31 0.00 0.00 74 P 0.00 4.52 0.00 1.76 1.18 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 75 S 8.12 4.46 0.00 4.00 4.03 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 76 T 8.29 3.92 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 1.27 0.00 0.00 77 E 8.08 4.00 0.00 2.01 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 0.00 2.35 2.38 0.00 78 T 7.89 3.88 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 0.82 0.00 0.00 79 A 7.76 3.98 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 80 A 8.09 4.13 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 81 S 8.00 4.03 0.00 4.01 4.03 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 82 V 7.84 3.51 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 0.77 0.00 0.00 0.85 0.00 0.00 83 F 8.30 4.00 0.00 3.40 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 84 K 8.53 4.00 0.00 1.90 2.03 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.59 7.81 85 E 8.44 3.98 0.00 2.29 2.05 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 2.32 2.45 0.00 86 L 7.83 4.02 0.00 1.95 1.73 0.84 0.94 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 87 C 8.19 4.24 0.00 3.10 3.09 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 88 Y 8.58 4.22 0.00 2.96 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 E 8.28 3.89 0.00 2.36 1.99 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 2.38 2.36 0.00 90 N 7.96 5.03 0.00 2.89 2.74 0.00 0.00 6.59 8.31 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 91 K 7.71 3.98 0.00 1.86 2.08 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.37 1.33 7.81 92 D 7.63 4.31 0.00 2.86 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 *94 N 7.90 5.12 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.72 5.10 0.00 1.60 1.55 0.99 0.85 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 96 T 8.43 4.71 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 A 8.27 4.99 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 98 G 9.28 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 0.00 0.00 0.00 99 I 8.36 5.05 1.70 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 1.35 1.05 0.29 0.00 0.00 100 I 8.32 4.36 1.84 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 1.08 0.63 0.89 0.00 0.00 101 V 8.34 4.66 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 0.53 0.00 0.00 102 A 9.08 4.83 1.26 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 0.00 103 G 8.67 4.56 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 0.00 0.00 0.00 0.00 104 Y 8.84 4.66 0.00 3.00 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 0.00 105 D 7.87 4.36 0.00 2.50 2.25 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 * Residues marked with a * may have inaccurate shift predictions.