NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.0909 8.2985 118.7608 56.2242 32.1638 177.4496 15 A 3.7542 8.0378 124.7409 53.7710 19.2709 177.8671 16 G 4.0038 8.6591 104.4467 48.0771 0.0000 173.3369 17 I 3.9064 7.3526 119.6689 63.8210 37.4906 177.0081 18 T 3.7755 7.4381 116.6928 63.1708 68.9350 174.7316 19 G 3.5916 7.5870 113.3983 44.7018 0.0000 171.0339 20 T 4.6810 7.4679 116.7377 61.6703 70.1421 174.6362 21 W 4.9921 8.8073 125.0295 55.0141 33.5636 173.9019 22 Y 5.5472 9.3451 120.0829 56.4861 41.3977 175.4240 23 N 5.4996 9.4800 121.6407 50.5669 39.8855 175.7584 24 Q 3.9387 8.6853 116.3754 59.4877 28.1697 178.3027 25 L 4.4376 8.2149 115.1162 53.9238 41.9385 177.4861 26 G 4.0562 8.6861 108.2335 45.1895 0.0000 174.1548 27 S 4.7471 8.3734 116.3498 59.2189 64.4712 173.4286 28 T 4.9253 8.9554 119.5226 61.6917 71.7667 172.6915 29 F 4.9402 9.0411 129.4048 56.5212 41.6299 173.9957 30 I 4.6262 8.5222 128.8575 59.3733 39.1851 175.4035 31 V 4.5409 8.1309 126.1803 60.0281 35.2186 174.3056 32 T 4.7098 8.9239 119.4410 61.7074 71.2365 172.8852 33 A 4.6546 8.7051 129.3176 50.3336 20.1117 177.2322 34 G 3.9269 9.4334 112.3123 44.3792 0.0000 174.2735 35 A 4.0510 8.5747 122.6950 55.0519 18.3706 178.4603 36 D 4.4852 8.0175 112.3336 53.7983 39.9277 177.1306 37 G 3.3671 8.2866 109.2915 44.7465 0.0000 173.3260 38 A 4.6307 8.2381 122.2433 51.8210 19.8636 176.5647 39 L 5.2490 9.0308 121.9325 53.1345 44.6769 175.8474 40 T 4.8701 8.8596 113.3520 59.4830 72.2871 174.1873 41 G 4.3854 7.8935 109.6387 46.3741 0.0000 171.4245 42 T 5.2402 7.5062 109.9287 60.2542 73.0130 172.4280 43 Y 5.2046 9.2684 124.5155 56.0534 41.9237 174.3603 44 E 5.8247 9.0313 123.1934 55.8193 33.7852 174.0339 45 S 5.0591 8.7593 115.3477 57.1795 64.5733 175.7651 46 A 4.6043 8.4864 123.6634 54.8297 18.9011 177.1154 *49 N 4.3256 8.0709 114.6137 52.9211 39.5563 174.7727 50 A 4.0681 8.3568 129.5185 55.0830 18.8101 179.0918 51 E 3.3230 7.7134 114.6161 58.4793 29.8064 177.7973 52 S 4.9338 8.0312 112.1647 57.9741 64.4455 173.3561 53 R 5.1460 7.5643 121.1651 55.7623 31.1103 175.2206 54 Y 4.8910 9.0648 122.9662 55.8781 42.3666 175.0805 55 V 4.2943 8.6607 123.1392 63.0558 32.7108 174.9626 56 L 5.2459 8.8789 126.2265 54.6225 44.2288 175.0589 57 T 5.0230 8.5263 113.1813 61.6396 71.4451 173.3153 58 G 4.6985 8.7111 112.0201 46.4126 0.0000 172.0817 59 R 5.6265 8.6920 117.6904 54.9339 34.7561 174.1758 60 Y 5.3082 8.7042 118.8552 55.3149 41.6219 174.6168 61 D 4.2733 9.1676 121.1352 54.2782 40.6327 176.7857 62 S 4.3146 8.1171 120.6205 58.8733 63.9765 174.6289 63 A 4.6752 8.1426 123.6474 50.0994 18.7089 173.9175 64 P 4.7460 0.0000 0.0000 60.8511 32.7157 177.2986 65 A 4.2596 8.3827 122.1903 52.7421 18.9202 177.4978 66 T 4.6947 8.2428 108.5885 61.8286 69.2184 174.5856 67 D 4.7898 8.4732 117.8303 54.1966 39.8498 176.9272 68 G 3.9788 8.3302 107.6245 45.6694 0.0000 174.5424 69 S 4.2788 8.1346 115.7786 58.1530 63.3351 174.1946 70 G 4.1938 8.3684 110.3065 45.9759 0.0000 172.6556 71 T 4.8208 8.7950 116.4999 61.5185 70.2206 174.7896 72 A 4.8447 8.6949 129.3137 52.2045 20.0397 175.8602 73 L 5.0560 8.8230 120.3614 55.5767 44.6864 173.8981 74 G 4.6083 9.1933 104.9682 45.8772 0.0000 172.1725 75 W 5.6952 8.4586 116.8211 55.7976 32.3498 173.3695 76 T 5.2530 9.2978 116.6049 61.8006 72.1584 173.3016 77 V 4.6536 8.7642 124.7149 60.9394 34.2170 173.9568 78 A 4.5305 8.3326 129.8011 49.8015 20.0137 177.7205 79 W 4.1641 8.5527 126.0800 56.4000 28.6934 176.4486 80 K 5.2882 7.9493 118.3740 54.7098 34.7742 174.4832 81 N 4.8784 9.0832 123.1293 52.2511 39.4260 174.2336 82 N 4.2384 8.5992 113.8979 55.2205 39.0580 175.1236 83 Y 4.5408 7.5829 115.2056 58.9780 39.5069 176.0923 84 R 4.7911 8.8315 116.9533 54.5505 34.4269 173.7260 85 N 5.2355 8.5645 117.1522 52.3793 41.0326 173.9213 86 A 4.3197 8.9847 128.2257 51.7651 20.0813 176.0561 87 H 4.1445 8.4169 113.4938 55.7819 26.7533 173.1575 88 S 5.2155 7.4239 111.7496 58.0887 66.7900 174.9656 89 A 4.9995 8.8596 121.0260 51.0281 22.8139 175.3077 90 T 4.9315 8.7621 118.5952 61.7429 71.7432 173.4071 91 T 4.8781 8.4322 115.5948 59.6358 71.7857 172.7750 92 W 4.9641 8.7379 125.3520 54.7841 31.5949 174.7150 93 S 5.0260 8.6194 119.7430 56.8489 64.7526 173.3772 94 G 4.4033 8.4951 112.4792 46.6057 0.0000 171.6703 95 Q 5.2810 8.4484 116.9772 54.9382 32.5133 173.3245 96 Y 4.8070 9.2271 123.5509 56.9035 40.6916 174.1337 97 V 4.0925 8.6438 126.4376 61.0376 34.2795 175.6346 98 G 4.0890 7.9800 115.8601 44.5545 0.0000 170.4789 99 G 3.8720 8.9952 104.7807 43.4881 0.0000 173.8649 100 A 4.0946 8.6170 121.3831 54.3824 18.9250 177.9467 101 E 4.7323 7.7794 113.4163 54.6844 29.6565 175.9090 102 A 4.4678 7.7817 120.2329 52.9719 19.8093 178.5808 103 R 5.3023 9.2294 118.5693 54.9306 35.6444 174.3338 104 I 4.8992 9.0208 122.2130 59.8507 40.0789 174.3366 105 N 5.3546 8.9899 125.9464 52.2686 40.2867 174.7267 106 T 5.3090 9.1746 112.8881 60.2556 73.1712 172.5752 107 Q 5.1575 9.0998 121.1218 53.8785 32.2826 174.8213 108 W 5.3749 8.3567 118.7116 54.6432 32.3653 173.8590 109 L 5.2391 8.6855 120.0232 52.9462 44.9165 175.3245 110 L 4.8986 9.3992 126.7805 53.8728 44.1005 174.7867 111 T 5.0584 8.7386 124.1877 62.0155 70.6917 174.1609 112 S 5.1015 8.9132 123.2695 56.8013 64.6461 174.5610 113 G 3.8969 8.7692 111.9364 46.7078 0.0000 172.9697 114 T 4.7729 8.2412 112.9793 59.5158 72.4358 173.2439 115 T 4.1144 8.0733 112.1943 60.9613 70.0810 175.3196 116 E 3.9865 8.7721 120.5794 59.5665 29.1123 179.5040 117 A 4.2044 8.0592 119.2558 54.2913 18.7769 178.1652 118 N 4.7350 7.7679 112.6893 53.2333 38.9981 176.6922 119 A 4.0808 8.1472 126.1974 54.0568 18.1521 180.0719 120 W 4.2636 8.3792 113.7810 58.5380 28.3973 176.9138 121 K 4.1374 6.8078 117.5351 56.1769 32.1452 177.4860 122 S 4.1183 7.8631 117.3936 60.9436 63.3637 173.5005 123 T 5.0670 7.6301 116.9687 61.6410 70.6948 173.7656 124 L 4.7000 9.0094 127.5351 53.6380 43.7727 176.2554 125 V 4.3872 7.7190 120.4937 60.3662 34.4659 175.3870 126 G 2.9979 6.5025 107.2975 46.0396 0.0000 171.4077 127 H 5.3811 8.0696 113.9316 54.3223 31.7360 172.7308 128 D 5.1964 9.3280 119.3874 53.2729 45.5516 174.3530 129 T 5.1399 8.8976 118.6276 61.8427 71.6187 173.1124 130 F 5.6265 9.5270 124.9164 56.1158 42.3559 174.6368 131 T 5.7398 9.3950 111.9568 60.3975 72.4745 174.3995 132 K 3.9303 8.9286 119.3314 56.6692 32.6491 177.2697 133 V 4.3249 7.0492 118.8116 59.0656 32.9856 175.7415 134 K 3.1353 8.0535 125.5667 55.2152 32.3745 174.7642 135 P 4.4136 0.0000 0.0000 62.5859 32.3787 175.2598 136 S 4.5499 7.7826 113.3723 56.3496 64.1875 174.7972 137 A 4.7869 8.6012 124.1138 54.4788 17.8660 178.8208 138 A 4.0347 7.5310 119.5569 55.5489 18.8199 179.0873 139 S 4.1079 7.7881 111.1043 59.6191 63.6479 174.9693 140 I 4.1510 8.0672 120.7468 61.6835 38.5803 175.3684 141 D 4.6970 8.0542 117.3748 56.1755 43.9277 177.4854 142 A 3.9362 9.3802 119.5419 54.8064 17.7944 180.0347 143 A 3.8764 8.2913 123.6868 53.4991 20.2305 180.8670 144 K 4.0213 8.1213 117.4593 59.1974 32.3560 178.8084 145 K 4.1433 12.0000 116.1296 57.8457 32.1847 177.6134 146 A 4.0402 7.4807 120.8543 52.7817 18.4369 178.1314 147 G 3.9852 7.6098 103.7022 45.8748 0.0000 174.1136 148 V 3.9807 7.7478 124.5407 61.6066 32.4782 175.9755 149 N 5.2750 8.2915 116.7044 52.6524 39.6143 174.9299 150 N 4.5008 8.4534 115.2678 53.3024 38.0589 174.5657 151 G 2.0000 8.3159 109.5794 44.6230 0.0000 172.4314 152 N 3.5809 7.3823 118.9370 50.3795 39.5114 173.2090 153 P 4.0890 0.0000 0.0000 61.9715 32.0713 176.0556 154 L 3.9470 8.3500 120.0818 59.4291 40.1860 178.9834 155 D 4.6472 7.8351 120.8704 51.3958 38.1328 176.3837 156 A 4.9724 7.6619 124.1065 52.7178 18.9794 176.8010 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 14 E 8.30 4.09 0.00 2.21 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 2.33 2.42 0.00 15 A 8.04 3.75 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 16 G 8.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.35 3.91 1.34 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.52 0.00 0.00 18 T 7.44 3.78 4.19 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 1.09 0.00 0.00 19 G 7.59 3.59 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 0.00 0.00 0.00 20 T 7.47 4.68 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 0.63 0.00 0.00 21 W 8.81 4.99 0.00 3.12 3.22 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 22 Y 9.35 5.55 0.00 2.98 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 23 N 9.48 5.50 0.00 2.47 2.60 0.00 0.00 6.56 7.00 0.00 0.00 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 Q 8.69 3.94 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.31 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 25 L 8.21 4.44 0.00 1.72 1.76 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.69 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 27 S 8.37 4.75 0.00 4.11 3.93 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 28 T 8.96 4.93 4.21 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 1.06 0.00 0.00 29 F 9.04 4.94 0.00 2.45 2.48 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 0.00 30 I 8.52 4.63 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 0.73 0.00 0.00 31 V 8.13 4.54 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 0.26 0.00 0.00 0.65 0.00 0.00 32 T 8.92 4.71 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 1.14 0.00 0.00 33 A 8.71 4.65 0.63 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 0.00 0.00 34 G 9.43 3.93 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 0.00 0.00 0.00 35 A 8.57 4.05 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 36 D 8.02 4.49 0.00 2.78 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 37 G 8.29 3.37 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 0.00 38 A 8.24 4.63 1.36 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 39 L 9.03 5.25 0.00 1.67 1.54 1.14 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.86 4.87 4.21 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 1.21 0.00 0.00 41 G 7.89 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 42 T 7.51 5.24 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 1.20 0.00 0.00 43 Y 9.27 5.20 0.00 3.00 2.91 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 44 E 9.03 5.82 0.00 2.07 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 2.35 2.16 0.00 45 S 8.76 5.06 0.00 3.87 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 46 A 8.49 4.60 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 *49 N 8.07 4.33 0.00 2.75 2.77 0.00 0.00 7.05 7.78 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 50 A 8.36 4.07 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 51 E 7.71 3.32 0.00 1.86 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 1.60 1.47 0.00 52 S 8.03 4.93 0.00 4.08 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 53 R 7.56 5.15 0.00 2.03 1.85 0.00 3.21 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 1.61 1.65 0.00 54 Y 9.06 4.89 0.00 2.85 2.70 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 55 V 8.66 4.29 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.88 5.25 0.00 2.08 1.79 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.53 5.02 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 58 G 8.71 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 59 R 8.69 5.63 0.00 1.77 1.79 0.00 3.31 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.70 5.31 0.00 3.07 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 61 D 9.17 4.27 0.00 2.78 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 62 S 8.12 4.31 0.00 3.89 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 63 A 8.14 4.68 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 64 P 0.00 4.75 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.38 4.26 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 66 T 8.24 4.69 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 1.24 0.00 0.00 67 D 8.47 4.79 0.00 2.78 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 68 G 8.33 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 0.00 0.00 0.00 69 S 8.13 4.28 0.00 3.93 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 70 G 8.37 4.19 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 0.00 71 T 8.79 4.82 4.59 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 1.49 0.00 0.00 72 A 8.69 4.84 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 73 L 8.82 5.06 0.00 2.12 1.96 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.19 4.61 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 0.00 75 W 8.46 5.70 0.00 3.55 3.29 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 76 T 9.30 5.25 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 1.23 0.00 0.00 77 V 8.76 4.65 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 -0.27 0.00 0.00 0.88 0.00 0.00 78 A 8.33 4.53 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 79 W 8.55 4.16 0.00 3.32 2.91 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 80 K 7.95 5.29 0.00 1.93 1.74 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 81 N 9.08 4.88 0.00 2.75 2.55 0.00 0.00 6.65 7.41 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 82 N 8.60 4.24 0.00 2.06 2.50 0.00 0.00 6.67 7.46 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 83 Y 7.58 4.54 0.00 3.09 2.99 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 84 R 8.83 4.79 0.00 2.07 1.89 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 85 N 8.56 5.24 0.00 2.63 2.56 0.00 0.00 6.92 7.96 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 86 A 8.98 4.32 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 87 H 8.42 4.14 0.00 3.36 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.42 5.22 0.00 4.00 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 89 A 8.86 5.00 1.17 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 90 T 8.76 4.93 3.74 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 -0.42 0.00 0.00 91 T 8.43 4.88 4.16 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 0.00 0.00 1.16 0.00 0.00 92 W 8.74 4.96 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.62 5.03 0.00 3.80 3.64 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 94 G 8.50 4.40 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 0.00 95 Q 8.45 5.28 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.23 4.81 0.00 2.98 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 97 V 8.64 4.09 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 0.91 0.00 0.00 0.89 0.00 0.00 98 G 7.98 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 99 G 9.00 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 0.00 0.00 0.00 100 A 8.62 4.09 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 0.00 101 E 7.78 4.73 0.00 1.94 1.94 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 2.22 2.36 0.00 102 A 7.78 4.47 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.23 5.30 0.00 1.81 1.88 0.00 3.15 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 104 I 9.02 4.90 1.83 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.35 1.04 0.00 0.00 105 N 8.99 5.35 0.00 2.73 2.80 0.00 0.00 6.08 7.16 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 0.00 106 T 9.17 5.31 4.50 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 1.45 0.00 0.00 107 Q 9.10 5.16 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 108 W 8.36 5.37 0.00 2.62 2.35 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 0.00 109 L 8.69 5.24 0.00 1.53 1.53 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.40 4.90 0.00 1.54 1.68 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.74 5.06 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 1.24 0.00 0.00 112 S 8.91 5.10 0.00 3.65 3.74 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 0.00 113 G 8.77 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 0.00 114 T 8.24 4.77 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 1.13 0.00 0.00 115 T 8.07 4.11 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 0.00 116 E 8.77 3.99 0.00 2.02 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 0.00 2.41 2.34 0.00 117 A 8.06 4.20 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 0.00 118 N 7.77 4.74 0.00 2.69 2.63 0.00 0.00 6.73 7.23 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 0.00 119 A 8.15 4.08 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 0.00 120 W 8.38 4.26 0.00 3.55 3.22 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 0.00 121 K 6.81 4.14 0.00 1.19 0.74 0.00 0.85 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.69 7.81 122 S 7.86 4.12 0.00 4.13 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 0.00 123 T 7.63 5.07 4.21 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 1.19 0.00 0.00 124 L 9.01 4.70 0.00 1.78 1.74 0.94 0.51 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 0.00 125 V 7.72 4.39 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 0.53 0.00 0.00 0.69 0.00 0.00 126 G 6.50 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 0.00 0.00 0.00 127 H 8.07 5.38 0.00 3.17 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.33 5.20 0.00 2.97 2.36 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 0.00 129 T 8.90 5.14 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 1.43 0.00 0.00 130 F 9.53 5.63 0.00 3.11 3.31 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 0.00 131 T 9.40 5.74 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 1.40 0.00 0.00 132 K 8.93 3.93 0.00 1.58 1.62 0.00 0.80 0.00 0.00 1.35 0.00 0.00 2.55 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.67 7.81 133 V 7.05 4.32 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 0.87 0.00 0.00 134 K 8.05 3.14 0.00 0.79 1.05 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.14 7.81 135 P 0.00 4.41 0.00 2.21 2.06 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 136 S 7.78 4.55 0.00 3.75 3.75 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 0.00 137 A 8.60 4.79 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 0.00 138 A 7.53 4.03 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 0.00 139 S 7.79 4.11 0.00 4.00 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 0.00 140 I 8.07 4.15 2.22 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 1.32 0.88 0.94 0.00 0.00 141 D 8.05 4.70 0.00 2.77 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 0.00 142 A 9.38 3.94 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 0.00 143 A 8.29 3.88 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 0.00 144 K 8.12 4.02 0.00 1.89 2.03 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 145 K 12.00 4.14 0.00 1.81 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.79 7.81 146 A 7.48 4.04 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 0.00 147 G 7.61 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 0.00 148 V 7.75 3.98 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 0.78 0.00 0.00 1.06 0.00 0.00 149 N 8.29 5.27 0.00 2.84 2.99 0.00 0.00 6.97 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 N 8.45 4.50 0.00 2.86 2.88 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.38 3.58 0.00 2.58 2.61 0.00 0.00 7.18 7.69 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 0.00 153 P 0.00 4.09 0.00 1.87 1.67 0.00 2.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 0.00 154 L 8.35 3.95 0.00 1.71 1.80 0.88 0.69 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 0.00 155 D 7.84 4.65 0.00 2.64 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 0.00 156 A 7.66 4.97 0.58 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.