NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2938 8.2644 123.5838 51.8869 18.6779 175.9881 7 H 4.1112 8.4717 122.5703 56.3464 30.5474 172.8358 8 K 4.2747 8.3819 126.5451 55.8279 33.7490 176.7376 9 G 3.9930 8.7332 111.7374 45.9699 0.0000 172.7525 10 T 4.5844 8.5309 117.2883 61.3869 71.2215 173.9830 11 L 4.6502 8.4193 128.6121 54.3812 43.1257 174.8267 12 Y 4.8659 8.8044 126.0785 57.1378 39.6789 174.9752 13 V 4.6168 8.9269 125.5946 61.5627 33.4022 174.6039 14 V 4.6639 8.8390 129.0883 60.9840 33.5868 174.2429 15 A 4.9623 8.0818 130.9694 51.6235 19.5620 176.5048 16 T 4.7675 8.7566 112.5399 59.1005 71.8052 172.4172 17 P 4.7753 0.0000 0.0000 61.9690 32.5888 176.0804 18 L 4.0547 8.5077 121.2529 57.2259 42.2495 176.2084 19 G 4.1490 7.4020 104.7419 44.4481 0.0000 170.7378 20 N 4.1684 8.7016 112.4256 53.8318 36.1429 176.5610 21 L 4.0800 7.8753 117.9254 58.0983 42.0819 179.0526 22 D 4.7754 8.0156 116.4323 56.4780 41.0047 176.9428 23 D 4.5774 7.7420 120.6059 53.2058 39.3091 176.0009 *25 T 4.1717 7.6289 112.8038 60.8656 71.5684 174.3239 26 F 3.8769 8.7142 124.2940 61.6901 39.3382 177.3493 27 R 3.8068 8.2121 117.3173 59.5191 29.8755 178.1622 28 A 3.8444 7.7841 120.1740 55.1350 18.3411 179.8418 29 V 3.0949 7.5087 116.8131 65.8632 31.4551 177.8131 30 N 3.9661 7.9457 117.2685 56.5399 38.4309 176.9810 31 T 3.5902 7.3616 116.3962 66.6128 68.3161 176.2344 32 L 4.0723 7.5978 120.5970 57.6816 41.3845 179.4868 33 R 3.9047 7.9534 118.1233 58.8333 30.0654 177.3974 34 N 4.7648 7.5649 112.4189 51.8987 39.3395 175.0781 35 A 4.2221 6.9971 123.1692 51.8869 19.0781 178.6022 36 G 4.0773 8.7039 107.9131 48.8443 0.0000 173.5852 37 A 4.8605 7.7189 119.3395 51.0438 23.0299 175.1064 38 I 4.9603 8.7554 120.2011 59.4776 40.2850 174.6819 39 A 5.3592 9.1596 129.3136 50.5684 21.3562 175.3018 40 C 4.9190 8.8770 115.1580 57.4268 32.8368 174.5325 41 E 4.1931 8.9418 120.5968 57.0853 30.2068 175.5465 42 D 4.8638 7.6302 118.4800 51.9773 41.1948 175.8418 43 T 3.9391 8.2088 122.0410 65.9501 68.8049 175.8410 44 R 3.8667 7.9348 120.2173 59.5131 30.2649 178.4103 45 R 3.9242 8.1938 118.4168 59.7688 29.9683 178.6387 46 T 3.9516 8.0546 115.6120 66.6310 68.3477 176.8998 47 S 4.1355 8.4594 117.5166 61.5849 62.8521 176.7495 48 I 3.6628 7.6560 122.0896 64.2293 36.7429 178.0658 49 L 3.8942 7.9048 120.9937 58.2614 41.8522 179.0213 50 L 4.1127 8.1820 118.9566 57.7467 41.5850 179.3627 51 K 3.8774 8.2989 119.7262 59.8236 31.8707 178.0250 52 H 3.9474 8.0381 117.3356 58.9471 29.7359 176.2146 53 F 4.8503 7.6850 116.3193 56.2304 39.2697 175.7336 54 G 3.8287 7.8859 106.5256 46.6646 0.0000 174.6433 55 I 4.2122 8.0683 121.7803 59.7718 37.2703 175.5280 56 E 4.6137 8.5547 124.9903 55.6068 31.8479 176.7051 57 G 3.8978 8.8828 109.6031 45.6339 0.0000 173.5213 58 K 4.0501 7.7707 120.4355 55.7368 32.9281 176.3257 59 R 4.1343 8.5765 126.5835 56.4118 31.1202 174.7022 60 L 5.1459 8.5620 126.0832 53.0125 44.3749 175.9196 61 V 4.3841 8.9870 123.9638 61.2636 33.5146 174.2418 62 S 5.2118 8.6207 123.4322 56.9653 64.5235 172.9235 63 Y 4.3352 8.7560 127.1742 56.9356 39.3707 174.4041 64 H 4.8798 7.8644 122.5346 53.7213 32.9508 173.9810 65 S 4.0423 8.9265 120.2156 61.9434 62.8274 176.9113 66 F 4.2542 8.3162 119.9916 60.5916 39.2840 175.1841 67 N 4.5925 7.7195 117.6079 52.4827 39.2694 176.2906 68 E 3.3904 7.9139 121.2238 59.6721 29.4897 178.1741 69 E 3.9262 8.0139 117.6565 59.4960 29.5394 179.2793 70 R 3.8348 7.7004 118.2209 59.2928 30.1456 178.4906 71 A 4.0077 7.8384 120.1440 55.0781 18.4281 179.5767 72 V 3.5408 8.0165 116.8779 66.1003 31.5381 178.1168 73 R 3.8615 8.3551 118.8127 59.6499 29.9401 178.4100 74 Q 3.9748 8.1614 117.7210 58.9589 28.6356 179.1813 75 V 3.5803 7.8312 119.1497 66.0967 31.5456 178.1800 76 I 3.6779 8.0312 119.8938 64.3624 36.9254 178.2888 77 E 3.9365 8.4704 119.7469 59.2922 29.2934 179.1814 78 L 3.9626 7.9813 120.3027 58.1195 42.0789 179.0035 79 L 4.1417 8.1079 119.0486 57.9877 41.3483 179.4138 80 E 3.9754 8.2700 117.6601 59.1835 29.4469 178.4372 81 E 4.3296 7.9901 115.8303 56.5768 29.5411 177.5215 82 G 3.9350 7.9942 107.0707 45.6334 0.0000 172.7942 83 S 4.7786 7.8089 114.8143 56.3425 64.3914 173.6100 84 D 4.8190 8.7104 126.1727 54.5824 42.2599 175.2516 85 V 4.8946 8.7205 119.8585 61.1605 35.6156 173.8589 86 A 5.1983 8.8548 128.6952 50.2065 21.3693 175.0351 87 L 4.8925 9.0437 126.0099 53.9338 43.7111 175.8025 88 V 4.8354 8.4237 120.4615 60.7174 33.0593 175.4721 89 T 4.9168 8.5544 113.4882 59.7473 73.0588 172.5967 90 D 4.9548 8.2083 122.2250 54.0336 41.3990 178.0520 91 A 3.9741 9.0386 126.8914 55.1344 18.5482 179.0837 92 G 3.8247 8.0106 102.7316 46.7367 0.0000 173.3808 93 T 4.6924 7.0245 108.7446 58.5432 71.7519 172.2340 94 P 4.2539 0.0000 0.0000 62.6717 32.2013 177.6326 95 A 4.0557 8.6703 125.5267 55.2133 18.5323 179.5576 96 I 2.8396 7.3471 107.3468 62.6579 37.7187 177.0253 97 S 4.3013 7.5252 116.7299 60.0652 63.3640 174.3359 98 D 4.4480 7.9168 121.3441 53.4105 41.4315 175.3197 99 P 4.2230 0.0000 0.0000 65.4724 31.5544 178.4914 100 G 3.1585 7.9177 105.9764 47.2587 0.0000 174.0658 101 Y 3.8231 8.0176 121.6738 60.4679 39.0064 178.2583 102 T 4.0062 7.4079 117.2965 63.7247 68.7489 175.8607 *104 A 3.9586 8.1937 125.6860 52.1773 20.5122 179.9035 105 S 4.0839 7.8817 109.8377 61.3764 62.3710 176.2401 106 A 3.9358 8.2119 123.4504 54.9999 18.0366 179.3869 107 A 3.8775 7.8503 118.7902 55.5790 18.4545 179.0905 108 H 4.0003 8.3116 116.4583 59.4674 29.7125 177.2816 109 A 3.9462 8.1032 121.2756 54.7235 18.2314 178.4639 110 A 4.3602 7.7431 116.7359 51.6401 18.8466 177.6454 111 G 3.7572 7.8798 105.6558 46.4638 0.0000 173.6208 112 L 4.8059 7.7220 118.9627 51.7069 43.8477 174.9213 113 P 4.3847 0.0000 0.0000 62.8140 32.7609 175.1251 114 V 4.6335 8.2854 122.5470 61.0642 34.0103 174.5310 115 V 4.5468 8.6926 128.3289 60.2824 34.3074 172.8400 116 P 4.8989 0.0000 0.0000 62.7245 31.3181 176.0951 117 V 4.2500 9.0214 123.0011 60.3069 33.3223 173.9165 118 P 4.4393 0.0000 0.0000 63.0340 31.1937 176.5884 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 6 A 8.26 4.29 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 7 H 8.47 4.11 0.00 3.32 3.20 0.00 5.86 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 8 K 8.38 4.27 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 9 G 8.73 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 10 T 8.53 4.58 3.76 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 0.15 0.00 0.00 11 L 8.42 4.65 0.00 1.65 1.43 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.80 4.87 0.00 2.95 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 13 V 8.93 4.62 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 0.96 0.00 0.00 0.88 0.00 0.00 14 V 8.84 4.66 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 0.88 0.00 0.00 0.94 0.00 0.00 15 A 8.08 4.96 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 16 T 8.76 4.77 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 17 P 0.00 4.78 0.00 2.39 2.11 0.00 3.82 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 2.06 1.98 0.00 18 L 8.51 4.05 0.00 1.63 1.73 0.91 0.93 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 19 G 7.40 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 0.00 0.00 0.00 20 N 8.70 4.17 0.00 2.86 2.85 0.00 0.00 6.84 6.74 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 21 L 7.88 4.08 0.00 1.18 1.53 0.59 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.02 4.78 0.00 2.73 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 23 D 7.74 4.58 0.00 2.88 2.67 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 *25 T 7.63 4.17 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 1.23 0.00 0.00 26 F 8.71 3.88 0.00 3.15 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 27 R 8.21 3.81 0.00 1.95 1.90 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 28 A 7.78 3.84 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 29 V 7.51 3.09 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 0.25 0.00 0.00 0.15 0.00 0.00 30 N 7.95 3.97 0.00 1.93 2.43 0.00 0.00 7.21 6.96 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 31 T 7.36 3.59 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 0.81 0.00 0.00 32 L 7.60 4.07 0.00 1.74 1.67 0.89 0.78 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 33 R 7.95 3.90 0.00 1.74 1.96 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 34 N 7.56 4.76 0.00 2.67 2.77 0.00 0.00 7.04 7.40 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 35 A 7.00 4.22 1.38 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 0.00 0.00 36 G 8.70 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 37 A 7.72 4.86 1.22 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 38 I 8.76 4.96 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 1.17 0.64 0.93 0.00 0.00 39 A 9.16 5.36 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 40 C 8.88 4.92 0.00 3.00 3.01 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 41 E 8.94 4.19 0.00 1.97 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 2.61 2.40 0.00 42 D 7.63 4.86 0.00 2.70 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 43 T 8.21 3.94 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 44 R 7.93 3.87 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 45 R 8.19 3.92 0.00 1.96 2.15 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 46 T 8.05 3.95 4.38 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 1.24 0.00 0.00 47 S 8.46 4.14 0.00 3.99 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 48 I 7.66 3.66 2.03 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 0.95 0.88 0.00 0.00 49 L 7.90 3.89 0.00 1.75 1.90 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.18 4.11 0.00 1.76 1.91 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.30 3.88 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 52 H 8.04 3.95 0.00 3.06 3.16 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.69 4.85 0.00 3.04 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 54 G 7.89 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 55 I 8.07 4.21 2.03 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 1.30 0.86 0.92 0.00 0.00 56 E 8.55 4.61 0.00 1.93 1.84 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 2.22 2.28 0.00 57 G 8.88 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 0.00 0.00 0.00 58 K 7.77 4.05 0.00 1.72 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 59 R 8.58 4.13 0.00 1.95 1.80 0.00 3.20 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 60 L 8.56 5.15 0.00 1.57 1.57 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.99 4.38 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 1.07 0.00 0.00 0.95 0.00 0.00 62 S 8.62 5.21 0.00 3.88 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 63 Y 8.76 4.34 0.00 2.97 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 64 H 7.86 4.88 0.00 3.10 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.93 4.04 0.00 3.93 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 66 F 8.32 4.25 0.00 2.90 3.05 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 67 N 7.72 4.59 0.00 2.68 2.66 0.00 0.00 6.52 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 68 E 7.91 3.39 0.00 1.93 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 0.00 2.36 2.64 0.00 69 E 8.01 3.93 0.00 1.93 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 0.00 2.37 2.32 0.00 70 R 7.70 3.83 0.00 1.75 2.01 0.00 3.06 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 71 A 7.84 4.01 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 72 V 8.02 3.54 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 1.08 0.00 0.00 1.07 0.00 0.00 73 R 8.36 3.86 0.00 1.96 2.05 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 Q 8.16 3.97 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 75 V 7.83 3.58 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 1.07 0.00 0.00 0.96 0.00 0.00 76 I 8.03 3.68 1.86 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 1.70 0.81 0.89 0.00 0.00 77 E 8.47 3.94 0.00 2.05 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 2.32 2.45 0.00 78 L 7.98 3.96 0.00 1.97 1.80 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.11 4.14 0.00 1.85 1.66 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.27 3.98 0.00 2.05 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 2.51 2.48 0.00 81 E 7.99 4.33 0.00 2.10 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 2.49 2.46 0.00 82 G 7.99 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 83 S 7.81 4.78 0.00 3.95 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 84 D 8.71 4.82 0.00 2.77 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 85 V 8.72 4.89 2.06 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 1.11 0.00 0.00 0.93 0.00 0.00 86 A 8.85 5.20 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 87 L 9.04 4.89 0.00 1.68 1.51 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.42 4.84 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 0.75 0.00 0.00 1.02 0.00 0.00 89 T 8.55 4.92 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 1.25 0.00 0.00 90 D 8.21 4.95 0.00 2.74 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 91 A 9.04 3.97 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 92 G 8.01 3.82 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 0.00 0.00 0.00 93 T 7.02 4.69 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 1.21 0.00 0.00 94 P 0.00 4.25 0.00 2.14 1.97 0.00 3.58 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 2.08 2.06 0.00 95 A 8.67 4.06 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 96 I 7.35 2.84 1.38 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.22 0.00 0.00 97 S 7.53 4.30 0.00 4.00 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 98 D 7.92 4.45 0.00 2.71 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 99 P 0.00 4.22 0.00 2.32 2.21 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.14 0.00 100 G 7.92 3.16 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 0.00 0.00 0.00 0.00 101 Y 8.02 3.82 0.00 3.29 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 0.00 102 T 7.41 4.01 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 1.30 0.00 0.00 *104 A 8.19 3.96 0.48 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 0.00 0.00 105 S 7.88 4.08 0.00 4.04 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 0.00 106 A 8.21 3.94 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 0.00 107 A 7.85 3.88 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 0.00 108 H 8.31 4.00 0.00 3.16 3.47 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.10 3.95 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 0.00 110 A 7.74 4.36 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 0.00 111 G 7.88 3.76 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 0.00 0.00 0.00 112 L 7.72 4.81 0.00 1.59 1.52 0.88 1.22 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 0.00 113 P 0.00 4.38 0.00 1.97 2.10 0.00 3.71 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 1.95 1.88 0.00 114 V 8.29 4.63 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 0.70 0.00 0.00 0.96 0.00 0.00 115 V 8.69 4.55 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 1.18 0.00 0.00 0.82 0.00 0.00 116 P 0.00 4.90 0.00 2.15 2.07 0.00 3.80 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 2.02 1.99 0.00 117 V 9.02 4.25 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 0.91 0.00 0.00 0.98 0.00 0.00 118 P 0.00 4.44 0.00 2.09 1.99 0.00 3.77 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 2.05 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.