NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3286 8.2893 120.3515 53.7721 34.4120 175.2198 2 T 4.2943 7.6494 121.1886 59.7110 69.0804 173.7173 3 H 4.4055 9.0706 134.8357 57.6476 31.2876 176.6862 4 D 4.0245 9.2970 116.3766 56.4603 41.6261 175.9946 5 N 4.3717 7.9138 113.7908 52.9841 37.7397 175.2446 6 K 4.1685 8.6904 119.7564 58.0898 34.7870 176.5421 7 L 3.3567 7.9921 124.9666 56.9020 40.0892 174.1893 *8 Q 3.3449 8.2376 125.0871 55.2767 25.7424 175.0621 9 V 3.9281 7.6608 111.4950 61.5433 32.6829 175.3399 10 E 3.8350 8.5347 125.0304 56.2586 29.0291 174.9781 11 A 4.1847 8.0823 123.2307 51.5083 19.0943 177.7601 12 I 4.1912 7.9413 116.6246 59.6794 39.8396 176.2062 13 K 2.9127 8.1134 122.6766 58.3728 32.5813 176.8544 14 R 4.9622 8.0688 117.9877 53.2432 33.3945 174.8458 15 G 3.4068 7.3894 111.9358 45.5214 0.0000 170.0056 16 T 4.9836 7.6183 116.1459 61.6500 71.4963 173.7005 17 V 4.6007 8.4920 126.0186 61.2624 34.0497 174.1054 18 I 4.5379 8.6954 129.6580 60.0298 38.9641 174.5196 19 D 4.9833 8.2358 125.3614 52.2227 45.5849 173.9543 20 H 4.1689 8.7788 117.2402 56.9804 28.3979 174.7159 21 I 3.9716 7.5419 118.9340 59.7915 37.1812 175.6213 22 P 4.0192 0.0000 0.0000 63.8427 31.3393 176.2737 23 A 4.0789 7.9876 121.2459 54.2007 17.9996 180.0560 24 Q 3.6550 8.6258 118.2735 57.3910 28.1019 175.4293 25 I 4.2068 7.9379 118.1567 62.7329 36.6920 177.8469 26 G 3.8424 8.1411 107.3203 48.2539 0.0000 175.4696 27 F 4.0692 8.2506 123.1730 60.1554 39.3835 176.7980 28 K 3.7323 8.1592 118.9744 59.7126 32.1012 178.5361 29 L 4.1327 8.2084 119.3309 57.7898 41.5561 179.5947 30 L 3.9488 7.4364 118.0868 58.3160 41.3972 179.0894 31 S 3.9577 7.6463 115.3244 60.9365 62.4305 176.3498 32 L 3.5257 7.9624 123.3792 57.6468 41.6376 178.6709 33 F 4.2860 7.4060 113.7371 56.6525 39.3822 176.9081 34 K 4.0365 7.7968 118.5097 57.8445 29.2030 174.8874 35 L 4.1989 7.9024 119.6048 56.8738 42.3829 178.8189 36 T 4.2291 7.7467 106.7624 62.3007 69.5709 175.4790 37 E 4.3354 7.6705 123.6721 54.3098 28.0440 174.9522 38 T 4.4570 7.2114 112.6494 61.3331 70.4397 172.8449 39 D 4.6356 8.5161 125.0918 54.8755 41.6140 177.1002 40 Q 4.1991 7.3322 117.0866 54.8755 29.5850 175.6423 41 R 4.0254 8.4116 120.3771 56.9337 30.8681 175.2710 42 I 5.1368 8.3913 126.7154 59.7017 40.8691 175.1857 43 T 4.6149 8.7167 114.6777 60.3285 71.5795 172.7701 44 I 4.9532 8.6395 126.7609 59.2985 40.5233 175.3296 45 G 4.1639 8.9703 111.5136 44.5708 0.0000 171.3378 46 L 5.1758 8.4981 125.1240 53.1419 44.4725 176.3829 47 N 4.1651 8.6978 119.9601 54.3678 36.4513 174.5331 48 L 4.5080 8.1212 118.4732 53.1451 43.9407 176.0752 49 P 4.3718 0.0000 0.0000 64.0567 31.4309 176.0014 50 S 4.5555 8.7549 120.8254 56.0606 62.1155 174.5025 51 G 3.5581 8.7398 115.6309 47.4011 0.0000 171.8022 52 E 4.4212 7.6823 117.4983 57.8133 31.2316 176.4274 53 M 4.7742 7.9557 115.6733 51.7936 32.9048 174.0052 54 G 4.1600 7.9768 111.4971 43.9260 0.0000 172.9728 55 R 4.9915 8.4163 124.1638 54.4347 33.6160 172.9837 56 K 4.8316 9.2171 121.2751 56.2301 36.9446 173.7461 57 D 5.4552 8.9363 119.1991 52.8939 45.7420 174.9322 58 L 4.7686 8.2789 117.7773 54.5610 46.2231 173.2506 59 I 4.8798 8.5006 126.8922 59.3702 40.7254 174.5452 60 K 4.8762 9.1246 125.7225 54.6732 35.0508 175.0576 61 I 4.8526 8.6427 126.4631 59.4547 39.7231 175.0286 62 E 4.4085 8.9619 127.3501 55.9032 30.6574 176.1325 63 N 3.9509 8.5905 118.3099 54.2096 36.9085 175.0158 64 T 4.3413 6.7539 112.2801 61.8879 72.6035 173.4028 65 F 5.0142 8.5899 123.6729 54.7686 40.6441 174.8888 66 L 4.5295 8.4530 129.0462 53.4649 41.2537 175.2013 67 S 4.7766 8.8256 121.4349 56.2686 67.1008 176.0649 68 E 3.9145 9.0605 121.4178 57.4881 28.6777 176.8462 69 D 4.4037 8.9857 122.6235 57.5849 39.6812 178.6677 70 Q 3.9799 8.1619 120.0717 58.3366 28.5287 179.3294 71 V 3.3942 7.4801 118.4541 66.0563 31.6399 177.8550 72 D 4.6371 7.9853 119.3706 56.3982 40.4769 178.6514 73 Q 4.1544 7.6210 118.6791 58.5634 28.6360 177.9778 74 L 4.1851 7.6623 118.8999 56.3231 41.0815 178.8535 75 A 3.9500 7.8215 121.9023 55.1553 18.0827 179.3553 76 L 3.4580 7.5635 117.5547 57.3013 42.0425 177.8299 77 Y 4.5120 7.1301 114.5160 58.5163 40.3996 176.1726 78 A 4.7813 7.9934 122.4172 49.6388 18.7355 174.7862 79 P 4.1497 0.0000 0.0000 64.1796 32.3834 177.3965 80 Q 4.4908 7.3291 116.4576 56.1512 28.7380 175.4013 81 A 5.0157 7.8472 119.0254 51.3065 21.8708 176.7791 82 T 4.5793 8.2841 113.1650 60.0366 70.9896 174.4736 83 V 4.1457 8.8155 126.9846 62.4894 33.6440 174.6098 84 N 5.5260 8.6358 122.7245 51.7199 42.4091 174.5441 85 R 4.9704 8.8737 121.0800 55.7268 32.3055 175.5158 86 I 5.1186 8.7264 119.2510 60.1781 41.0318 175.7763 87 D 4.9131 8.7966 124.8560 53.9563 41.4833 176.0064 88 N 4.5078 8.2550 114.5251 53.5613 40.1393 172.8115 89 Y 3.6418 8.4614 117.3746 58.8283 37.0322 170.9645 90 E 4.6715 8.3998 117.4373 54.5415 34.0074 174.8351 91 V 3.6920 8.3669 119.4277 64.2968 31.5838 175.3994 92 V 4.1280 8.7474 127.4171 64.2922 32.8190 176.1572 93 G 4.3178 7.8064 105.2846 44.4320 0.0000 171.7808 94 K 5.0692 8.5977 122.1895 54.6643 34.9411 175.3965 95 S 4.8259 9.3169 124.0899 56.7106 66.1331 173.6000 96 R 4.8221 8.5208 124.2413 54.3319 31.5885 173.8851 97 P 4.6421 0.0000 0.0000 62.5698 32.4101 175.6392 98 S 4.7418 8.1014 117.4959 55.6885 65.4296 173.3096 99 L 3.8724 8.5372 124.5075 55.2974 42.1552 175.3279 100 P 4.7148 0.0000 0.0000 61.5345 33.8396 174.9146 101 E 4.0945 8.7089 117.5634 59.1977 29.7806 176.5412 102 R 4.9851 7.5621 115.5933 54.9056 33.8130 174.1800 103 I 4.7200 8.9049 123.8650 59.7578 40.3558 174.4388 104 D 5.3276 8.5944 125.6332 53.8836 43.0219 176.3370 105 N 4.5051 9.2398 124.5218 54.2519 37.8545 175.2075 106 V 4.0402 8.8035 117.4260 62.1084 32.1032 173.5322 107 L 5.0479 7.6434 123.2028 52.6411 42.3159 173.2768 108 V 4.5839 7.6762 121.1375 60.8296 33.2012 174.8054 109 C 4.6797 8.7999 126.6283 58.8000 31.9270 172.3830 110 P 4.2230 0.0000 0.0000 65.3981 31.2069 175.7640 111 N 4.5392 7.5222 116.7675 53.1011 38.2764 175.4552 112 S 4.2503 8.7095 121.8736 61.1566 63.1218 174.8625 113 N 4.5617 8.1107 116.9516 54.0458 39.0520 174.5976 114 C 4.2324 7.8964 118.8008 60.0997 32.2557 174.2816 115 I 3.8167 8.2479 125.7199 63.4955 38.3483 177.8546 116 S 3.8572 7.8691 114.8878 61.3918 62.7524 176.2263 117 H 4.2490 7.6694 116.1472 58.3091 28.3933 175.9997 118 A 4.5624 7.6758 118.4644 51.7010 19.2221 175.6581 119 E 4.7401 7.3553 114.4302 53.7743 33.3580 174.5034 120 P 4.5895 0.0000 0.0000 62.7961 30.4959 175.8259 121 V 4.4842 7.2341 116.3349 60.6121 34.5588 175.1017 122 S 4.8535 8.3229 116.1424 56.4513 65.2286 174.3442 123 S 4.3413 8.8296 119.9253 59.8553 64.2020 173.8097 124 S 5.1915 8.3211 117.8673 57.4039 67.3810 172.9773 125 F 5.4561 9.5085 122.6634 55.6390 42.9185 173.7675 126 A 4.8196 9.0205 124.7311 50.8802 20.6836 176.0903 127 V 4.6411 8.0298 122.5479 61.3808 33.2981 175.2774 128 R 4.4780 8.9554 127.7351 54.5747 33.4163 174.1223 129 K 4.3341 8.8763 128.3080 56.0870 31.4817 175.6122 130 R 4.0731 9.7673 127.6116 55.2647 29.0085 176.7585 131 A 3.5632 6.4820 126.0826 50.8238 15.4454 176.9695 132 N 5.2110 7.1162 129.9390 53.5300 38.1071 174.6986 133 D 4.8918 7.8660 116.0975 51.7680 42.8826 173.1773 134 I 4.8666 8.1247 118.3728 59.7009 39.7128 174.8432 135 A 5.0193 9.3543 129.4703 50.6267 21.1517 175.6757 136 L 5.2018 8.9821 121.7076 52.8631 44.8818 175.3335 137 K 5.0444 9.1405 126.1133 54.7810 34.4361 174.8377 138 C 3.9783 9.1278 128.6807 58.8007 32.1214 174.0169 139 K 3.5306 8.2300 127.8417 59.9226 31.7995 177.4597 140 Y 4.2809 7.8280 116.6047 60.2549 37.6460 176.3215 141 C 4.2818 7.9997 113.4691 58.5514 30.6067 174.3919 142 E 4.5425 8.0671 117.3987 56.9373 26.4875 173.5789 143 K 4.3360 7.3809 118.8186 55.1662 34.0981 175.2096 144 E 4.8999 8.2090 125.1527 54.9116 30.7513 174.9523 145 F 5.0785 9.1885 124.7575 55.3456 44.1026 174.4996 146 S 4.4867 8.8202 115.7191 58.3385 63.1135 175.0596 147 H 4.2115 9.1009 122.9396 58.6938 27.5399 177.8571 148 N 4.1829 7.4766 119.7509 56.2189 37.8906 177.4906 149 V 3.3322 7.7445 119.4912 65.6339 31.3138 178.1951 150 V 3.3735 7.3819 116.9863 65.4874 31.6549 177.5955 151 L 4.1260 7.8470 117.1513 57.5496 41.4437 177.2234 152 A 4.2136 7.7391 121.9598 50.5492 19.4972 176.7625 153 N 3.8219 7.4580 118.7758 53.6716 41.0244 174.8628 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 M 8.29 4.33 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.65 4.29 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 1.20 0.00 0.00 3 H 9.07 4.41 0.00 3.13 3.28 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.30 4.02 0.00 2.81 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 5 N 7.91 4.37 0.00 2.87 2.72 0.00 0.00 6.82 7.61 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 6 K 8.69 4.17 0.00 1.93 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.50 7.81 7 L 7.99 3.36 0.00 1.78 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 8.24 3.34 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 9 V 7.66 3.93 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 0.91 0.00 0.00 0.95 0.00 0.00 10 E 8.53 3.84 0.00 1.94 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 2.33 2.43 0.00 11 A 8.08 4.18 1.46 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 12 I 7.94 4.19 1.75 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 1.23 0.56 0.91 0.00 0.00 13 K 8.11 2.91 0.00 1.30 1.59 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.20 7.81 14 R 8.07 4.96 0.00 1.95 1.64 0.00 3.60 0.00 0.00 3.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.03 0.00 15 G 7.39 3.41 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 0.00 16 T 7.62 4.98 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 1.20 0.00 0.00 17 V 8.49 4.60 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 0.98 0.00 0.00 0.91 0.00 0.00 18 I 8.70 4.54 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 0.89 0.00 0.00 19 D 8.24 4.98 0.00 2.73 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 20 H 8.78 4.17 0.00 3.28 3.39 0.00 5.80 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.54 3.97 1.90 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 1.36 0.58 0.95 0.00 0.00 22 P 0.00 4.02 0.00 2.17 2.29 0.00 3.72 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 2.02 1.99 0.00 23 A 7.99 4.08 1.46 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 24 Q 8.63 3.65 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 25 I 7.94 4.21 1.93 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 1.57 0.91 1.06 0.00 0.00 26 G 8.14 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 0.00 0.00 0.00 27 F 8.25 4.07 0.00 3.17 3.15 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 28 K 8.16 3.73 0.00 1.88 1.92 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.52 7.81 29 L 8.21 4.13 0.00 1.72 1.81 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.44 3.95 0.00 1.38 1.45 0.85 0.65 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 31 S 7.65 3.96 0.00 3.76 3.63 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 32 L 7.96 3.53 0.00 0.71 0.78 0.27 0.74 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 33 F 7.41 4.29 0.00 3.10 3.10 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 34 K 7.80 4.04 0.00 1.78 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.45 7.81 35 L 7.90 4.20 0.00 1.64 1.71 0.91 0.87 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 36 T 7.75 4.23 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 1.17 0.00 0.00 37 E 7.67 4.34 0.00 1.97 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 2.26 2.26 0.00 38 T 7.21 4.46 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 1.22 0.00 0.00 39 D 8.52 4.64 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.33 4.20 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 41 R 8.41 4.03 0.00 1.91 1.89 0.00 3.15 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 42 I 8.39 5.14 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.99 0.00 0.00 43 T 8.72 4.61 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 1.21 0.00 0.00 44 I 8.64 4.95 1.91 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 1.31 0.67 0.97 0.00 0.00 45 G 8.97 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 0.00 0.00 0.00 0.00 46 L 8.50 5.18 0.00 1.51 1.58 0.96 1.22 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 47 N 8.70 4.17 0.00 2.90 2.90 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 48 L 8.12 4.51 0.00 1.60 1.59 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.08 2.12 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 50 S 8.75 4.56 0.00 3.86 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 51 G 8.74 3.56 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 52 E 7.68 4.42 0.00 1.77 1.96 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 2.24 2.18 0.00 53 M 7.96 4.77 0.00 1.74 1.82 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 2.52 2.55 0.00 54 G 7.98 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 0.00 0.00 0.00 0.00 55 R 8.42 4.99 0.00 1.79 1.78 0.00 3.24 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 56 K 9.22 4.83 0.00 1.94 1.94 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 57 D 8.94 5.46 0.00 2.56 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.77 0.00 1.72 1.46 0.99 1.14 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 59 I 8.50 4.88 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 1.24 0.71 0.90 0.00 0.00 60 K 9.12 4.88 0.00 1.73 1.65 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 61 I 8.64 4.85 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.85 0.00 0.00 62 E 8.96 4.41 0.00 1.76 1.77 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 2.22 2.21 0.00 63 N 8.59 3.95 0.00 2.67 2.80 0.00 0.00 6.73 7.55 0.00 0.00 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 T 6.75 4.34 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 1.13 0.00 0.00 65 F 8.59 5.01 0.00 3.03 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 66 L 8.45 4.53 0.00 1.56 1.60 0.91 0.86 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 67 S 8.83 4.78 0.00 3.88 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 68 E 9.06 3.91 0.00 2.17 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 69 D 8.99 4.40 0.00 2.88 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 70 Q 8.16 3.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 71 V 7.48 3.39 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 72 D 7.99 4.64 0.00 2.98 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 73 Q 7.62 4.15 0.00 1.90 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 74 L 7.66 4.19 0.00 1.68 1.65 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.82 3.95 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 76 L 7.56 3.46 0.00 1.41 0.91 0.80 0.74 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 77 Y 7.13 4.51 0.00 2.98 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 78 A 7.99 4.78 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 79 P 0.00 4.15 0.00 2.04 2.10 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 80 Q 7.33 4.49 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 81 A 7.85 5.02 1.25 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 0.00 0.00 82 T 8.28 4.58 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 1.23 0.00 0.00 83 V 8.82 4.15 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 0.92 0.00 0.00 0.91 0.00 0.00 84 N 8.64 5.53 0.00 2.59 2.67 0.00 0.00 6.86 8.45 0.00 0.00 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 R 8.87 4.97 0.00 2.20 2.34 0.00 2.97 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 86 I 8.73 5.12 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 1.30 0.69 1.02 0.00 0.00 87 D 8.80 4.91 0.00 2.77 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 88 N 8.26 4.51 0.00 2.79 2.86 0.00 0.00 7.38 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 89 Y 8.46 3.64 0.00 3.13 3.04 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 90 E 8.40 4.67 0.00 1.94 1.85 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 2.34 2.44 0.00 91 V 8.37 3.69 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 0.81 0.00 0.00 0.95 0.00 0.00 92 V 8.75 4.13 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 0.74 0.00 0.00 0.96 0.00 0.00 93 G 7.81 4.32 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 0.00 94 K 8.60 5.07 0.00 1.72 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.69 7.81 95 S 9.32 4.83 0.00 3.73 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 96 R 8.52 4.82 0.00 1.80 1.81 0.00 3.34 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 97 P 0.00 4.64 0.00 2.10 2.20 0.00 3.98 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 1.98 1.95 0.00 98 S 8.10 4.74 0.00 4.14 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 99 L 8.54 3.87 0.00 1.58 1.63 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.71 0.00 2.24 2.09 0.00 3.82 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 2.07 1.98 0.00 101 E 8.71 4.09 0.00 2.08 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 0.00 102 R 7.56 4.99 0.00 1.83 1.76 0.00 3.22 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 103 I 8.90 4.72 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 1.32 0.64 1.10 0.00 0.00 104 D 8.59 5.33 0.00 2.71 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 0.00 105 N 9.24 4.51 0.00 2.86 2.97 0.00 0.00 6.81 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 0.00 106 V 8.80 4.04 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 0.55 0.00 0.00 0.65 0.00 0.00 107 L 7.64 5.05 0.00 1.97 1.75 0.68 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.68 4.58 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 0.95 0.00 0.00 0.97 0.00 0.00 109 C 8.80 4.68 0.00 3.03 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 0.00 110 P 0.00 4.22 0.00 0.79 1.72 0.00 3.07 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 111 N 7.52 4.54 0.00 3.19 2.86 0.00 0.00 6.87 7.51 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 0.00 112 S 8.71 4.25 0.00 4.03 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 0.00 113 N 8.11 4.56 0.00 2.75 2.99 0.00 0.00 7.13 7.43 0.00 0.00 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 C 7.90 4.23 0.00 3.08 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.25 3.82 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.68 0.00 0.00 116 S 7.87 3.86 0.00 3.88 3.78 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 0.00 117 H 7.67 4.25 0.00 3.29 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.68 4.56 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 0.00 119 E 7.36 4.74 0.00 1.87 1.75 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 2.25 2.24 0.00 120 P 0.00 4.59 0.00 2.16 2.09 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 121 V 7.23 4.48 1.90 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 0.57 0.00 0.00 0.89 0.00 0.00 122 S 8.32 4.85 0.00 3.79 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 0.00 123 S 8.83 4.34 0.00 3.95 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 0.00 124 S 8.32 5.19 0.00 3.59 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 0.00 125 F 9.51 5.46 0.00 2.92 2.84 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 0.00 126 A 9.02 4.82 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 0.00 127 V 8.03 4.64 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 0.75 0.00 0.00 0.98 0.00 0.00 128 R 8.96 4.48 0.00 1.87 1.71 0.00 3.14 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 129 K 8.88 4.33 0.00 1.80 1.73 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.36 7.81 130 R 9.77 4.07 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 131 A 6.48 3.56 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 0.00 132 N 7.12 5.21 0.00 3.00 2.95 0.00 0.00 6.99 8.06 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 0.00 133 D 7.87 4.89 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.12 4.87 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.86 0.00 0.00 135 A 9.35 5.02 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 0.00 136 L 8.98 5.20 0.00 1.55 1.58 0.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.14 5.04 0.00 1.87 1.72 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 138 C 9.13 3.98 0.00 3.01 2.82 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 0.00 139 K 8.23 3.53 0.00 1.66 1.25 0.00 1.53 0.00 0.00 0.75 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.85 1.15 7.81 140 Y 7.83 4.28 0.00 2.98 2.89 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 0.00 141 C 8.00 4.28 0.00 3.16 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 0.00 142 E 8.07 4.54 0.00 2.14 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 0.00 2.16 2.24 0.00 143 K 7.38 4.34 0.00 1.98 1.24 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.35 7.81 144 E 8.21 4.90 0.00 1.89 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 0.00 2.19 2.33 0.00 145 F 9.19 5.08 0.00 2.99 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 0.00 146 S 8.82 4.49 0.00 3.88 3.77 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 0.00 147 H 9.10 4.21 0.00 3.31 3.59 0.00 5.32 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.48 4.18 0.00 2.62 2.82 0.00 0.00 6.49 7.53 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 0.00 149 V 7.74 3.33 2.24 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 0.97 0.00 0.00 0.97 0.00 0.00 150 V 7.38 3.37 1.97 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 0.51 0.00 0.00 0.80 0.00 0.00 151 L 7.85 4.13 0.00 1.69 1.72 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.74 4.21 1.16 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 0.00 153 N 7.46 3.82 0.00 2.61 2.73 0.00 0.00 7.22 7.44 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 * Residues marked with a * may have inaccurate shift predictions.