NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9107 8.2085 109.7400 45.1217 0.0000 174.2876 10 A 3.8307 8.5432 119.9639 54.9763 18.0853 178.4454 11 R 4.4393 8.1124 117.7204 58.7730 30.6751 177.0168 12 E 3.9817 8.2110 118.6893 59.5033 29.6148 179.0076 13 R 3.9592 8.1001 117.9656 59.5606 30.1262 179.2069 14 T 3.7270 8.2252 115.8327 66.4582 68.3999 176.6669 15 R 3.8947 8.2387 120.6797 59.5555 30.1288 178.7695 16 R 3.8764 8.1330 117.5852 59.1311 29.9895 178.7871 17 A 3.9650 8.1934 120.7439 55.2938 18.2774 179.8276 18 I 3.5855 7.6943 118.1332 64.4803 37.1320 178.7285 19 L 3.8662 7.9771 119.8120 57.8970 41.3014 179.3559 20 D 4.3056 8.5228 119.0689 57.2691 40.6381 178.7383 21 A 3.9395 8.2569 121.2930 54.9018 18.3090 179.5661 22 A 3.7869 8.0936 119.6004 55.5591 18.2207 179.6889 23 M 3.8755 7.9157 116.2810 58.2957 31.7725 178.5490 24 L 4.0686 7.5901 120.4707 57.9794 42.3813 179.1369 25 V 3.4266 7.8647 118.3734 66.0892 30.5804 178.0531 26 L 4.0228 7.9404 118.1958 57.1316 41.0965 179.0816 27 A 4.1136 7.2738 119.5978 54.0430 18.3308 177.5567 28 D 4.8336 7.4587 114.7064 54.3937 43.4349 176.3802 29 H 4.8937 8.1976 116.0861 53.2270 29.5449 172.0735 30 P 4.4607 0.0000 0.0000 64.9264 31.8065 177.5290 31 T 4.4461 7.8321 106.1849 60.9370 69.0336 174.4984 32 A 3.9548 7.9350 125.4052 52.6461 18.9888 178.7793 33 A 4.2372 8.3720 123.8716 51.5251 20.5375 178.3989 34 L 3.9795 8.5757 122.9900 58.4292 42.1223 179.9210 35 G 3.5516 8.0364 105.0494 47.6401 0.0000 175.0794 36 D 4.3204 7.8763 119.8956 57.2415 41.4840 178.1951 37 I 3.6461 7.8303 120.2301 64.0202 37.0355 178.0643 38 A 3.9067 8.1615 121.7191 55.2339 18.2358 179.3225 39 A 3.8917 7.9337 118.8063 55.5177 18.2485 179.7881 40 A 3.9888 7.8213 117.1090 54.4409 18.4874 178.7373 41 A 4.3441 7.6393 117.1488 51.8000 19.2559 177.9347 42 G 3.8173 7.8665 105.1554 45.9055 0.0000 173.7946 43 V 4.4884 7.4860 111.1856 58.2747 35.2648 176.5995 44 G 3.8189 8.2419 107.9505 44.3034 0.0000 174.7051 45 R 3.8354 8.5443 121.5879 59.3701 29.7903 178.7661 46 S 4.1645 8.0202 111.3152 61.8473 62.8358 175.9111 47 T 4.0962 7.7696 117.7789 66.7216 68.3182 176.6704 48 V 3.6637 7.9753 120.1867 66.4211 31.4259 177.7447 49 H 5.2135 8.0948 116.5005 57.9512 28.3146 177.4788 50 R 4.1718 7.8698 118.3268 57.9739 30.3446 177.4363 51 Y 4.2073 7.8813 116.0360 58.1963 39.0743 174.5840 52 Y 4.6395 8.4325 119.5361 55.4471 40.1049 174.2410 53 P 4.5815 0.0000 0.0000 64.1232 32.0127 176.9934 54 E 4.8530 8.4717 116.0720 53.4430 33.5611 176.3953 55 R 3.8847 8.8393 120.9442 60.2929 29.9772 178.6637 56 T 3.8749 8.0095 111.9702 65.3911 67.2098 175.5115 57 D 4.4295 8.1332 120.9791 57.0959 40.8310 178.4265 58 L 3.2330 7.7509 120.5117 57.7457 42.1295 178.8141 59 L 4.0427 7.8994 118.9745 57.8425 41.4914 179.7712 60 R 3.9268 8.0317 117.7037 59.2169 29.9674 178.8232 61 A 3.9569 7.9354 120.5701 55.1925 18.2918 179.4756 62 L 3.8489 8.3710 118.8954 58.0693 42.1145 179.0801 63 A 4.1183 8.1033 120.7303 55.2723 18.3113 179.4379 64 R 3.8164 8.1426 117.0210 59.9592 30.0763 178.6579 65 H 4.2149 8.4700 117.6909 59.3229 29.7873 177.4224 66 V 3.5250 8.2998 120.4949 66.2408 31.3821 177.3952 67 H 3.9619 8.4913 118.0700 59.2645 29.6719 176.8208 68 D 4.4103 8.5807 120.9576 57.5888 40.6946 178.9245 69 L 4.0023 8.0998 119.4625 57.6266 41.5594 179.5122 70 S 4.1709 8.3337 113.4024 61.5256 62.4348 175.9748 71 N 4.2985 8.1686 118.8568 56.3842 38.2568 177.3214 72 A 4.0246 8.1781 121.8799 54.9937 18.3145 179.6040 73 A 3.9623 8.2575 119.5125 55.3318 18.2432 179.8918 74 I 3.6601 7.6316 117.4567 64.4081 37.5692 177.9741 75 E 4.0542 8.0424 119.6841 59.3495 29.3319 178.9195 76 R 4.0003 8.0445 117.0067 58.7341 30.1606 177.3252 77 A 4.2145 7.5510 118.1565 51.3957 19.9975 176.9130 78 D 4.2803 7.9466 117.0079 55.0929 38.6566 173.3210 79 P 4.3639 0.0000 0.0000 64.5333 31.9963 177.7873 80 T 4.4552 7.7012 106.4534 61.1342 69.4161 173.9219 81 S 4.3363 8.2346 119.8386 58.7949 63.7032 175.6102 82 G 3.8292 8.5230 114.9726 44.1995 0.0000 171.0686 83 P 4.2119 0.0000 0.0000 63.4769 32.6895 177.8420 84 V 3.7222 8.4413 115.3179 64.0691 31.4805 178.6683 85 D 4.2773 8.0180 118.6320 56.5659 39.5165 178.3974 86 A 3.9443 7.9829 122.0467 54.3853 18.3944 179.3397 87 A 3.9178 8.0874 119.4504 55.1866 18.4061 179.5374 88 L 3.8634 8.0878 119.0447 58.2483 42.0547 179.0499 89 R 3.8447 8.1809 118.7288 59.6645 29.9052 178.6601 90 R 4.1585 8.0149 119.0324 58.6277 30.0004 179.2780 91 V 3.5382 7.8325 118.0531 65.8704 31.5398 178.0723 92 V 3.5918 7.9863 118.1789 66.1867 31.3635 177.6964 93 E 3.9440 8.3675 118.5197 59.5219 29.1225 179.4208 94 S 4.2670 8.0976 113.0884 61.8238 63.2530 176.2793 95 Q 4.3456 8.2148 121.4211 58.2755 28.6196 177.9989 96 L 3.9721 8.3885 121.9382 58.2719 41.8999 178.3876 97 D 4.6524 8.2209 116.7175 55.9873 40.8465 178.0667 98 L 4.1965 7.7837 119.5272 55.2104 42.1108 177.8820 99 G 3.9837 8.3645 105.9755 44.4423 0.0000 172.0827 100 P 4.1629 0.0000 0.0000 64.1175 31.1773 177.8961 101 I 3.7015 7.5188 118.9203 63.9299 37.8581 177.4364 102 V 3.5758 7.2499 118.8867 65.8687 30.9746 177.8812 103 L 4.2494 7.4457 117.9646 57.5966 41.4526 178.9223 104 F 4.2553 8.0532 120.1261 60.8362 39.8352 177.0174 105 V 4.1980 7.8225 109.9704 61.9455 31.8033 177.2845 106 Y 4.0230 7.9311 120.0613 60.5501 38.7410 176.3583 107 Y 4.5230 7.9677 117.6115 57.2450 39.3456 176.2183 108 E 3.7718 8.0118 121.1741 59.1686 29.5013 177.0371 109 P 3.9340 0.0000 0.0000 65.4109 31.3331 178.8130 110 S 3.7563 7.2320 113.3268 61.4873 62.5452 176.3569 111 I 3.6476 7.2535 121.3747 64.1069 36.9672 177.5629 112 L 4.2415 7.9115 116.2292 53.2008 42.9101 176.2757 113 A 3.6016 7.4203 121.5013 53.6609 16.5100 178.8144 114 D 4.7104 8.1072 121.4540 50.7047 41.9309 174.0226 115 P 4.2073 0.0000 0.0000 64.9592 31.4845 177.5458 116 E 3.8839 8.0904 117.8759 59.1619 29.5895 178.4881 117 L 3.8370 8.1083 120.2407 57.6887 42.0092 178.6835 118 A 3.7231 7.7374 120.7578 55.0210 18.0672 179.4662 119 A 4.1182 7.9625 118.3706 55.3305 18.6391 178.9117 120 Y 4.0498 8.0209 118.0603 61.0407 38.7166 178.4470 121 F 3.9836 8.3320 117.3318 60.4921 39.2125 177.0311 122 D 4.9245 7.8617 119.7292 55.5462 40.3604 176.6290 123 I 4.0440 7.0266 120.7575 62.6780 36.8607 176.3752 124 G 3.9824 9.0645 114.6007 45.2291 0.0000 173.7157 125 D 4.6905 8.2476 118.7593 54.4712 40.0566 177.5751 126 E 4.3213 8.0158 119.1727 57.5385 29.8653 177.7458 127 A 3.9584 7.6109 121.1716 55.1322 18.3693 179.2137 128 I 3.2923 7.6868 116.5474 64.2276 37.9265 177.9598 129 V 3.5155 7.6555 118.3527 66.0823 31.3942 177.6337 130 E 3.9728 8.2010 118.2569 59.4520 29.0719 179.5455 131 V 3.5636 7.6819 117.3104 65.8297 31.8185 177.8909 132 L 4.1135 7.9790 118.9071 57.9646 41.6049 179.2533 133 N 4.4245 8.6226 116.8223 56.1014 38.2506 177.1008 134 R 4.1327 8.1160 118.3071 57.6818 30.2688 176.5376 135 A 4.6313 7.5587 119.4870 51.9463 19.6352 175.8039 136 S 4.7943 7.6290 111.1639 56.9585 64.6306 174.2452 137 T 4.1671 8.6394 118.3743 63.2282 69.3549 173.9109 138 E 4.8568 7.7901 121.9746 55.7172 33.6954 179.9301 139 R 4.9049 8.0439 116.2397 57.2266 32.9942 170.6903 *142 Y 4.7019 8.3824 112.0635 58.8202 39.2853 173.9663 143 P 4.4323 0.0000 0.0000 61.8917 31.9996 173.8286 144 P 4.4104 0.0000 0.0000 64.6472 31.5599 177.1886 145 G 4.0793 9.1667 111.1758 45.5485 0.0000 174.8040 146 W 4.2222 8.4541 129.6725 60.5869 30.6744 177.6754 147 A 3.8287 8.1126 120.1993 54.9546 17.8612 179.3793 148 R 3.8751 7.9570 116.6861 59.8279 30.3456 178.8266 149 R 4.0761 8.1540 117.9278 59.2571 29.9398 179.3301 150 V 3.2070 7.5491 118.2660 65.5085 31.4013 177.7026 151 F 3.7218 8.1276 120.5092 61.2822 39.1797 177.3008 152 W 4.1286 8.2679 118.0468 59.3784 28.8237 178.5752 153 A 3.8631 8.0644 121.0847 54.9997 17.8086 179.6914 154 L 3.7642 8.0152 117.9582 57.9871 41.6111 179.5587 155 M 3.5172 7.5784 118.6900 58.3852 31.8346 178.8778 156 Q 4.2780 8.0352 117.8542 58.6458 28.7823 178.3442 157 A 4.0650 8.0724 122.2388 54.9517 18.3056 179.9031 158 G 3.2911 7.7580 104.1258 48.2246 0.0000 175.6018 159 Y 4.3101 7.4472 119.5313 60.6504 37.9298 178.6616 160 E 3.9874 8.4270 119.4143 59.4012 29.6372 179.1405 161 A 4.0037 8.2705 120.7901 55.1137 18.4525 179.6016 162 A 4.1352 7.9954 119.3817 55.2793 18.2669 180.0495 163 K 4.0693 8.0219 116.0274 59.0800 32.0520 178.1451 164 D 4.8294 7.6054 117.3073 53.9279 40.9614 177.3105 165 G 3.9066 7.7797 106.9669 45.5519 0.0000 173.8870 166 M 4.1899 7.8107 119.7106 54.2647 32.9879 174.9788 167 P 4.4233 0.0000 0.0000 61.9675 33.5269 177.0582 168 R 3.8313 8.6866 122.3454 60.3237 29.9264 178.1958 169 H 4.0789 8.2526 117.0282 59.3897 29.8000 176.7943 170 Q 3.9746 8.0154 120.8829 59.0611 28.8978 177.9284 171 I 3.6373 7.7508 121.0326 64.1846 37.0085 178.6085 172 V 3.4436 7.7695 119.0176 66.0908 31.3566 177.6453 173 D 4.2672 7.9515 118.4095 57.4272 40.6177 178.9427 174 A 3.9195 7.9426 121.0377 55.0887 18.3826 179.6831 175 I 3.4878 7.8477 118.6059 64.7713 37.1081 178.4983 176 M 3.9966 8.1705 119.6633 58.8439 31.7884 179.0697 177 T 3.8970 8.0588 115.8388 66.6605 68.4726 177.0350 178 S 4.1199 8.4704 117.5742 61.5829 62.5989 176.7698 179 L 4.0100 7.9733 121.1106 57.2266 41.4844 178.6853 180 T 4.5081 7.5194 106.7263 61.9733 69.6196 175.4147 181 S 4.5194 8.2443 112.3295 57.5932 67.4265 175.9457 182 G 3.9257 7.8691 110.0511 45.1515 0.0000 172.8013 183 I 4.5345 8.3255 108.9681 59.8627 39.1979 174.5038 184 I 4.6977 7.6233 112.3754 59.0652 40.5847 174.3796 185 T 4.5913 8.2360 115.9450 61.8275 71.4792 174.3917 186 L 4.3225 8.5955 125.0020 54.8559 42.0064 176.2710 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 9 G 8.21 3.91 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 0.00 0.00 0.00 10 A 8.54 3.83 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 11 R 8.11 4.44 0.00 1.90 2.04 0.00 3.37 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 12 E 8.21 3.98 0.00 2.06 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 0.00 2.41 2.45 0.00 13 R 8.10 3.96 0.00 2.17 1.96 0.00 3.19 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 1.66 1.68 0.00 14 T 8.23 3.73 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 0.55 0.00 0.00 15 R 8.24 3.89 0.00 2.22 2.19 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 16 R 8.13 3.88 0.00 2.01 1.96 0.00 3.29 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 1.67 1.81 0.00 17 A 8.19 3.96 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 18 I 7.69 3.59 2.03 0.00 0.00 0.52 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 0.59 0.91 0.00 0.00 19 L 7.98 3.87 0.00 1.71 1.57 0.85 0.82 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 20 D 8.52 4.31 0.00 2.82 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 21 A 8.26 3.94 1.35 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 0.00 0.00 22 A 8.09 3.79 1.24 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 0.00 0.00 23 M 7.92 3.88 0.00 1.96 2.25 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 2.77 2.53 0.00 24 L 7.59 4.07 0.00 1.68 1.74 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.86 3.43 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 0.96 0.00 0.00 0.90 0.00 0.00 26 L 7.94 4.02 0.00 1.22 0.53 0.50 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.27 4.11 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 28 D 7.46 4.83 0.00 2.77 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 29 H 8.20 4.89 0.00 3.31 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.46 0.00 2.19 2.46 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 31 T 7.83 4.45 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 32 A 7.94 3.95 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 33 A 8.37 4.24 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 34 L 8.58 3.98 0.00 1.78 1.71 0.91 1.02 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 35 G 8.04 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.88 4.32 0.00 2.69 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 I 7.83 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.82 0.00 0.00 38 A 8.16 3.91 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 39 A 7.93 3.89 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 40 A 7.82 3.99 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 41 A 7.64 4.34 1.35 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 0.00 0.00 42 G 7.87 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 43 V 7.49 4.49 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 0.64 0.00 0.00 0.85 0.00 0.00 44 G 8.24 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 45 R 8.54 3.84 0.00 1.88 1.97 0.00 3.22 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 46 S 8.02 4.16 0.00 3.93 3.91 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 47 T 7.77 4.10 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 1.24 0.00 0.00 48 V 7.98 3.66 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 1.10 0.00 0.00 0.92 0.00 0.00 49 H 8.09 5.21 0.00 3.47 3.35 0.00 5.69 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 50 R 7.87 4.17 0.00 2.09 1.89 0.00 3.14 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 51 Y 7.88 4.21 0.00 2.90 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 0.00 0.00 0.00 0.00 52 Y 8.43 4.64 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 53 P 0.00 4.58 0.00 2.07 2.13 0.00 3.94 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 54 E 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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 63 A 8.10 4.12 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.14 3.82 0.00 1.85 1.63 0.00 2.24 0.00 0.00 2.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.44 0.00 65 H 8.47 4.21 0.00 3.32 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.30 3.53 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 0.99 0.00 0.00 0.99 0.00 0.00 67 H 8.49 3.96 0.00 3.00 3.69 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.58 4.41 0.00 3.02 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 69 L 8.10 4.00 0.00 1.82 1.71 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.33 4.17 0.00 3.94 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 71 N 8.17 4.30 0.00 2.88 2.81 0.00 0.00 6.97 7.26 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 72 A 8.18 4.02 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 73 A 8.26 3.96 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.63 3.66 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.87 0.00 0.00 75 E 8.04 4.05 0.00 2.15 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 2.31 2.31 0.00 76 R 8.04 4.00 0.00 1.99 2.11 0.00 3.32 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 77 A 7.55 4.21 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 78 D 7.95 4.28 0.00 2.82 2.64 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 79 P 0.00 4.36 0.00 2.01 2.07 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 80 T 7.70 4.46 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 1.20 0.00 0.00 81 S 8.23 4.34 0.00 3.95 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 82 G 8.52 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 83 P 0.00 4.21 0.00 2.21 2.02 0.00 3.60 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 2.12 2.20 0.00 84 V 8.44 3.72 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 0.89 0.00 0.00 0.93 0.00 0.00 85 D 8.02 4.28 0.00 2.86 2.92 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 86 A 7.98 3.94 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 A 8.09 3.92 1.40 0.00 0.00 0.00 0.00 0.00 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0.00 -0.08 0.71 0.85 0.00 0.00 129 V 7.66 3.52 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 1.06 0.00 0.00 1.00 0.00 0.00 130 E 8.20 3.97 0.00 2.17 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 0.00 2.55 2.45 0.00 131 V 7.68 3.56 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 0.89 0.00 0.00 132 L 7.98 4.11 0.00 1.82 1.69 0.81 0.75 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 0.00 133 N 8.62 4.42 0.00 2.83 2.88 0.00 0.00 6.72 7.60 0.00 0.00 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 R 8.12 4.13 0.00 1.93 2.16 0.00 3.20 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 135 A 7.56 4.63 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 0.00 136 S 7.63 4.79 0.00 3.94 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 0.00 137 T 8.64 4.17 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 1.22 0.00 0.00 138 E 7.79 4.86 0.00 1.69 1.76 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 2.14 2.09 0.00 139 R 8.04 4.90 0.00 1.55 1.74 0.00 3.26 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 *142 Y 8.38 4.70 0.00 3.04 3.02 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 0.00 143 P 0.00 4.43 0.00 2.29 2.19 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 144 P 0.00 4.41 0.00 2.14 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 145 G 9.17 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 0.00 146 W 8.45 4.22 0.00 3.55 3.13 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 0.00 147 A 8.11 3.83 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 0.00 148 R 7.96 3.88 0.00 1.97 2.19 0.00 3.42 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 149 R 8.15 4.08 0.00 1.90 1.79 0.00 3.43 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 150 V 7.55 3.21 1.61 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 0.82 0.00 0.00 -0.26 0.00 0.00 151 F 8.13 3.72 0.00 3.08 2.97 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 0.00 0.00 0.00 0.00 152 W 8.27 4.13 0.00 3.60 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 0.00 153 A 8.06 3.86 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 0.00 154 L 8.02 3.76 0.00 1.42 1.41 0.75 0.64 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 0.00 155 M 7.58 3.52 0.00 1.72 2.09 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.00 156 Q 8.04 4.28 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 157 A 8.07 4.06 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 0.00 158 G 7.76 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 0.00 0.00 0.00 159 Y 7.45 4.31 0.00 3.05 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 0.00 160 E 8.43 3.99 0.00 2.13 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 2.58 2.46 0.00 161 A 8.27 4.00 1.35 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 0.00 0.00 162 A 8.00 4.14 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 163 K 8.02 4.07 0.00 1.90 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.80 7.81 164 D 7.61 4.83 0.00 2.81 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 0.00 165 G 7.78 3.91 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 0.00 0.00 0.00 166 M 7.81 4.19 0.00 2.01 2.00 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 2.69 2.49 0.00 167 P 0.00 4.42 0.00 2.20 1.95 0.00 3.89 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 2.11 2.13 0.00 168 R 8.69 3.83 0.00 1.88 1.96 0.00 3.20 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 169 H 8.25 4.08 0.00 3.22 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.02 3.97 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 171 I 7.75 3.64 1.94 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 1.35 0.65 0.77 0.00 0.00 172 V 7.77 3.44 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 1.04 0.00 0.00 0.86 0.00 0.00 173 D 7.95 4.27 0.00 2.83 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 0.00 174 A 7.94 3.92 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 0.00 175 I 7.85 3.49 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.61 0.00 0.00 176 M 8.17 4.00 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 177 T 8.06 3.90 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 0.00 178 S 8.47 4.12 0.00 3.90 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 0.00 179 L 7.97 4.01 0.00 1.75 1.74 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.52 4.51 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 0.00 181 S 8.24 4.52 0.00 3.97 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 0.00 182 G 7.87 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 0.00 183 I 8.33 4.53 1.87 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 1.48 0.78 0.90 0.00 0.00 184 I 7.62 4.70 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.92 0.00 0.00 185 T 8.24 4.59 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 0.00 186 L 8.60 4.32 0.00 1.61 1.55 0.93 0.89 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 * Residues marked with a * may have inaccurate shift predictions.