NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2359 8.4401 118.7813 56.1789 31.2462 174.7065 7 A 4.5335 8.1498 124.3906 48.4673 22.5777 173.5098 *9 T 4.5097 8.1145 105.4904 61.9646 71.1010 171.4666 10 V 5.0253 8.2982 119.9046 59.9455 34.8311 175.1461 11 G 4.3423 9.0396 108.8840 44.5205 0.0000 171.8540 12 V 5.1428 8.4579 123.3053 60.0373 34.7157 174.4752 13 D 4.7351 8.6970 120.4202 52.8724 44.9507 173.4868 14 L 5.0984 8.6389 127.0125 53.2313 44.9866 175.3467 15 V 4.5348 9.1768 125.5933 61.2344 34.7304 173.9576 16 H 4.3791 8.9997 127.9764 55.5697 30.3314 175.6160 17 I 3.6925 8.5534 129.4829 64.0220 36.9423 176.6000 18 P 4.3086 0.0000 0.0000 65.4538 31.1130 178.8965 19 G 3.5921 7.8239 103.9187 47.7608 0.0000 175.2340 20 F 4.0532 8.4291 123.5209 60.9865 39.1602 177.0472 21 A 3.7187 8.3186 119.6682 54.8922 18.1687 179.1443 22 E 3.9854 8.0989 116.2876 59.6511 29.8674 179.3153 23 Q 3.9650 7.9555 119.1199 58.6336 28.5406 178.6858 24 L 3.7693 7.3411 120.6679 57.1755 42.1140 178.1816 25 S 4.5959 7.3306 111.5949 57.0953 64.0519 174.3417 26 R 4.0225 7.1533 120.1647 54.9098 29.8399 174.1193 27 P 4.2882 0.0000 0.0000 64.3132 31.5565 175.5967 28 G 4.0288 9.5858 111.8562 45.7426 0.0000 173.7992 29 S 3.9476 7.8224 113.3521 59.0644 62.8400 175.1615 30 T 4.1065 8.3306 122.9879 65.7171 68.1323 176.9547 31 F 4.1009 7.6911 119.5370 59.9315 38.6283 176.8680 32 E 4.2261 8.3381 116.9747 58.2399 29.3565 177.6311 33 Q 4.6337 8.0381 116.1187 55.5647 30.2045 176.5372 34 V 3.7698 7.4020 119.9284 64.6614 31.8550 176.0196 35 F 5.2051 7.8382 118.1467 55.6735 40.4053 176.3842 36 S 4.4691 9.6862 121.0325 57.3766 64.9660 173.5238 37 P 4.2554 0.0000 0.0000 65.9879 31.0882 178.4045 38 L 3.9490 7.9768 118.0380 58.3906 42.0672 178.4663 39 E 4.0688 8.1135 117.9123 59.7916 29.2217 179.7787 40 R 3.9681 8.2049 117.3075 59.1548 30.4523 179.0337 41 R 4.0657 8.0181 115.9304 59.5032 29.5268 178.2731 42 H 4.0460 8.3610 118.8652 58.9785 29.7080 177.0523 43 A 3.8376 8.1525 122.4426 55.1941 17.9054 179.6430 44 Q 3.9338 7.7675 116.1215 58.9929 28.7789 178.4523 45 T 3.9083 7.3660 110.0157 66.3354 69.0414 174.8376 46 R 4.2173 7.4096 122.6049 55.4564 31.8740 175.4773 *61 S 4.4834 8.5333 111.7905 59.5299 65.1267 175.8485 62 R 3.8579 8.0469 120.5444 59.0517 29.8144 178.7202 63 T 3.9012 7.9444 114.4571 67.0354 68.4637 176.2814 64 E 3.8735 8.0669 119.7156 59.3283 29.4923 178.7383 65 H 4.0055 8.2735 118.3155 59.3383 30.0287 177.2669 66 L 3.7241 8.0937 120.7395 57.6679 41.3117 179.4268 67 A 2.7908 7.8806 120.7349 54.5695 18.2020 179.7536 68 G 3.6075 7.8054 104.1452 48.2391 0.0000 176.1221 69 R 4.0673 8.0155 120.7396 58.5497 30.0987 178.9559 70 W 4.4734 9.0594 128.5219 60.5354 30.7363 177.8091 71 A 4.2340 8.5357 121.9432 54.4587 17.7107 179.4212 72 A 3.9653 8.0011 119.1797 55.2409 18.5063 179.9459 73 K 4.0365 7.9777 116.8895 59.8892 32.1904 179.4723 74 E 3.7904 7.7426 118.4347 59.2010 29.2308 179.3694 75 A 3.9745 8.0967 120.9317 54.8310 18.3974 179.2360 76 F 4.1294 8.4658 119.4034 61.7274 39.4408 177.2541 77 I 3.5572 7.9736 119.1321 64.3861 36.8317 178.5854 78 K 3.8664 7.9958 118.7699 59.3905 31.8096 179.1166 79 A 4.1073 7.9865 121.0316 54.9950 18.0319 179.5082 80 W 3.9908 7.6886 125.4898 60.7810 31.0370 177.9562 81 S 4.0284 8.3255 115.4965 61.7897 62.3008 176.8536 82 Q 4.1196 8.4803 120.7479 58.8048 28.2519 178.4095 83 A 4.4058 8.0737 121.9063 53.0388 18.4817 177.8077 84 I 4.4593 7.4798 111.5745 60.1246 38.1078 174.5959 85 Y 3.9921 7.5848 121.1140 60.4905 38.6665 176.8498 86 G 3.7574 8.3008 114.2077 45.3167 0.0000 172.9442 87 K 4.6085 7.6993 118.5534 53.1070 35.0634 174.4084 88 P 4.2935 0.0000 0.0000 62.0615 31.6067 174.3843 89 P 4.0378 0.0000 0.0000 63.0532 31.8756 176.9882 90 V 3.5490 7.9841 122.4687 65.3494 31.7008 176.1015 91 I 4.3305 6.9228 119.9890 58.8875 38.8714 175.1904 92 E 3.8851 8.7095 124.6559 56.2801 29.8312 176.5506 93 P 4.1719 0.0000 0.0000 65.8201 31.5070 177.7886 94 D 4.6889 8.0555 113.6001 54.1632 39.3406 176.2712 95 L 4.6140 7.7722 118.5576 54.4843 43.0548 177.1305 96 V 3.4293 7.2652 113.4001 61.2107 31.9975 175.2865 97 N 4.6569 8.4921 123.5836 52.3545 38.8496 175.2799 98 F 4.4177 8.7603 125.0583 59.3418 39.5314 177.5929 99 A 4.3699 7.8418 122.4722 54.1542 18.3119 178.1467 100 E 4.2048 8.1742 114.9368 57.7045 29.8888 176.1821 101 I 4.5300 7.3167 120.6218 59.2769 36.6564 173.9244 102 E 4.8331 8.9049 124.2644 54.5528 32.3486 175.8648 103 V 4.4368 8.8601 123.4365 62.0302 32.3155 175.1755 104 L 4.6394 9.2560 132.9436 52.7969 43.0950 173.7535 105 P 5.2130 0.0000 0.0000 62.3864 33.0527 176.0199 106 D 4.7040 8.7428 121.8482 52.0317 41.3434 176.9821 107 R 3.6248 7.9712 118.0189 58.1321 29.8544 176.9375 108 W 4.5878 8.3471 115.9952 56.5764 29.3112 176.8020 109 G 4.0504 8.2998 107.0021 45.0137 0.0000 174.5089 110 R 4.2704 8.0614 118.8789 56.2494 31.4059 175.8492 111 V 4.9536 8.3966 114.6019 59.6166 34.7714 174.9411 112 A 4.7830 8.6947 124.8094 50.0819 22.8720 175.0061 113 L 4.5137 8.5439 121.0531 54.2208 42.9379 176.1587 114 Q 4.4300 9.2755 126.2742 54.3541 30.8236 174.2415 115 L 4.9931 8.2893 126.8295 53.8109 43.3186 176.0737 116 K 4.4700 8.7727 120.5074 54.6789 36.8577 177.9495 117 G 4.0167 8.8408 109.1124 45.0837 0.0000 175.8370 118 E 3.9549 9.0795 121.3175 58.9404 29.4163 178.4476 119 V 3.7488 8.5929 118.6410 65.9891 31.6007 177.9052 120 A 3.8015 7.7235 120.2592 55.0498 18.2740 179.3850 121 A 3.9348 7.9348 119.2887 55.4592 18.4748 180.0996 122 K 4.1248 8.4820 117.2344 59.1254 32.1471 179.5318 123 L 3.4398 7.8645 120.9075 57.9062 42.0333 178.6245 124 Q 4.1622 7.8731 120.7710 58.6218 28.7349 178.0248 125 E 3.9796 7.9719 118.2880 59.7461 29.6854 179.3486 126 S 4.4821 8.0223 112.6068 60.3181 63.5360 174.7238 127 I 4.5318 8.0364 111.7743 59.3731 38.9698 175.7304 128 G 3.8670 7.9604 107.6159 44.2617 0.0000 172.2275 129 D 4.5526 8.4089 119.5203 54.5496 41.4910 175.7935 130 V 4.8500 8.0542 114.9336 59.5473 35.9997 174.2461 131 E 4.7522 9.1615 123.1212 54.4496 32.1804 174.6048 132 L 5.3918 8.6654 125.4821 52.8839 45.0559 175.5853 133 A 4.8763 9.0509 124.2926 50.0571 22.2012 174.7457 134 L 5.3146 8.4678 122.0111 53.6239 45.7659 175.3842 135 S 4.8033 8.7055 117.1818 57.0962 66.3645 172.6882 136 I 5.2203 8.2646 124.5535 59.7877 40.8353 174.5763 137 S 4.8699 9.1056 119.4852 57.1638 66.2494 172.2277 138 H 5.4845 8.3729 118.9502 54.6849 31.5512 171.9344 139 D 4.6686 9.4951 118.1680 54.1949 45.4080 177.2163 140 G 3.8041 8.2121 113.2894 47.5068 0.0000 173.8717 141 D 4.6936 8.8212 124.3235 53.8567 41.0572 174.6520 142 Y 5.2764 8.1293 116.9893 56.1284 42.2439 174.2271 143 A 5.3736 8.9621 124.0601 50.5846 22.2839 175.4043 144 T 5.2314 9.1048 114.4296 60.5253 71.7247 172.4812 145 A 5.2383 8.7119 126.2416 50.4006 23.6037 174.7430 146 L 5.1782 8.7794 120.5804 53.3932 45.9988 174.8412 147 C 5.3294 9.2859 125.6740 57.4776 34.9865 171.9813 148 L 5.2336 9.0511 128.1173 53.1822 44.1822 174.5134 149 L 5.2028 8.8244 128.0869 53.2533 44.5134 175.2984 150 R 5.1330 8.9802 126.6578 54.9416 32.7435 173.8283 151 Y 5.1950 8.6863 122.4385 56.6389 42.0968 173.0672 152 Q 4.5438 8.7170 118.3992 54.1813 30.7843 176.1050 153 R 4.2539 8.3358 120.8777 56.4518 30.1705 175.6673 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 E 8.44 4.24 0.00 2.01 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 2.13 2.26 0.00 7 A 8.15 4.53 0.43 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 *9 T 8.11 4.51 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 1.35 0.00 0.00 10 V 8.30 5.03 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 11 G 9.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.46 5.14 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 0.75 0.00 0.00 1.00 0.00 0.00 13 D 8.70 4.74 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.64 5.10 0.00 1.66 1.55 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.18 4.53 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 0.96 0.00 0.00 1.10 0.00 0.00 16 H 9.00 4.38 0.00 3.26 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.55 3.69 1.79 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 1.40 0.24 0.89 0.00 0.00 18 P 0.00 4.31 0.00 1.99 2.02 0.00 2.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 19 G 7.82 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 F 8.43 4.05 0.00 3.04 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 21 A 8.32 3.72 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 22 E 8.10 3.99 0.00 2.23 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 2.28 2.53 0.00 23 Q 7.96 3.97 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 24 L 7.34 3.77 0.00 1.01 1.47 0.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.33 4.60 0.00 3.98 3.86 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 26 R 7.15 4.02 0.00 2.05 2.28 0.00 2.78 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 27 P 0.00 4.29 0.00 2.05 2.06 0.00 3.63 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 2.02 2.09 0.00 28 G 9.59 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.82 3.95 0.00 4.07 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 30 T 8.33 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 1.10 0.00 0.00 31 F 7.69 4.10 0.00 2.90 2.98 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 32 E 8.34 4.23 0.00 1.96 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 0.00 2.36 2.37 0.00 33 Q 8.04 4.63 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 34 V 7.40 3.77 1.69 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 0.45 0.00 0.00 35 F 7.84 5.21 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.69 4.47 0.00 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.26 0.00 2.21 2.21 0.00 3.66 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 2.16 2.22 0.00 38 L 7.98 3.95 0.00 1.73 1.86 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.11 4.07 0.00 2.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 40 R 8.20 3.97 0.00 2.00 2.02 0.00 3.26 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 41 R 8.02 4.07 0.00 2.07 2.19 0.00 2.79 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 42 H 8.36 4.05 0.00 3.29 3.39 0.00 5.79 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 43 A 8.15 3.84 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 44 Q 7.77 3.93 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 45 T 7.37 3.91 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 1.16 0.00 0.00 46 R 7.41 4.22 0.00 1.85 1.82 0.00 3.08 0.00 0.00 3.15 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 *61 S 8.53 4.48 0.00 4.01 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 62 R 8.05 3.86 0.00 1.82 1.98 0.00 3.10 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 63 T 7.94 3.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 64 E 8.07 3.87 0.00 2.04 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 2.33 2.32 0.00 65 H 8.27 4.01 0.00 3.30 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.09 3.72 0.00 1.72 1.45 0.63 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.88 2.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.81 3.61 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 69 R 8.02 4.07 0.00 2.21 2.38 0.00 3.14 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 70 W 9.06 4.47 0.00 3.61 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 71 A 8.54 4.23 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 72 A 8.00 3.97 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 73 K 7.98 4.04 0.00 1.78 2.11 0.00 1.96 0.00 0.00 1.91 0.00 0.00 3.30 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.81 1.78 7.81 74 E 7.74 3.79 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 75 A 8.10 3.97 1.48 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 76 F 8.47 4.13 0.00 3.11 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 77 I 7.97 3.56 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.93 0.86 0.00 0.00 78 K 8.00 3.87 0.00 1.96 1.83 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.62 7.81 79 A 7.99 4.11 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 80 W 7.69 3.99 0.00 2.51 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 81 S 8.33 4.03 0.00 3.94 3.79 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 0.00 0.00 0.00 82 Q 8.48 4.12 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 83 A 8.07 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.48 4.46 1.84 0.00 0.00 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 1.21 0.70 0.94 0.00 0.00 85 Y 7.58 3.99 0.00 3.12 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 86 G 8.30 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 87 K 7.70 4.61 0.00 1.78 1.65 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 88 P 0.00 4.29 0.00 2.10 2.01 0.00 3.74 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 1.94 1.96 0.00 89 P 0.00 4.04 0.00 2.05 1.84 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 90 V 7.98 3.55 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 0.97 0.00 0.00 0.94 0.00 0.00 91 I 6.92 4.33 1.73 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 0.86 0.00 0.00 92 E 8.71 3.89 0.00 1.94 1.86 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 2.36 2.27 0.00 93 P 0.00 4.17 0.00 2.18 2.11 0.00 3.55 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 2.08 2.03 0.00 94 D 8.06 4.69 0.00 2.76 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 95 L 7.77 4.61 0.00 1.70 1.68 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.27 3.43 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 0.42 0.00 0.00 0.37 0.00 0.00 97 N 8.49 4.66 0.00 2.71 2.86 0.00 0.00 7.24 7.71 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 98 F 8.76 4.42 0.00 3.21 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 99 A 7.84 4.37 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 0.00 100 E 8.17 4.20 0.00 2.23 2.19 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 2.33 2.39 0.00 101 I 7.32 4.53 2.13 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.79 0.00 0.00 102 E 8.90 4.83 0.00 2.11 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 2.34 2.24 0.00 103 V 8.86 4.44 2.15 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 0.76 0.00 0.00 1.01 0.00 0.00 104 L 9.26 4.64 0.00 1.75 1.64 0.91 0.99 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 0.00 105 P 0.00 5.21 0.00 2.02 1.96 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 106 D 8.74 4.70 0.00 3.04 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 0.00 107 R 7.97 3.62 0.00 1.20 0.66 0.00 2.77 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 108 W 8.35 4.59 0.00 3.52 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 0.00 109 G 8.30 4.05 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 0.00 0.00 0.00 110 R 8.06 4.27 0.00 2.12 1.92 0.00 3.26 0.00 0.00 3.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 111 V 8.40 4.95 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 0.80 0.00 0.00 0.96 0.00 0.00 112 A 8.69 4.78 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 0.00 113 L 8.54 4.51 0.00 1.47 1.42 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.28 4.43 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 115 L 8.29 4.99 0.00 1.39 1.37 0.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.77 4.47 0.00 1.76 1.83 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.39 7.81 117 G 8.84 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 0.00 0.00 0.00 118 E 9.08 3.95 0.00 2.11 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 2.40 2.48 0.00 119 V 8.59 3.75 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 1.00 0.00 0.00 1.10 0.00 0.00 120 A 7.72 3.80 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 0.00 121 A 7.93 3.93 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 0.00 122 K 8.48 4.12 0.00 2.16 2.22 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.71 7.81 123 L 7.86 3.44 0.00 0.81 1.49 -0.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.87 4.16 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 125 E 7.97 3.98 0.00 2.21 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 2.38 2.36 0.00 126 S 8.02 4.48 0.00 4.18 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 0.00 127 I 8.04 4.53 1.65 0.00 0.00 0.47 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 0.60 0.84 0.00 0.00 128 G 7.96 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 0.00 129 D 8.41 4.55 0.00 2.70 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 0.00 130 V 8.05 4.85 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 0.70 0.00 0.00 0.90 0.00 0.00 131 E 9.16 4.75 0.00 2.02 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 2.20 2.26 0.00 132 L 8.67 5.39 0.00 1.54 1.57 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.05 4.88 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 0.00 134 L 8.47 5.31 0.00 1.63 1.52 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.71 4.80 0.00 3.94 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 0.00 136 I 8.26 5.22 1.90 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 1.26 0.81 0.94 0.00 0.00 137 S 9.11 4.87 0.00 3.85 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 0.00 138 H 8.37 5.48 0.00 3.24 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.50 4.67 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.80 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 0.00 0.00 0.00 141 D 8.82 4.69 0.00 2.57 2.30 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 0.00 142 Y 8.13 5.28 0.00 2.99 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 0.00 143 A 8.96 5.37 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 0.00 144 T 9.10 5.23 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 0.00 145 A 8.71 5.24 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 0.00 146 L 8.78 5.18 0.00 1.68 1.47 0.94 0.96 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 0.00 147 C 9.29 5.33 0.00 3.07 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 0.00 148 L 9.05 5.23 0.00 1.79 1.52 0.99 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.82 5.20 0.00 1.72 1.56 0.84 0.74 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 0.00 150 R 8.98 5.13 0.00 1.94 1.76 0.00 3.18 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 151 Y 8.69 5.20 0.00 3.12 2.94 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 0.00 152 Q 8.72 4.54 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 153 R 8.34 4.25 0.00 1.63 1.75 0.00 3.39 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.