NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5051 8.2233 120.2132 54.0745 42.3847 174.9162 *7 K 4.2285 8.4915 115.6922 56.4272 34.1684 176.6387 8 A 4.1857 7.8268 121.7417 50.8550 19.1175 175.0601 9 P 4.6942 0.0000 0.0000 62.5362 32.1209 177.5558 10 I 3.7266 8.8176 121.8774 63.5577 38.0096 177.9138 11 K 4.0606 7.7302 118.7096 59.1570 32.3170 178.2123 12 V 3.7089 7.3017 112.1409 62.6655 32.1969 176.0999 13 Y 4.7024 7.2269 118.4395 57.3436 37.8947 174.7750 *15 T 4.1627 7.3597 113.8338 62.1696 68.7140 173.6962 16 K 4.3371 8.3327 122.3169 57.0154 33.1470 178.1015 17 K 4.1587 7.9209 121.3679 56.2662 29.2674 174.3961 18 L 4.5537 7.5958 120.1259 52.7607 44.0234 175.1701 19 L 4.5090 8.2034 126.4225 53.5000 43.6386 176.1265 20 G 4.9952 8.4713 108.3189 43.7356 0.0000 172.0709 21 V 4.7734 8.0086 112.5220 59.1232 36.6171 175.3267 22 K 4.8121 8.2904 121.5702 54.6559 33.4359 176.7899 23 P 4.3072 0.0000 0.0000 65.6774 31.3704 178.6895 24 S 4.4339 7.9406 110.3339 59.4423 63.7277 174.5683 25 T 3.9439 7.7225 120.3117 63.8201 68.8069 173.9494 26 S 4.7921 8.4644 120.9929 57.8428 65.4840 175.3859 27 V 3.4531 8.3876 123.2555 66.3375 31.3082 178.4023 28 Q 3.9356 8.0647 119.1342 59.0960 28.8583 177.9093 29 E 3.9385 8.2079 119.9725 59.2512 29.5172 178.4854 30 A 4.0716 8.1750 120.0259 55.3964 18.4974 179.4290 31 S 4.2485 8.1335 112.8814 61.7291 62.9736 176.6529 32 R 4.0998 7.6197 119.9103 58.6055 31.4985 177.6140 33 L 4.2862 7.9055 121.8264 55.3819 38.1374 176.2466 *36 E 4.0107 7.8469 122.4772 55.7381 31.5286 176.3575 37 F 4.5012 8.1835 113.6283 56.4762 39.2216 175.1569 38 D 4.4042 8.0201 118.4858 55.7843 39.3043 173.5066 39 V 4.5140 7.7151 109.0865 59.5545 35.2186 176.5322 40 G 3.9453 8.5598 110.6339 46.2060 0.0000 172.8043 41 S 4.7428 7.2928 112.9071 57.1964 66.5839 173.0915 42 L 4.5161 7.4644 118.2729 53.4362 46.2028 175.9161 43 V 4.7148 8.1695 115.1094 60.0556 34.5549 174.8863 44 V 4.9225 8.5645 122.7406 61.3050 34.0990 174.3142 45 I 5.1053 8.4802 128.4883 59.4779 40.2277 175.7993 46 N 4.7326 8.9417 124.5000 51.8092 38.6047 175.5564 47 D 4.4325 8.5445 117.1338 56.7383 40.7890 177.1193 48 D 4.5838 8.7280 118.3136 53.9875 41.0881 177.1719 49 G 3.9103 8.4126 107.6054 45.5930 0.0000 173.1245 50 N 4.9500 7.9298 116.1030 50.6910 40.9220 174.3597 51 V 4.1435 8.2720 121.2804 63.3105 31.9041 176.0388 52 V 4.3685 8.8188 120.0372 61.5152 33.6839 175.1575 53 G 4.2318 7.7339 106.2273 46.3510 0.0000 171.5927 54 F 5.3671 8.6705 119.6943 57.5208 42.7833 173.3038 55 F 4.9831 7.2501 117.8128 56.4320 41.4640 173.2794 56 T 4.7201 9.8309 111.8201 59.5051 71.5107 175.3351 57 K 4.0294 8.3562 119.7323 59.5268 31.7200 179.6325 58 S 4.1021 8.0489 113.1190 61.5008 62.3777 175.7452 59 D 4.3701 8.0643 121.5538 57.5052 40.4219 178.8541 60 I 3.6936 7.4755 120.3822 64.2524 37.0581 178.6785 61 I 3.6786 7.5938 120.6514 64.4617 36.8134 178.5346 62 R 3.9477 8.0292 118.2593 58.6606 30.0463 177.6767 63 R 4.4435 8.3188 115.2221 56.4103 30.8669 175.9929 64 V 4.2144 7.3310 116.1006 64.1687 34.0246 177.0885 65 I 3.6372 7.8785 119.9695 64.6072 37.4455 178.9062 66 V 3.6078 7.6460 118.1050 65.6373 31.2962 175.6536 67 P 4.3055 0.0000 0.0000 63.2303 31.5459 176.0543 68 G 3.8168 7.4124 105.6821 46.4878 0.0000 173.8008 69 L 4.5435 7.6780 117.7363 52.2905 43.6526 175.7669 70 P 4.4342 0.0000 0.0000 63.4482 31.9929 177.0320 71 Y 4.5727 8.6595 117.6632 59.2727 38.2408 176.4470 72 D 4.7895 7.9361 118.5332 52.9289 40.4819 176.7955 73 I 3.8885 7.2556 114.0840 59.9848 38.3861 173.7260 74 P 4.7160 0.0000 0.0000 62.5781 31.9732 177.7578 75 V 3.3336 8.5974 115.8850 63.9502 31.7226 178.0721 76 E 3.9159 7.5024 118.9082 59.0983 29.4317 177.9648 77 R 4.1534 8.0787 116.6014 57.4072 30.8607 176.4661 78 I 4.4263 7.2518 110.8177 58.9956 37.2578 175.0970 *80 T 4.1996 7.3726 112.3123 62.5566 70.1894 175.3593 81 R 5.0243 8.4478 123.0624 55.4239 30.8955 175.7240 82 N 5.0011 7.9544 112.8549 51.6282 40.0814 173.3230 83 L 4.5265 8.2400 119.6941 53.0455 44.3958 175.7942 84 I 4.4306 7.7940 122.2549 59.9708 39.1827 174.8199 85 T 5.4216 8.5781 115.8950 58.8787 72.4859 172.5889 86 A 4.7198 8.0589 120.8149 50.3627 22.8235 175.2087 87 N 5.0190 8.5589 119.6393 53.0355 40.1621 176.5325 88 V 3.5635 8.5575 117.8584 64.5751 31.8115 177.8708 89 N 4.6316 8.5066 114.6919 53.8575 39.1423 175.5754 90 T 3.9472 7.9045 117.8752 62.5241 69.2348 172.1562 91 P 4.7013 0.0000 0.0000 62.4045 33.2336 176.7881 92 L 3.7791 8.8790 124.0266 58.4723 42.0317 179.5603 93 G 3.7982 8.1851 104.8364 48.2991 0.0000 175.1813 94 E 4.0056 8.1178 120.8029 58.7330 29.2390 179.5928 95 V 3.5850 7.3515 117.4305 65.8722 31.6837 177.7073 96 L 4.2035 7.9764 117.9777 57.9002 41.7023 179.1749 97 R 4.0949 8.1396 118.5852 59.0801 30.0122 179.2803 98 K 4.3004 8.1117 117.7422 56.5813 32.2181 178.3719 *100 A 4.2931 7.9770 121.5052 51.7990 20.3885 179.7788 101 E 3.9782 8.3856 114.1341 59.7151 29.5040 178.0926 102 H 4.4259 8.2407 113.3090 55.5638 29.4815 175.0284 103 R 3.8756 7.6016 117.3318 57.6055 27.5919 175.7525 104 I 4.6812 7.6140 108.7118 59.2325 40.6493 175.4415 105 K 4.4648 8.5011 118.9982 56.9073 33.7467 175.5848 106 H 5.1881 8.0379 116.2690 54.1178 33.0622 172.6743 107 I 4.5508 8.8569 122.0740 59.0685 41.3658 174.3658 108 L 4.5273 8.1597 128.4337 54.9860 42.9072 175.9603 109 I 4.8639 8.8142 124.0123 59.8205 39.4559 174.3662 110 E 5.2132 9.2835 127.2296 54.5168 33.3217 174.4344 111 E 4.6885 8.8773 125.7293 55.2281 33.2024 174.8770 112 E 3.6515 10.2567 127.0404 57.2799 27.3287 175.4917 113 G 4.0275 8.7455 108.2731 44.9956 0.0000 174.7516 114 K 4.5010 7.6398 118.4213 54.6082 33.9530 175.5907 115 I 4.5267 8.1198 122.5179 61.2737 37.4417 176.2559 116 V 4.2511 8.2062 118.4522 61.3022 33.5619 175.7104 117 G 4.0990 7.4820 105.3297 46.6141 0.0000 171.8246 118 I 5.1423 8.3529 118.5864 59.6531 41.6294 174.7986 119 F 5.2833 9.4230 130.7519 56.6820 42.2009 174.2037 120 T 4.9638 8.6284 115.4350 59.1445 72.1140 175.0210 121 L 3.8155 8.0213 120.9676 57.6768 41.3499 180.0675 122 S 4.0962 7.7877 114.9975 61.5403 62.7131 176.1422 123 D 4.3536 7.5680 121.2119 57.0982 40.4576 178.4514 124 L 4.0371 7.2830 120.4529 58.1420 41.9463 178.7611 125 L 4.0393 7.8289 121.4826 57.5049 41.7789 178.5050 126 E 3.9186 8.2589 118.9702 59.3540 29.5745 178.7329 127 A 4.1253 8.4607 121.4185 55.1456 18.2907 179.7330 128 S 4.1240 8.6284 112.9275 60.7987 62.7781 175.8212 129 R 4.3723 7.4864 119.4339 54.7304 31.3025 175.9826 130 R 3.7883 7.7775 117.2110 57.3294 27.8833 176.9159 131 R 4.5321 7.7564 115.3678 54.4703 31.8171 176.7147 132 L 4.4202 8.3493 123.4663 53.4149 42.8733 175.8270 133 E 4.2187 8.6724 124.5302 55.5516 30.2262 175.1655 134 T 4.3739 8.3842 120.8574 60.7081 68.5104 174.1382 135 A 4.2937 8.5949 131.0777 52.9768 19.4359 176.8895 136 I 4.4542 6.9398 108.9694 58.4259 39.8231 175.6413 137 S 4.1291 8.5234 115.8274 58.5860 62.7256 173.3586 138 A 4.8292 8.3364 128.6366 50.5144 21.5808 175.8869 139 E 4.2441 8.5335 120.1974 56.7750 30.6692 175.2688 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 5 D 8.22 4.51 0.00 2.84 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 *7 K 8.49 4.23 0.00 2.13 1.91 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 8 A 7.83 4.19 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 9 P 0.00 4.69 0.00 2.30 2.15 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 10 I 8.82 3.73 1.90 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.99 0.95 0.00 0.00 11 K 7.73 4.06 0.00 1.88 1.96 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.33 7.81 12 V 7.30 3.71 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 0.50 0.00 0.00 -0.43 0.00 0.00 13 Y 7.23 4.70 0.00 2.87 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 *15 T 7.36 4.16 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 1.43 0.00 0.00 16 K 8.33 4.34 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.35 7.81 17 K 7.92 4.16 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 18 L 7.60 4.55 0.00 1.58 1.66 0.95 1.07 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 19 L 8.20 4.51 0.00 1.57 1.43 0.75 0.33 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 20 G 8.47 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.77 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 0.90 0.00 0.00 1.07 0.00 0.00 22 K 8.29 4.81 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.27 7.81 23 P 0.00 4.31 0.00 2.19 2.19 0.00 3.61 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 24 S 7.94 4.43 0.00 3.98 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 25 T 7.72 3.94 4.35 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 1.26 0.00 0.00 26 S 8.46 4.79 0.00 4.09 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 27 V 8.39 3.45 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 0.90 0.00 0.00 0.77 0.00 0.00 28 Q 8.06 3.94 0.00 2.53 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 29 E 8.21 3.94 0.00 2.18 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 0.00 2.34 2.41 0.00 30 A 8.17 4.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.25 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.62 4.10 0.00 1.86 2.14 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 33 L 7.91 4.29 0.00 2.12 1.83 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *36 E 7.85 4.01 0.00 2.00 2.04 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 1.47 2.05 0.00 37 F 8.18 4.50 0.00 3.24 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 38 D 8.02 4.40 0.00 2.76 2.72 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 39 V 7.72 4.51 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 0.86 0.00 0.00 0.99 0.00 0.00 40 G 8.56 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 0.00 0.00 0.00 41 S 7.29 4.74 0.00 3.03 3.21 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 42 L 7.46 4.52 0.00 0.31 1.08 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.17 4.71 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 0.85 0.00 0.00 0.99 0.00 0.00 44 V 8.56 4.92 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 1.11 0.00 0.00 1.15 0.00 0.00 45 I 8.48 5.11 1.88 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 1.29 1.00 0.95 0.00 0.00 46 N 8.94 4.73 0.00 2.95 2.99 0.00 0.00 6.73 8.90 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 47 D 8.54 4.43 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 48 D 8.73 4.58 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.41 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 50 N 7.93 4.95 0.00 2.75 2.72 0.00 0.00 6.68 7.68 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 51 V 8.27 4.14 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 0.89 0.00 0.00 0.95 0.00 0.00 52 V 8.82 4.37 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 0.74 0.00 0.00 1.04 0.00 0.00 53 G 7.73 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 0.00 0.00 0.00 0.00 54 F 8.67 5.37 0.00 2.96 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 55 F 7.25 4.98 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.83 4.72 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 57 K 8.36 4.03 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.62 7.81 58 S 8.05 4.10 0.00 3.91 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 59 D 8.06 4.37 0.00 2.97 2.72 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 60 I 7.48 3.69 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.79 0.00 0.00 61 I 7.59 3.68 1.98 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 1.57 1.11 0.89 0.00 0.00 62 R 8.03 3.95 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 63 R 8.32 4.44 0.00 1.83 1.90 0.00 3.24 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 64 V 7.33 4.21 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 0.92 0.00 0.00 0.84 0.00 0.00 65 I 7.88 3.64 2.03 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 1.03 0.86 0.90 0.00 0.00 66 V 7.65 3.61 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 0.76 0.00 0.00 0.96 0.00 0.00 67 P 0.00 4.31 0.00 2.08 2.09 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 68 G 7.41 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 69 L 7.68 4.54 0.00 1.69 1.62 0.98 1.05 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 70 P 0.00 4.43 0.00 2.20 1.99 0.00 3.61 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 2.12 2.12 0.00 71 Y 8.66 4.57 0.00 2.96 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 72 D 7.94 4.79 0.00 2.77 2.79 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 73 I 7.26 3.89 1.85 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 1.52 0.48 0.96 0.00 0.00 74 P 0.00 4.72 0.00 2.36 2.21 0.00 3.70 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 2.04 1.97 0.00 75 V 8.60 3.33 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 0.49 0.00 0.00 1.03 0.00 0.00 76 E 7.50 3.92 0.00 2.16 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 2.32 2.30 0.00 77 R 8.08 4.15 0.00 1.87 1.93 0.00 3.14 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 78 I 7.25 4.43 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.30 0.81 0.00 0.00 *80 T 7.37 4.20 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 1.31 0.00 0.00 81 R 8.45 5.02 0.00 1.84 2.00 0.00 3.24 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 82 N 7.95 5.00 0.00 2.77 2.74 0.00 0.00 6.13 7.79 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 83 L 8.24 4.53 0.00 1.52 1.37 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.79 4.43 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.70 0.00 0.00 85 T 8.58 5.42 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 1.12 0.00 0.00 86 A 8.06 4.72 1.20 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 0.00 0.00 0.00 0.00 0.00 87 N 8.56 5.02 0.00 2.72 2.66 0.00 0.00 7.21 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.56 3.56 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 0.67 0.00 0.00 0.91 0.00 0.00 89 N 8.51 4.63 0.00 2.81 2.83 0.00 0.00 7.05 8.39 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 90 T 7.90 3.95 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 1.19 0.00 0.00 91 P 0.00 4.70 0.00 2.25 2.28 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 92 L 8.88 3.78 0.00 1.81 1.72 0.48 0.34 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 93 G 8.19 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 94 E 8.12 4.01 0.00 2.14 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 2.39 2.36 0.00 95 V 7.35 3.58 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 0.81 0.00 0.00 0.91 0.00 0.00 96 L 7.98 4.20 0.00 1.80 1.74 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.14 4.09 0.00 1.89 2.09 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 98 K 8.11 4.30 0.00 2.01 1.93 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 *100 A 7.98 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.39 3.98 0.00 1.93 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 2.34 2.62 0.00 102 H 8.24 4.43 0.00 3.29 3.36 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.60 3.88 0.00 2.02 2.03 0.00 3.12 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 104 I 7.61 4.68 2.09 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 1.47 0.72 0.99 0.00 0.00 105 K 8.50 4.46 0.00 1.46 1.61 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 106 H 8.04 5.19 0.00 3.16 3.25 0.00 5.84 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 0.00 107 I 8.86 4.55 1.93 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 1.22 1.88 1.12 0.00 0.00 108 L 8.16 4.53 0.00 1.53 1.49 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.81 4.86 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.94 0.00 0.00 110 E 9.28 5.21 0.00 1.89 1.72 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 2.28 2.33 0.00 111 E 8.88 4.69 0.00 2.03 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 2.27 0.00 112 E 10.26 3.65 0.00 2.11 1.98 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 2.21 2.27 0.00 113 G 8.75 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 0.00 114 K 7.64 4.50 0.00 1.85 1.71 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 115 I 8.12 4.53 1.86 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 1.40 0.73 0.96 0.00 0.00 116 V 8.21 4.25 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 0.65 0.00 0.00 0.97 0.00 0.00 117 G 7.48 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.35 5.14 1.93 0.00 0.00 1.00 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 0.88 0.96 0.00 0.00 119 F 9.42 5.28 0.00 3.14 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 0.00 120 T 8.63 4.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 121 L 8.02 3.82 0.00 1.53 1.65 0.87 0.94 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 0.00 122 S 7.79 4.10 0.00 3.79 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 0.00 123 D 7.57 4.35 0.00 2.28 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 0.00 124 L 7.28 4.04 0.00 1.76 1.83 0.97 0.30 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 0.00 125 L 7.83 4.04 0.00 1.78 1.83 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.26 3.92 0.00 2.33 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 0.00 2.36 2.42 0.00 127 A 8.46 4.13 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 0.00 128 S 8.63 4.12 0.00 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.49 4.37 0.00 1.91 2.01 0.00 3.32 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 130 R 7.78 3.79 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 131 R 7.76 4.53 0.00 1.81 1.89 0.00 3.17 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 132 L 8.35 4.42 0.00 1.64 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.67 4.22 0.00 1.95 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 2.28 2.31 0.00 134 T 8.38 4.37 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 1.26 0.00 0.00 135 A 8.59 4.29 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 I 6.94 4.45 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 1.18 0.73 0.91 0.00 0.00 137 S 8.52 4.13 0.00 3.85 3.81 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 0.00 0.00 0.00 138 A 8.34 4.83 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 0.00 139 E 8.53 4.24 0.00 1.91 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 2.21 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.