NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.7853 0.0000 0.0000 62.9439 31.9783 175.2649 5 Y 5.1457 7.3405 117.3392 55.9368 42.5173 174.0039 6 I 4.6396 8.9702 122.8088 60.0809 39.7820 175.7564 7 L 4.8531 8.7472 129.7848 54.5975 43.4612 175.5310 8 V 4.6904 8.7748 127.5720 61.6560 32.7804 173.8603 9 L 5.3358 9.4184 131.7267 53.4227 44.4553 174.7909 10 Y 5.3991 8.2619 122.7315 56.2625 42.0223 172.7197 11 Y 4.8940 8.8264 120.4035 55.9224 41.9783 174.6677 12 S 4.4235 7.1962 120.5091 57.5059 65.7563 173.8276 13 R 4.2352 8.5550 125.4670 58.1790 30.4089 175.7740 14 H 4.9043 7.8863 114.5852 55.2822 29.0001 176.2657 15 G 3.8318 8.0500 107.2792 46.0903 0.0000 176.3167 16 A 3.8969 7.6339 122.0914 55.5962 18.3301 180.2843 17 T 3.9131 7.9077 113.5189 66.4731 68.4213 176.6311 18 A 3.3001 7.8974 122.4930 54.9559 18.4010 179.1478 19 E 3.7845 7.7838 117.0536 59.4497 29.7576 178.6063 20 M 3.8146 7.6405 118.7100 58.2844 31.9740 178.3854 21 A 3.5761 7.8437 120.8352 55.2003 18.4822 179.7827 22 R 3.7795 7.3856 116.3304 59.5735 30.0821 179.3346 23 Q 3.9181 7.7922 117.5084 58.9911 28.6271 178.7829 24 I 3.7042 7.5336 120.4959 64.4836 37.1047 178.1747 25 A 3.9985 7.9317 121.3436 55.1579 18.0666 179.8583 26 R 4.0651 8.0937 116.5449 59.3938 30.2264 179.1231 27 G 3.9246 8.1449 105.8035 48.2216 0.0000 175.5344 28 V 3.8123 8.0460 121.4523 65.5550 31.4302 177.9632 29 E 4.7500 8.1637 119.4417 59.3857 29.1968 179.1605 30 Q 4.1323 8.2238 116.9798 58.8608 28.8201 178.7190 31 G 4.0638 7.8786 103.9906 44.6323 0.0000 174.2520 32 G 4.0179 8.6034 108.8458 44.9147 0.0000 173.2698 33 F 4.8265 8.3756 119.5955 55.6836 43.7210 174.5522 34 E 4.7232 8.7238 119.1745 56.2894 30.8892 176.5878 35 A 4.8185 8.7088 127.0786 50.3771 20.1861 176.8434 36 R 4.3079 9.0473 124.4807 54.7075 31.0530 174.4060 37 V 4.6640 8.1813 126.0899 62.1632 32.3831 175.1461 38 R 4.9192 9.2870 126.1378 54.9968 35.0077 174.3482 39 T 5.2109 8.5276 115.5626 59.3950 71.0232 172.5628 40 V 4.7747 8.0662 112.7827 58.7462 35.4706 174.2533 41 P 4.1912 0.0000 0.0000 61.6815 32.1230 176.0994 42 A 4.1014 8.4498 122.4410 52.9015 18.7843 177.4026 43 V 4.3285 7.6868 112.5431 59.8081 34.6623 175.0386 44 S 4.5093 7.8580 115.0549 58.0975 65.3790 174.3402 45 T 4.2768 8.3119 109.9875 63.1101 69.7109 175.0829 46 E 4.5135 7.6075 120.7119 55.2128 30.4666 174.0814 *58 G 3.6609 7.8409 106.6444 45.1001 0.0000 172.2349 59 A 4.2362 8.2032 121.5424 51.2469 19.2823 177.0620 60 L 4.0318 8.0061 121.1664 55.1325 43.5844 175.5284 61 Y 5.1585 8.0691 120.6843 57.6037 38.6920 175.5392 62 A 4.5437 9.0471 126.0080 51.9742 19.0590 176.8154 63 T 4.9414 9.0102 109.0614 59.0093 72.1784 175.1375 64 L 4.0264 8.7820 122.1677 58.4518 41.4217 179.8425 65 E 4.0360 8.2478 117.6382 59.1980 29.1908 178.7963 66 D 4.5611 8.0130 118.6037 57.5702 41.0580 178.5974 67 L 4.2567 7.7715 118.6084 57.6177 41.4869 179.2617 68 K 3.8601 8.2618 118.8488 58.8838 32.1836 177.4890 69 N 4.8327 7.7458 113.6608 52.0870 39.5783 174.9836 70 C 3.1899 6.8575 115.1839 57.5872 30.2974 173.7888 71 A 4.0765 8.2987 123.9282 52.7531 18.7576 177.5078 72 G 4.0158 6.9405 103.3399 46.1737 0.0000 171.6902 73 L 5.4318 8.1432 120.8987 53.3444 46.2017 174.3416 74 A 5.2832 9.2690 127.2856 50.0963 22.0589 174.4404 75 L 5.1092 9.1430 125.2469 53.1860 44.8526 175.4718 76 G 3.8351 8.7538 112.8038 44.7855 0.0000 171.2505 77 S 5.3786 7.9906 115.7424 56.0132 66.0373 171.5956 78 P 5.0119 0.0000 0.0000 62.6063 32.1976 176.0204 79 T 3.9212 8.9149 113.6147 62.2606 69.5327 174.3421 80 R 4.0864 9.2593 126.8436 54.5632 31.1866 175.7538 81 F 4.2024 8.9112 125.5990 58.5491 36.2941 177.0478 82 G 4.0276 8.2460 106.6110 45.5336 0.0000 172.2464 83 N 5.0787 7.7239 116.0555 50.8400 42.5119 173.6911 84 M 4.4294 8.3365 116.3298 54.7272 32.2478 176.6649 85 A 4.1371 8.9589 122.9954 51.8653 20.2462 179.0647 86 S 4.0481 8.5896 118.8947 61.3282 62.7833 175.3540 87 P 3.9784 0.0000 0.0000 64.8048 30.9190 178.4383 88 L 3.9843 7.4747 118.8971 58.0107 42.2422 178.3949 89 K 3.8536 7.9398 119.6634 59.8841 31.7827 177.8579 90 Y 4.0964 8.4454 119.1097 60.7695 38.4697 177.6587 91 F 4.0752 7.9803 121.4776 61.0374 39.4315 177.2476 92 L 3.8872 8.1582 118.7315 57.9069 41.2831 178.9014 93 D 4.4561 8.3181 118.0804 57.1257 40.6772 178.0485 94 G 3.8353 7.0298 103.8830 44.8780 0.0000 173.9927 95 T 4.4140 7.5102 108.8522 60.9770 69.2704 175.8373 96 S 3.9876 8.2220 119.2394 62.6338 62.6317 176.2503 97 S 4.1163 7.9740 114.6651 61.7855 62.0409 176.2510 98 L 4.0596 8.0866 123.2292 58.2806 41.3693 180.2744 *99 W 4.0360 8.0230 122.4470 61.2483 28.0595 179.9989 100 L 4.0841 8.3923 121.7946 58.1894 41.5069 177.8535 101 T 4.2161 8.3239 106.0574 60.7457 69.1201 174.7582 102 G 3.8896 7.9504 109.8883 47.0122 0.0000 172.4087 103 S 4.5133 8.7978 114.3314 57.2730 64.9493 174.7360 104 L 3.8916 8.5249 118.9564 55.2072 40.3183 175.5035 105 V 4.2863 6.5661 117.4331 62.5459 31.4841 176.3508 106 G 4.0345 9.0010 112.0279 45.0696 0.0000 173.4387 107 K 4.5068 7.8136 119.5822 54.7190 33.8136 175.1222 108 P 5.0469 0.0000 0.0000 63.2057 33.1132 174.7777 109 A 5.7949 8.9700 120.6553 51.6282 23.1083 175.0405 110 A 5.0548 8.5532 120.3372 50.6010 23.3716 175.1113 111 V 5.2068 8.3448 110.8975 59.9633 36.2703 174.9168 112 F 5.3868 8.6078 116.1761 56.3363 41.7405 173.1894 113 T 5.7987 9.0261 109.0926 60.3576 72.7588 172.3287 114 S 5.2742 8.6711 116.0068 56.9438 66.2146 172.3986 115 T 4.9404 9.1741 119.4369 60.0004 71.0937 173.6610 116 A 4.8499 8.5979 129.1694 51.9134 19.7189 176.6817 117 S 4.7397 7.8834 115.3848 58.6947 65.3885 174.4638 118 L 3.7216 8.9186 130.6456 58.2588 40.7787 177.2389 *119 H 3.9593 7.0811 114.2318 55.1667 29.2551 179.7143 120 G 4.0245 7.9540 109.6618 47.3152 0.0000 172.8235 121 G 4.1233 8.4617 108.3730 45.8182 0.0000 175.6283 122 Q 3.9799 8.3890 119.3293 58.9709 28.9671 177.6227 123 E 4.3012 8.3291 119.3614 59.9645 29.5606 179.5520 124 T 3.8482 7.8779 108.9879 65.1138 68.3455 176.5060 125 T 4.0545 7.6622 119.8394 65.8377 68.6224 176.5555 126 Q 4.0353 8.6402 120.3141 58.9300 28.4580 178.8236 127 L 3.7751 8.3412 121.6178 58.2316 41.9427 179.2742 128 S 4.1552 8.4448 112.4891 61.2009 61.7550 175.5730 129 M 4.2627 7.8374 121.7948 57.2984 32.0105 178.2805 130 L 4.2898 7.8475 118.8194 57.2353 41.6860 178.7551 131 L 3.9631 7.6097 119.3325 57.6088 41.6041 177.5836 132 P 4.3327 0.0000 0.0000 66.1494 31.0433 178.2205 133 L 4.0633 7.4977 118.6289 57.6857 41.4771 179.5750 134 L 3.9983 8.1594 118.8039 57.7689 41.2332 179.1973 135 H 4.0921 8.0622 115.6781 59.2610 28.8850 177.2082 136 H 4.3958 8.4266 114.8866 56.2505 28.7903 175.7467 137 G 3.8083 7.9326 109.3268 46.7536 0.0000 173.6894 138 M 4.7864 8.0787 118.6661 54.1614 34.0345 175.9959 139 L 4.5630 8.4000 120.6684 53.6900 43.2926 176.1777 140 V 5.0315 8.4021 117.8936 59.6529 33.3150 175.4691 141 L 4.8287 8.7925 124.3037 54.0242 43.3289 176.7789 142 G 4.3088 8.4484 108.7251 44.2484 0.0000 172.5017 143 I 4.3417 8.1956 124.7622 58.9248 38.0917 175.6258 144 P 4.4080 0.0000 0.0000 62.4498 30.1417 176.2911 *158 T 4.0823 7.7797 107.8450 62.1095 69.7127 172.3306 159 P 4.2339 0.0000 0.0000 63.9902 31.9402 176.8974 160 Y 4.5580 7.2966 115.7935 57.6196 38.4984 175.2972 161 G 4.3682 6.8782 107.0374 45.3055 0.0000 172.1906 162 A 4.5459 8.0237 122.1622 51.8309 19.4335 176.8870 163 S 5.3684 8.6200 115.3851 56.9580 66.7598 172.8973 164 H 5.6279 8.7989 119.7046 53.8953 33.3269 171.6895 165 F 5.1747 9.0404 128.0367 57.7622 39.8491 174.8548 166 A 4.1984 9.4629 128.1024 50.7758 20.5279 173.4287 167 G 3.5681 6.0692 111.4652 44.0467 0.0000 174.7435 168 A 3.8692 8.9641 128.2509 55.0159 18.8822 178.8053 169 D 4.3775 8.0855 113.9961 53.4564 40.1973 183.6415 170 G 3.9923 9.0656 107.7254 47.3871 0.0000 175.7885 171 K 4.0521 7.5729 120.1673 57.0949 32.0346 183.0927 172 R 3.8903 7.3629 118.9889 56.7781 30.2736 175.9498 173 S 4.7095 8.1947 119.7914 56.4535 64.9092 173.8833 174 L 4.3651 8.0901 121.2080 54.9422 42.0110 177.0594 175 D 5.0004 8.4895 122.0764 53.1069 44.6009 178.0382 176 E 3.9913 8.6310 119.3517 61.7520 29.4694 178.0164 177 H 4.4407 8.1261 118.1203 59.4853 29.7003 177.1540 178 E 3.9645 8.1753 119.8783 59.2487 29.4322 179.1668 179 L 3.9598 8.0958 119.1022 58.0745 41.6160 179.5749 180 T 3.8552 7.9135 115.4891 66.7527 68.3582 176.6072 181 L 3.9395 7.8767 120.6558 57.9163 41.6324 179.3115 182 C 3.9781 8.0950 116.6022 63.0241 28.0202 176.5534 183 R 4.0026 7.8900 118.9447 58.8447 29.6011 178.6793 184 A 3.9708 8.2031 121.0457 55.1977 18.3719 179.4349 185 L 3.9544 8.1438 118.8070 58.2976 42.2318 179.2405 186 G 3.6481 8.0498 105.6420 47.8426 0.0000 175.5136 187 K 4.1371 8.7607 122.5171 59.1378 32.2260 178.9972 188 R 3.8601 8.4308 119.5720 59.1164 30.0184 178.1470 189 L 3.8738 8.5022 120.2871 58.1675 42.0763 178.8912 190 A 3.5571 7.9391 120.5508 55.1406 18.3034 179.4411 191 E 4.0621 8.4125 117.2291 59.8136 29.4858 179.8382 192 T 3.8201 8.0893 115.5707 66.5388 68.3203 176.4768 193 A 3.9981 7.7404 121.5543 55.5721 18.3384 179.1846 194 G 3.9425 8.3964 103.1946 48.2603 0.0000 175.1949 195 K 4.0183 8.9197 122.4062 58.8347 32.4099 177.6804 196 L 4.3291 8.4350 122.7627 54.9735 41.7854 176.6412 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 4 P 0.00 4.79 0.00 2.06 2.30 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 5 Y 7.34 5.15 0.00 3.35 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.97 4.64 1.92 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 0.91 0.70 0.91 0.00 0.00 7 L 8.75 4.85 0.00 2.09 1.67 1.04 0.74 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 8 V 8.77 4.69 2.22 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 1.12 0.00 0.00 0.99 0.00 0.00 9 L 9.42 5.34 0.00 1.80 1.56 0.69 0.83 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 10 Y 8.26 5.40 0.00 3.21 3.18 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 11 Y 8.83 4.89 0.00 2.91 2.87 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 12 S 7.20 4.42 0.00 3.99 3.62 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 13 R 8.56 4.24 0.00 1.86 1.80 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 14 H 7.89 4.90 0.00 3.17 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.05 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 16 A 7.63 3.90 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 17 T 7.91 3.91 4.44 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 0.00 0.00 0.00 1.44 0.00 0.00 18 A 7.90 3.30 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 19 E 7.78 3.78 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 20 M 7.64 3.81 0.00 1.89 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 21 A 7.84 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.39 3.78 0.00 1.86 1.92 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 23 Q 7.79 3.92 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 24 I 7.53 3.70 1.73 0.00 0.00 -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 1.28 0.39 0.78 0.00 0.00 25 A 7.93 4.00 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 26 R 8.09 4.07 0.00 1.98 1.97 0.00 3.31 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 27 G 8.14 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.05 3.81 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 1.20 0.00 0.00 0.98 0.00 0.00 29 E 8.16 4.75 0.00 2.26 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 2.36 2.37 0.00 30 Q 8.22 4.13 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 31 G 7.88 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.60 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 33 F 8.38 4.83 0.00 3.17 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 34 E 8.72 4.72 0.00 1.64 1.83 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 2.23 2.14 0.00 35 A 8.71 4.82 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 36 R 9.05 4.31 0.00 1.60 1.86 0.00 2.58 0.00 0.00 2.95 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 37 V 8.18 4.66 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 1.03 0.00 0.00 0.97 0.00 0.00 38 R 9.29 4.92 0.00 1.67 1.66 0.00 3.26 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 39 T 8.53 5.21 3.40 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 0.00 0.00 0.00 1.29 0.00 0.00 40 V 8.07 4.77 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 0.33 0.00 0.00 0.99 0.00 0.00 41 P 0.00 4.19 0.00 1.87 1.29 0.00 3.33 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 0.00 42 A 8.45 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.33 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 0.39 0.00 0.00 0.75 0.00 0.00 44 S 7.86 4.51 0.00 3.89 3.75 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 0.00 0.00 0.00 45 T 8.31 4.28 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 1.17 0.00 0.00 46 E 7.61 4.51 0.00 1.89 1.89 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 2.19 2.27 0.00 *58 G 7.84 3.66 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 0.00 0.00 0.00 59 A 8.20 4.24 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 60 L 8.01 4.03 0.00 1.72 1.49 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.07 5.16 0.00 2.91 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 62 A 9.05 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.01 4.94 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 64 L 8.78 4.03 0.00 1.76 1.77 0.79 0.83 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 65 E 8.25 4.04 0.00 2.04 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 2.44 2.38 0.00 66 D 8.01 4.56 0.00 3.01 2.87 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 67 L 7.77 4.26 0.00 2.01 1.75 0.98 0.84 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 68 K 8.26 3.86 0.00 1.76 2.03 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 69 N 7.75 4.83 0.00 2.91 2.95 0.00 0.00 7.06 8.54 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 70 C 6.86 3.19 0.00 3.18 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 71 A 8.30 4.08 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 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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 89 K 7.94 3.85 0.00 1.93 1.99 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 90 Y 8.45 4.10 0.00 2.95 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 91 F 7.98 4.08 0.00 3.13 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 92 L 8.16 3.89 0.00 1.88 1.69 0.96 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 93 D 8.32 4.46 0.00 2.65 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 94 G 7.03 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 95 T 7.51 4.41 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 0.95 0.00 0.00 96 S 8.22 3.99 0.00 3.82 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 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V 6.57 4.29 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 1.10 0.00 0.00 0.99 0.00 0.00 106 G 9.00 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 0.00 107 K 7.81 4.51 0.00 1.77 1.83 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.63 7.81 108 P 0.00 5.05 0.00 2.06 2.13 0.00 3.85 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 1.95 1.96 0.00 109 A 8.97 5.79 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 0.00 110 A 8.55 5.05 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 0.00 111 V 8.34 5.21 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 0.87 0.00 0.00 1.09 0.00 0.00 112 F 8.61 5.39 0.00 3.14 3.08 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 0.00 113 T 9.03 5.80 4.29 0.00 0.00 0.00 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8.08 4.79 0.00 2.04 2.09 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 2.76 2.72 0.00 139 L 8.40 4.56 0.00 1.61 1.60 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.40 5.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 141 L 8.79 4.83 0.00 1.59 1.60 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.45 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.20 4.34 1.98 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 1.46 0.67 0.89 0.00 0.00 144 P 0.00 4.41 0.00 2.16 2.14 0.00 3.78 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 1.98 1.95 0.00 *158 T 7.78 4.08 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 1.27 0.00 0.00 159 P 0.00 4.23 0.00 1.79 2.07 0.00 3.28 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 160 Y 7.30 4.56 0.00 3.19 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 0.00 161 G 6.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.02 4.55 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 0.00 163 S 8.62 5.37 0.00 4.09 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 0.00 164 H 8.80 5.63 0.00 3.30 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 9.04 5.17 0.00 2.94 2.91 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 0.00 166 A 9.46 4.20 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 0.00 167 G 6.07 3.57 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 0.00 168 A 8.96 3.87 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 0.00 169 D 8.09 4.38 0.00 2.62 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 0.00 170 G 9.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.57 4.05 0.00 1.88 1.73 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.24 7.81 172 R 7.36 3.89 0.00 1.59 1.64 0.00 3.11 0.00 0.00 2.86 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 173 S 8.19 4.71 0.00 3.88 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 0.00 174 L 8.09 4.37 0.00 1.57 1.61 0.76 1.04 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 0.00 175 D 8.49 5.00 0.00 2.79 2.61 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 0.00 176 E 8.63 3.99 0.00 1.97 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 2.32 1.95 0.00 177 H 8.13 4.44 0.00 3.19 3.33 0.00 5.66 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 0.00 178 E 8.18 3.96 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 179 L 8.10 3.96 0.00 1.91 1.69 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.91 3.86 4.40 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 0.00 0.00 0.00 1.22 0.00 0.00 181 L 7.88 3.94 0.00 1.80 1.67 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.09 3.98 0.00 3.03 2.81 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 0.00 183 R 7.89 4.00 0.00 1.86 1.94 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 184 A 8.20 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.14 3.95 0.00 1.84 1.85 0.95 1.41 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 0.00 186 G 8.05 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 K 8.76 4.14 0.00 1.91 2.02 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 188 R 8.43 3.86 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 189 L 8.50 3.87 0.00 1.81 1.85 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.94 3.56 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.41 4.06 0.00 2.14 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 2.38 2.54 0.00 192 T 8.09 3.82 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 193 A 7.74 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.40 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 0.00 0.00 0.00 195 K 8.92 4.02 0.00 1.71 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.72 7.81 196 L 8.43 4.33 0.00 1.70 1.58 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.