NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.3478 8.1933 116.6321 57.6424 64.9527 172.6441 2 L 4.3603 7.7067 121.6993 54.4798 42.2371 174.8792 3 A 4.8235 9.8694 124.7050 50.6954 23.6112 174.8624 4 V 4.9972 8.1816 111.3625 59.2718 35.1624 176.0549 5 D 4.4442 8.4591 122.2892 55.7077 39.3576 176.2476 6 Q 4.5476 8.2064 116.8539 54.0854 31.8392 175.1064 7 T 4.4866 7.8939 107.0956 61.5400 69.5275 174.2642 8 R 4.9393 6.7914 116.2209 56.0243 32.0707 173.6797 9 Y 4.8097 9.0580 117.4275 56.4100 42.6838 174.4549 10 I 4.9864 8.5455 122.9912 59.6497 39.7925 175.3447 11 F 4.3933 9.7063 131.9401 57.0742 39.9964 174.6538 12 R 4.4809 8.2790 126.6312 55.4530 30.6326 178.3299 13 G 3.8289 9.3593 115.0275 47.8771 0.0000 173.6507 14 D 4.6432 7.9192 117.5242 53.6698 40.1503 176.2079 15 E 4.4139 8.0061 120.3595 55.5682 30.8097 176.3908 16 D 4.5267 8.7125 121.8935 57.1547 41.2336 176.4899 17 A 5.1503 7.4870 116.9708 50.4920 22.8369 174.8636 18 L 4.3869 9.1971 122.2320 53.8379 43.8859 175.4344 19 T 4.9082 8.4717 123.6895 62.6186 69.5417 174.3354 20 I 4.5202 8.4987 127.3737 59.6226 39.5693 174.7940 21 T 5.0222 8.5155 119.4555 60.3880 70.1274 172.8316 22 V 4.8014 8.6235 129.7709 60.8077 33.6145 175.2666 23 T 5.0526 9.0772 114.0367 59.9391 72.0446 172.3674 24 N 5.1114 8.6662 122.0967 52.0964 40.4332 174.3340 25 N 4.7807 8.3886 125.8673 53.7784 37.8114 176.8361 26 D 4.3456 8.6680 122.1151 57.4571 40.0041 182.4710 27 K 4.3931 8.5926 121.7508 54.3636 30.6500 179.1609 28 E 4.5670 8.2858 112.3258 57.9992 31.8128 181.1481 29 R 4.9576 7.8542 118.6863 54.9718 31.6387 177.4462 30 T 4.6946 8.5261 113.2142 60.6109 70.4325 174.0566 31 F 4.8088 9.3416 123.1263 55.9193 42.1581 175.4343 32 G 4.1877 8.9847 109.1502 45.6628 0.0000 172.7807 33 G 3.9426 8.3111 106.0930 44.6265 0.0000 172.1440 34 Q 5.8489 9.4418 120.3166 53.0946 33.2506 173.9941 35 A 5.8979 9.0692 124.2794 49.1688 22.4453 174.7211 36 W 4.8011 7.8394 116.2729 56.0371 31.5842 173.0188 37 V 4.9581 8.7080 119.4742 61.3811 33.5471 174.2617 38 D 5.2877 9.3062 127.3301 52.5921 44.3554 175.8090 39 N 5.0001 8.7068 117.9632 52.5475 39.5957 175.7712 40 I 3.7925 7.8622 119.0239 64.0273 37.2006 176.1295 *45 T 3.9868 7.6392 116.2633 62.6810 68.0423 174.0537 46 R 4.3049 8.4744 118.8513 55.2188 28.6966 173.6902 47 P 4.5124 0.0000 0.0000 63.2771 31.3712 175.1696 48 T 3.9926 7.6484 108.8395 61.5695 70.9616 173.6412 49 F 4.8966 7.6068 120.7266 54.5186 43.6199 173.9270 50 V 4.5391 9.0175 119.5340 61.3084 34.9508 174.0281 51 V 5.0294 8.6452 127.2198 61.3513 33.4453 174.5979 52 T 4.9308 8.7101 118.0311 59.0585 71.4359 171.9819 53 P 4.7705 0.0000 0.0000 62.6637 32.6943 176.5484 54 S 4.5071 9.1178 119.4373 62.0867 63.6813 174.7536 *55 F 5.6790 7.9675 117.2192 54.8466 41.1051 176.0279 56 F 4.7658 7.6242 115.3102 57.9038 40.2903 173.0415 57 K 5.1906 8.9956 121.2674 53.4970 35.8311 174.5423 58 V 4.5239 9.2670 125.3363 61.0831 34.4014 176.0565 59 K 4.5754 8.7969 130.9833 54.2930 33.1763 171.1082 60 P 4.4466 0.0000 0.0000 64.9200 31.6569 176.1290 61 N 4.2162 8.4217 117.4723 54.0463 37.1429 174.4992 62 G 4.1275 8.1340 107.3343 45.7483 0.0000 172.7218 63 Q 5.1874 8.2959 116.9803 54.7512 33.3374 174.6255 64 Q 4.6102 8.8799 121.2780 55.1146 32.9062 173.1770 65 T 4.9387 8.4107 116.2486 60.2177 70.9321 173.7162 66 L 4.8431 8.7485 124.3841 53.0284 45.2221 175.4238 67 R 4.8082 8.8728 122.1896 55.0251 32.2480 175.4602 68 I 4.7808 9.0615 128.2030 59.9897 38.5659 175.0560 69 I 4.8544 8.7431 131.3350 59.9660 37.5995 174.1169 *71 A 4.0547 8.5020 123.8783 52.7116 19.5544 176.5089 72 S 4.1422 7.2053 110.0375 59.2495 64.0695 174.7380 73 D 4.4457 8.8965 129.2814 54.9827 39.8821 177.4297 *74 H 4.7426 7.5176 117.6975 53.5863 27.0745 178.9752 75 L 4.7334 7.1104 122.4629 52.0797 45.2383 174.0366 76 P 4.1655 0.0000 0.0000 64.2539 31.5317 176.7444 77 K 4.6200 8.7312 123.1125 54.2646 32.1915 172.9850 78 D 4.9813 7.8969 116.5522 53.6965 40.7922 175.8294 79 K 4.5500 7.5318 117.4711 55.0526 35.3378 175.4618 80 E 4.7370 8.7315 121.2265 56.5154 30.1611 176.4221 81 S 4.7249 8.7577 115.6487 56.8949 67.1134 172.8220 82 V 4.5358 7.6129 112.6931 59.9291 34.8403 174.4155 83 Y 4.4865 7.8822 118.0774 56.4923 43.1671 174.2466 84 W 5.3039 9.1106 122.3575 55.7063 30.8355 175.3391 85 L 4.5455 9.4352 128.7788 54.1969 43.0582 174.9258 86 N 5.0523 8.6593 124.1742 51.0753 41.5694 173.5213 87 L 5.0115 8.5344 124.5364 53.4134 45.2485 174.8021 88 Q 5.0296 9.5762 129.7650 54.3416 30.7854 174.2578 89 D 5.1420 8.5442 126.9552 53.0665 41.3189 176.5836 90 I 4.4695 9.0887 122.6530 58.5345 39.0146 173.3706 91 P 3.1474 0.0000 0.0000 61.6630 31.9433 174.5547 92 P 4.3248 0.0000 0.0000 61.5779 32.2950 176.0137 93 A 4.0829 8.0751 121.8479 52.2493 18.7583 177.0294 94 L 4.3216 8.1531 121.0149 53.3100 42.4274 176.8303 95 E 3.8705 8.7947 124.3188 57.2147 29.8083 178.3507 96 G 3.8526 8.5284 115.0962 44.8072 0.0000 171.8438 97 S 4.4085 8.2359 114.1567 56.9720 65.1059 170.9053 98 G 3.7954 7.8722 104.6320 44.4451 0.0000 172.6176 99 I 4.5096 8.2199 120.0020 59.2628 40.3536 174.4782 100 A 4.6511 8.6907 129.4378 50.8943 20.9715 176.4706 101 V 4.2181 8.4063 120.2735 59.1288 33.0495 172.1858 102 A 4.8872 8.5362 127.2880 49.2925 21.4267 174.7914 103 L 4.8097 9.5042 123.4451 52.9136 44.4569 175.4240 104 R 4.9029 8.6078 123.5492 54.8998 31.9780 174.7391 105 T 4.5800 8.6666 121.0243 60.0627 70.0292 172.4706 106 K 4.8825 8.5919 129.4562 54.6360 34.2254 174.8972 107 L 5.1270 9.1930 127.2335 52.4435 45.9345 176.2661 108 K 4.1122 9.0161 121.9417 56.6947 33.4854 175.5045 109 L 4.9563 8.8653 127.3988 53.4498 44.3512 175.0294 110 F 5.1620 9.7973 126.3275 56.6697 41.1900 174.4507 111 Y 5.2936 9.4255 124.1936 56.0795 41.2065 174.2927 112 R 4.4211 8.7649 128.6674 54.0059 31.5637 173.6882 113 P 4.2992 0.0000 0.0000 63.3094 31.4974 176.8060 114 K 4.2342 8.7068 119.1980 55.6762 32.1328 173.4384 115 A 4.3177 7.8631 118.9848 54.3836 19.0585 177.9333 116 L 4.7621 7.5025 113.4507 53.6570 42.4322 178.1677 117 L 3.9654 8.1762 122.4100 57.8808 41.6337 178.4321 118 E 4.6465 8.2920 111.3733 55.4892 30.3729 178.7567 119 G 4.0926 7.6651 107.0520 46.2465 0.0000 175.3592 120 R 2.8241 7.9411 123.3315 59.2571 30.2371 177.3004 121 K 3.8747 7.7913 118.6492 56.0548 31.8912 178.3019 122 G 2.5600 7.8842 111.0148 44.8396 0.0000 174.9178 123 A 3.8789 7.3822 124.0091 54.8865 18.2109 180.1012 124 E 3.3725 7.5378 116.5390 59.4717 29.2188 179.1831 125 E 4.3465 7.9808 118.1687 58.3538 29.2455 178.2639 126 G 4.0057 8.0893 104.4358 44.0407 0.0000 173.6564 127 I 4.2901 7.4131 123.5582 61.0310 38.4161 175.2830 128 S 5.6867 9.1134 119.9658 55.4655 66.5162 172.5477 129 L 5.1657 8.7162 121.7595 54.2881 42.1200 175.4875 130 Q 4.6782 8.4116 118.8295 54.6598 31.8708 174.7892 131 S 4.5499 8.6409 116.6189 58.2823 64.1932 173.6245 132 R 4.7842 8.2231 119.2448 53.7531 33.6784 175.2161 133 P 4.3233 0.0000 0.0000 65.0872 31.7098 177.6469 134 D 4.4827 8.3255 118.1436 58.0800 40.5940 178.1053 135 G 4.0317 8.2645 106.5803 45.9370 0.0000 174.7970 136 R 4.3056 7.8330 118.2885 55.8382 30.5531 180.6822 137 T 5.1569 7.9430 108.5117 59.8377 72.9085 172.0567 *139 L 4.3590 8.1723 121.7438 55.1238 43.7313 175.4129 140 V 4.7500 8.8187 126.5375 61.1106 34.3844 174.7140 141 N 4.6700 8.4985 128.3281 52.3921 37.1689 174.9762 142 T 4.4235 7.5377 119.8190 60.5405 69.0668 174.6022 143 T 4.7686 7.6658 109.9583 60.3393 72.6278 172.2014 144 P 4.4118 0.0000 0.0000 62.9953 31.5864 174.9299 145 Y 4.8279 7.4933 117.1965 56.1830 40.2360 174.8572 146 I 4.1973 8.5931 124.7846 60.8727 38.0125 175.5707 147 F 5.2213 8.9647 123.6771 55.8023 42.4189 175.5225 148 A 4.9089 8.6255 122.7650 49.5443 20.1018 174.4983 149 I 4.1258 9.4037 122.7752 61.2715 37.1486 176.5170 150 G 3.7951 9.2993 116.1194 48.9887 0.0000 173.1732 151 S 4.8724 7.8493 116.0350 56.4012 67.9277 172.7460 152 L 5.2216 8.3773 121.6676 53.4461 44.4015 175.4100 153 L 4.9951 8.0837 120.7913 54.2398 44.1941 174.0323 154 D 4.9181 7.7828 123.2868 54.6006 44.4196 176.8382 155 G 3.6847 9.1137 117.8674 49.0585 0.0000 173.9967 156 N 4.7299 7.7569 120.2112 51.0118 39.1321 175.6186 157 G 4.0563 8.6867 107.8053 48.3422 0.0000 173.0686 158 K 5.0469 7.8771 119.9339 55.4664 35.1445 172.3581 159 K 4.2616 9.2301 131.9219 55.3970 32.2901 174.2450 160 I 3.1843 8.5505 121.4263 62.2565 37.3840 175.2359 *163 D 4.3569 9.5295 121.6088 54.7425 41.7755 178.4471 164 N 4.6216 8.6442 125.3111 56.8037 37.6068 174.5327 165 G 4.0127 8.3340 107.8370 47.8120 0.0000 175.5632 166 T 3.9864 8.8514 118.9029 66.9138 68.5413 176.7054 167 T 3.7674 7.9887 112.9616 65.5863 67.1345 175.0890 168 Q 4.2981 8.5511 122.1454 58.8350 28.7029 179.0288 169 K 4.1305 7.5414 124.0043 59.5967 32.0478 182.0625 170 L 4.0542 8.1490 120.0756 57.3120 41.3318 178.6313 171 L 4.3771 7.4086 117.9982 55.1100 41.5410 176.2715 *173 F 4.8142 7.8453 119.9436 57.6486 40.1690 172.1184 *175 P 4.4249 0.0000 0.0000 65.6654 31.3736 176.3546 176 G 4.0305 8.8815 113.0662 45.2876 0.0000 173.1630 177 D 4.5872 7.8380 119.0196 54.9564 42.0652 175.4637 178 E 5.3743 8.7740 119.7977 54.6635 33.0883 175.3748 179 V 4.4494 8.8882 123.6846 60.7471 33.9268 175.0798 180 Q 4.3561 8.9488 129.2917 56.5952 29.8325 175.5270 181 V 4.3344 8.6101 124.3928 61.2788 34.4867 176.1632 182 K 4.4216 10.0951 128.2857 52.3100 31.3003 176.8910 183 G 3.7562 7.4059 110.2896 46.0576 0.0000 170.7323 184 N 4.7348 7.9052 114.3594 50.4127 36.3064 169.7982 185 V 3.8035 7.6043 121.9190 62.8792 32.9404 175.6772 186 V 4.4401 8.7650 124.9968 62.9577 34.5443 174.9143 187 K 5.2528 7.9191 117.4646 54.7833 37.0857 175.6077 188 V 4.9776 9.0193 113.9996 59.9031 36.5408 174.6148 189 D 5.0738 9.0760 123.7269 53.2093 42.2828 175.4997 190 S 5.2299 9.0136 119.0825 56.1023 65.6123 173.0371 191 L 4.6921 8.5501 127.6488 54.9502 42.1413 177.1008 192 N 4.9009 8.9742 122.3230 51.5286 39.7654 175.1195 193 D 4.2960 8.7645 116.7690 57.8799 40.8374 177.0983 194 Y 4.1719 8.4260 113.8647 57.6654 38.1625 175.8976 195 G 3.8873 8.4287 108.2992 45.9447 0.0000 172.9829 196 E 4.4657 8.7830 120.0894 54.6453 31.3312 175.5012 197 L 4.8124 8.6433 127.3072 54.5453 41.9641 175.4066 198 Q 4.6208 9.1366 124.7730 54.4599 32.0754 174.4600 199 T 4.7822 7.7443 116.7149 61.8970 70.1467 174.2135 200 W 4.9058 8.8095 125.9196 54.9856 32.9999 174.3353 201 T 4.8281 8.7338 119.1292 61.3671 67.7545 174.3943 202 I 4.1360 8.0783 122.9996 59.8520 40.5096 174.9529 203 N 4.3224 9.4567 118.3653 54.4312 37.5741 173.4693 204 K 4.4110 8.3047 118.8804 55.9235 32.7182 178.1187 205 K 4.2119 8.6103 123.9932 54.8745 31.6827 173.8505 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.19 3.35 0.00 3.64 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 2 L 7.71 4.36 0.00 1.55 1.65 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.87 4.82 1.17 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 0.00 0.00 0.00 0.00 0.00 4 V 8.18 5.00 2.27 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 0.80 0.00 0.00 1.12 0.00 0.00 5 D 8.46 4.44 0.00 2.95 2.83 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 6 Q 8.21 4.55 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 7 T 7.89 4.49 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 8 R 6.79 4.94 0.00 1.95 2.13 0.00 2.88 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 9 Y 9.06 4.81 0.00 2.95 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 10 I 8.55 4.99 1.89 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 1.20 0.57 0.95 0.00 0.00 11 F 9.71 4.39 0.00 3.03 3.20 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 12 R 8.28 4.48 0.00 1.86 1.78 0.00 3.16 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 13 G 9.36 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 14 D 7.92 4.64 0.00 2.78 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 15 E 8.01 4.41 0.00 1.52 1.64 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 2.22 2.15 0.00 16 D 8.71 4.53 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.49 5.15 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 18 L 9.20 4.39 0.00 1.92 1.67 1.05 0.98 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 19 T 8.47 4.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 I 8.50 4.52 1.68 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.54 0.66 0.00 0.00 21 T 8.52 5.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 22 V 8.62 4.80 2.13 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 0.65 0.00 0.00 1.09 0.00 0.00 23 T 9.08 5.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 24 N 8.67 5.11 0.00 2.82 2.86 0.00 0.00 7.14 6.74 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 25 N 8.39 4.78 0.00 2.65 2.85 0.00 0.00 6.93 8.94 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 26 D 8.67 4.35 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.59 4.39 0.00 1.89 2.07 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.21 0.96 7.81 28 E 8.29 4.57 0.00 1.95 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 2.12 1.83 0.00 29 R 7.85 4.96 0.00 1.57 1.71 0.00 3.22 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 30 T 8.53 4.69 4.43 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 1.25 0.00 0.00 31 F 9.34 4.81 0.00 2.98 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 32 G 8.98 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 0.00 0.00 0.00 0.00 33 G 8.31 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 34 Q 9.44 5.85 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 35 A 9.07 5.90 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 36 W 7.84 4.80 0.00 3.43 3.35 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 37 V 8.71 4.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 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0.00 4.17 0.00 2.28 2.02 0.00 3.80 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 2.06 2.11 0.00 77 K 8.73 4.62 0.00 1.76 1.67 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 0.97 7.81 78 D 7.90 4.98 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.53 4.55 0.00 1.71 1.65 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.42 7.81 80 E 8.73 4.74 0.00 1.85 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 2.47 1.91 0.00 81 S 8.76 4.72 0.00 3.64 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 82 V 7.61 4.54 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 -0.50 0.00 0.00 0.53 0.00 0.00 83 Y 7.88 4.49 0.00 2.83 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 84 W 9.11 5.30 0.00 3.24 2.97 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.29 4.65 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 119 G 7.67 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 0.00 0.00 0.00 0.00 120 R 7.94 2.82 0.00 1.62 1.72 0.00 3.22 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.45 0.00 121 K 7.79 3.87 0.00 1.81 1.63 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.03 7.81 122 G 7.88 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.38 3.88 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 0.00 124 E 7.54 3.37 0.00 1.32 1.67 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 1.90 1.47 0.00 125 E 7.98 4.35 0.00 2.05 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 2.66 2.36 0.00 126 G 8.09 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.41 4.29 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 1.14 0.00 0.00 128 S 9.11 5.69 0.00 3.92 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 0.00 129 L 8.72 5.17 0.00 1.68 1.72 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.41 4.68 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 131 S 8.64 4.55 0.00 3.89 3.85 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 0.00 132 R 8.22 4.78 0.00 1.93 1.77 0.00 3.31 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 133 P 0.00 4.32 0.00 2.04 2.12 0.00 3.72 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 2.03 2.12 0.00 134 D 8.33 4.48 0.00 2.70 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 0.00 135 G 8.26 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 0.00 136 R 7.83 4.31 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.00 137 T 7.94 5.16 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 1.22 0.00 0.00 *139 L 8.17 4.36 0.00 1.86 1.71 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.82 4.75 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 0.89 0.00 0.00 0.99 0.00 0.00 141 N 8.50 4.67 0.00 1.44 2.10 0.00 0.00 6.51 6.50 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 0.00 142 T 7.54 4.42 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 1.21 0.00 0.00 143 T 7.67 4.77 4.46 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 1.54 0.00 0.00 144 P 0.00 4.41 0.00 1.66 2.24 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 145 Y 7.49 4.83 0.00 2.47 2.50 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 0.00 146 I 8.59 4.20 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 1.16 0.00 0.00 147 F 8.96 5.22 0.00 3.12 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 0.00 148 A 8.63 4.91 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 0.00 149 I 9.40 4.13 1.84 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 1.24 0.76 0.90 0.00 0.00 150 G 9.30 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 0.00 151 S 7.85 4.87 0.00 3.86 3.68 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 0.00 152 L 8.38 5.22 0.00 1.56 1.53 0.87 0.36 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 0.00 153 L 8.08 5.00 0.00 1.69 1.75 0.95 0.72 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 0.00 154 D 7.78 4.92 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 9.11 3.68 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 0.00 0.00 0.00 156 N 7.76 4.73 0.00 2.66 2.70 0.00 0.00 6.73 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 0.00 157 G 8.69 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 0.00 158 K 7.88 5.05 0.00 1.50 1.54 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.88 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 0.69 7.81 159 K 9.23 4.26 0.00 1.53 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.01 7.81 160 I 8.55 3.18 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 1.20 1.08 0.91 0.00 0.00 *163 D 9.53 4.36 0.00 2.62 2.63 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 0.00 164 N 8.64 4.62 0.00 2.73 2.85 0.00 0.00 6.76 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.33 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.85 3.99 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 167 T 7.99 3.77 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 1.28 0.00 0.00 168 Q 8.55 4.30 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 169 K 7.54 4.13 0.00 1.85 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 170 L 8.15 4.05 0.00 1.87 1.88 0.25 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.41 4.38 0.00 1.99 1.74 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *173 F 7.85 4.81 0.00 3.32 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 *175 P 0.00 4.42 0.00 2.00 2.06 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 176 G 8.88 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 0.00 177 D 7.84 4.59 0.00 2.35 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.77 5.37 0.00 1.85 1.88 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 2.24 2.44 0.00 179 V 8.89 4.45 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 0.70 0.00 0.00 0.97 0.00 0.00 180 Q 8.95 4.36 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 181 V 8.61 4.33 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 0.84 0.00 0.00 0.92 0.00 0.00 182 K 10.10 4.42 0.00 1.74 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.47 7.81 183 G 7.41 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 0.00 184 N 7.91 4.73 0.00 2.75 2.64 0.00 0.00 6.47 7.67 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 0.00 185 V 7.60 3.80 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 0.91 0.00 0.00 0.92 0.00 0.00 186 V 8.76 4.44 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 0.93 0.00 0.00 1.07 0.00 0.00 187 K 7.92 5.25 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 188 V 9.02 4.98 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 0.78 0.00 0.00 1.00 0.00 0.00 189 D 9.08 5.07 0.00 2.65 2.60 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 0.00 0.00 0.00 0.00 190 S 9.01 5.23 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.55 4.69 0.00 1.67 1.64 0.95 1.02 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 0.00 192 N 8.97 4.90 0.00 3.03 3.15 0.00 0.00 6.60 8.91 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 0.00 193 D 8.76 4.30 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.43 4.17 0.00 2.96 3.01 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 0.00 0.00 0.00 195 G 8.43 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 0.00 0.00 0.00 196 E 8.78 4.47 0.00 2.07 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 2.31 2.34 0.00 197 L 8.64 4.81 0.00 1.66 1.61 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 198 Q 9.14 4.62 0.00 1.69 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 199 T 7.74 4.78 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 1.08 0.00 0.00 200 W 8.81 4.91 0.00 3.18 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 0.00 201 T 8.73 4.83 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 1.25 0.00 0.00 202 I 8.08 4.14 2.10 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 1.13 0.84 1.01 0.00 0.00 203 N 9.46 4.32 0.00 2.96 2.93 0.00 0.00 7.68 5.12 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 0.00 204 K 8.30 4.41 0.00 1.78 1.75 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.55 7.81 205 K 8.61 4.21 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.