NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.0260 8.3301 115.2821 57.5394 64.1845 173.4290 2 A 4.1482 8.1357 127.0626 51.1371 19.0167 174.9227 3 N 4.4593 8.4747 114.6579 52.8369 42.1367 173.2260 4 E 4.0066 8.9947 125.1830 59.1983 28.1984 177.6647 5 N 4.8163 8.8036 114.9387 52.7953 39.4158 174.2858 6 N 4.9041 8.5274 117.7891 53.3837 40.0459 173.8620 7 L 4.9048 9.1754 122.1810 53.2543 44.8053 175.4828 8 I 4.8320 8.5503 124.3395 59.9015 38.9405 174.5908 9 W 5.2094 9.7025 127.8611 55.0502 31.4473 175.1387 10 I 5.2411 8.6583 123.3791 59.6453 41.4257 173.7703 11 D 4.8030 9.1985 126.4909 52.8376 44.5292 174.1883 12 L 5.3131 9.0800 125.3266 53.1307 45.0604 175.0724 13 E 4.7427 8.7428 119.2421 54.9002 33.5396 177.1815 *15 T 4.2744 8.6143 109.7924 61.1107 70.5792 173.4600 16 G 4.0888 7.2703 107.7362 46.2181 0.0000 172.7112 17 L 4.4706 8.8071 117.6356 54.8188 42.0874 176.2352 18 D 4.8759 8.6010 120.3003 51.6600 41.5566 174.8230 19 P 3.2144 0.0000 0.0000 65.3189 31.4764 178.8233 20 E 4.0765 8.6525 117.3888 58.3620 29.4621 177.8327 21 R 4.5542 7.3386 112.1963 55.8587 32.2571 175.4445 22 D 5.0054 8.9173 118.2940 52.8135 42.8955 175.1474 23 R 4.3815 8.2933 118.6397 54.1603 33.7883 175.4431 24 I 4.1103 7.9008 120.4798 61.0872 37.9324 176.0706 25 I 4.5906 8.6252 117.4476 60.8054 39.7852 174.7212 26 E 5.1983 7.6439 122.6443 55.2569 33.1801 173.3739 27 I 5.0879 8.9412 125.9998 59.2848 41.9410 173.6898 28 A 5.1023 8.8417 129.5833 50.5347 22.7107 174.9884 29 T 5.2884 8.3174 110.6384 60.1693 72.9916 172.4503 30 L 5.0679 9.2361 123.7355 53.7706 46.5022 174.5713 31 V 5.1817 8.6632 123.5811 61.3458 34.6177 174.4940 32 T 5.1366 9.1686 117.1670 59.7782 72.7881 172.6187 33 D 5.5610 8.9250 121.3161 51.1951 41.1915 177.4004 34 A 4.2533 7.8672 122.2841 55.0380 18.3532 178.3995 35 N 4.8292 8.2997 111.0813 53.0864 38.8204 175.3817 36 L 3.7798 8.5809 116.4630 55.2346 39.8557 174.1985 37 N 4.4756 8.9874 118.3785 52.2717 38.2867 174.7185 38 I 3.7303 8.1742 125.1437 61.4528 36.3292 175.5632 39 L 4.2470 7.6667 128.2521 55.4187 41.0478 176.8825 40 A 4.6538 6.8390 118.1346 50.0689 23.0149 174.2742 41 E 4.5167 8.7529 120.6534 55.2623 31.1066 177.0823 42 G 2.4387 8.3209 112.4577 44.0029 0.0000 170.5829 43 P 4.2896 0.0000 0.0000 62.5937 31.8226 175.7742 44 T 4.4224 8.3133 120.3820 62.7701 69.1089 174.0212 45 I 4.4920 8.8232 128.4202 59.2113 39.9982 174.8970 46 A 4.5972 8.5658 129.1927 51.1317 19.3656 176.6963 47 V 3.9432 8.5133 124.5471 62.0712 32.1666 175.6812 48 H 4.4511 8.7619 127.6424 56.0198 30.4194 174.1919 49 Q 4.4541 7.7655 123.5945 52.9098 32.9864 175.4997 50 S 4.3082 8.2668 115.4147 58.4949 65.1485 175.2522 51 D 4.3886 8.5621 122.4755 57.4497 40.3438 178.9323 52 E 3.9850 8.0436 118.2660 59.2321 29.8244 178.6150 53 Q 4.0893 7.9746 119.6406 59.2964 28.9783 178.3369 54 L 4.0034 7.7939 118.3170 57.5905 41.6694 179.0764 55 A 4.2491 7.8109 119.6455 53.5064 19.4331 178.7521 56 L 4.1939 7.4046 118.8794 52.5879 40.0241 175.4631 *58 D 4.2639 7.5112 122.4681 52.4194 41.1653 177.2090 59 D 4.2207 8.0611 118.4487 57.3308 40.5221 178.9109 60 W 4.6027 7.3804 118.6913 60.2907 29.1016 178.2421 61 N 4.3659 9.0197 116.3282 56.1479 38.0207 177.6380 62 V 3.5887 8.1383 120.0756 66.1204 31.5787 178.2067 63 R 3.8647 8.7122 118.4600 59.6002 30.0078 178.9966 64 T 3.8291 8.1930 115.6183 67.2825 68.5680 176.3746 65 H 4.4401 8.6073 117.3391 58.1358 28.6155 178.0904 66 T 3.9160 7.8884 118.0563 66.2292 68.3060 176.5094 67 A 3.9568 8.0861 122.9954 55.3578 18.3474 179.0292 68 S 3.5501 7.8073 107.8221 59.1258 63.5549 175.3096 69 G 3.8650 8.3935 110.3619 46.3963 0.0000 175.3564 70 L 3.9774 7.6729 121.6680 57.8592 41.9960 178.8239 71 V 3.5532 7.8292 118.3618 66.5127 31.2488 177.9051 72 E 3.9602 8.1424 117.3044 59.4605 29.3042 179.4650 73 R 3.9705 7.5786 117.0932 58.8783 30.0832 179.2602 74 V 3.5482 8.1458 118.6025 66.0961 31.4016 178.3414 75 K 4.1134 8.0947 116.6535 59.2161 31.9171 178.6811 76 A 4.2015 7.6700 119.5828 52.9740 19.1062 177.9317 77 S 4.1641 7.4299 112.3679 58.8364 63.0097 174.6415 78 T 4.1578 8.1103 117.6619 59.7592 67.6745 173.8876 *80 G 3.7746 7.6910 116.9462 44.8142 0.0000 169.5131 81 D 4.4368 8.5098 118.7797 57.6828 40.6318 179.3687 82 R 3.9241 8.0025 118.1208 59.5376 30.1386 178.1592 83 E 3.9478 8.1877 117.5662 59.5264 29.5782 179.1543 84 A 4.0556 8.4231 121.0916 54.7630 18.3489 179.4039 85 E 3.8357 8.5552 118.5082 59.6492 29.9769 179.0039 86 L 4.0012 8.2922 119.1340 57.8089 41.1055 179.5133 87 A 4.0904 8.1111 120.7748 55.3005 18.4379 179.8641 88 T 3.9557 7.9629 114.4359 66.7107 68.5000 177.0442 89 L 3.7712 7.9915 121.0681 57.6641 41.3747 179.3133 90 E 4.0708 7.8842 117.3567 59.1822 29.1637 178.9814 91 F 4.4819 7.9864 119.8585 61.4378 39.4568 177.3411 92 L 3.8337 7.8606 118.3812 57.5492 41.1520 179.4719 93 K 4.0291 8.5689 119.4482 57.9703 31.9421 178.1118 94 Q 4.3681 7.2756 114.5971 55.7404 29.2134 176.0661 95 W 4.9480 8.3888 119.7953 56.7142 32.0633 175.1720 96 V 4.6904 7.5434 116.0844 60.6576 33.8521 171.9155 97 P 4.5089 0.0000 0.0000 61.6508 32.3733 175.4174 98 A 2.7472 7.9324 122.8817 53.1588 18.5904 178.1892 99 G 3.8634 8.2762 110.4794 45.8762 0.0000 174.4757 100 K 4.1690 7.4722 118.3695 57.3998 33.0806 176.9099 101 S 4.8588 7.5904 113.4454 55.7758 64.2874 172.2256 102 P 4.7806 0.0000 0.0000 62.3348 32.6797 175.3470 103 I 3.8052 7.8376 121.2277 60.8830 38.9976 174.1937 104 C 4.7131 9.4310 126.6485 56.7770 30.9156 174.7575 105 G 4.2015 6.7778 108.2331 46.2213 0.0000 169.9042 106 N 5.0455 8.5409 118.5250 52.7108 40.0527 175.0075 107 S 4.4290 9.8711 120.8870 58.3413 61.2950 174.0240 108 I 4.3805 7.1801 114.2581 62.0579 37.6912 176.8101 109 G 3.9816 8.1781 108.4407 48.3084 0.0000 175.3919 110 Q 4.1911 7.9940 121.6177 58.9695 28.9068 178.0137 111 D 4.4836 8.0121 119.6704 57.3407 40.9008 178.4230 112 R 3.7379 8.5456 119.6529 59.4039 29.8680 178.6942 113 R 4.2520 8.1694 117.4773 59.5800 30.0929 179.0861 114 F 4.1200 8.3342 116.4339 60.2074 38.6467 177.8899 115 L 4.0857 7.7689 118.0886 57.8487 41.5154 178.8990 116 F 4.2802 8.0245 116.6519 60.5307 38.9287 177.5307 117 K 3.9394 7.6942 117.8914 59.1089 32.0894 178.3295 118 Y 4.7470 7.8630 114.8251 57.5115 39.1170 174.9387 *120 P 4.4722 0.0000 0.0000 62.8097 33.4693 178.2937 121 E 3.9587 8.4420 118.1916 59.0298 29.9829 177.9881 122 L 4.1135 8.7336 120.9247 57.9372 42.1636 178.4599 123 E 3.9598 8.2402 118.6234 59.3973 29.4571 178.5569 124 A 4.1470 7.9927 118.8932 54.8989 18.2949 178.4802 125 Y 3.9370 8.0146 117.8652 59.0330 38.8070 175.5542 126 F 4.4759 7.5435 117.9125 56.5739 40.0007 174.9679 127 H 4.5329 9.4580 124.0737 55.8721 30.2273 176.1448 128 Y 4.2722 7.9763 121.1161 59.4427 38.2289 176.6493 129 R 4.4359 6.9463 120.3697 56.2012 31.7279 174.8807 130 Y 4.6632 8.6730 117.9459 56.3422 40.5488 176.0951 131 L 4.4723 8.7700 126.8154 53.1877 42.7437 172.5245 132 D 4.9142 8.1218 121.8539 52.3870 42.0438 176.5639 133 V 3.6848 8.7775 127.5389 66.1098 31.5216 177.9262 134 S 4.1844 8.2725 114.1670 61.2843 62.7259 176.4277 135 T 3.8135 7.8611 119.1012 66.4237 68.0249 176.6339 136 L 3.9399 7.5998 120.7501 57.4227 41.4923 179.6661 137 K 3.4400 7.3451 117.9489 59.3168 31.5989 178.8371 138 E 3.8116 8.0481 119.4817 59.1588 29.3572 178.8961 139 L 3.3962 7.4312 118.4329 57.2985 41.6608 179.2287 140 A 3.5031 7.6730 121.0012 54.8609 17.9656 179.6851 141 R 3.9697 8.0066 116.7681 59.1670 30.1519 178.2797 142 R 4.3126 7.2725 115.9730 57.1440 30.6291 177.6889 143 W 5.0508 8.1577 116.5402 56.5001 31.8544 176.4725 144 K 4.7593 8.6705 119.4081 53.5445 33.1156 174.3681 145 P 4.3263 0.0000 0.0000 66.0099 31.2384 177.9730 146 E 3.9816 8.3509 117.6485 59.0419 29.1174 178.1048 147 I 4.2345 7.4922 110.4705 61.2233 37.9178 177.5078 148 L 4.0572 8.1139 124.2642 58.5190 41.8698 178.2071 149 D 4.6705 8.1009 116.3514 55.3429 39.6788 177.9515 150 G 4.1154 7.6704 107.2260 44.9273 0.0000 172.9886 151 F 4.2578 7.1189 121.3839 56.3629 41.0650 174.1114 152 T 4.4968 7.6258 124.1490 61.4892 70.9010 173.6641 153 K 4.5423 8.1151 123.7076 54.5473 34.0358 176.2299 154 Q 3.9028 8.8135 124.3569 59.2864 29.1301 177.9521 155 G 3.5531 7.9866 101.8809 46.2965 0.0000 172.3884 156 T 4.2199 7.3628 108.1149 60.9507 70.8866 174.3142 157 H 4.6828 8.4415 116.4744 56.2398 28.8862 175.3202 158 Q 4.3918 7.7122 120.7088 54.3121 29.6546 177.7110 159 A 3.9227 8.4813 125.3556 52.6012 18.2232 178.5459 *161 D 4.5181 8.2810 120.5052 56.0084 43.1463 177.3825 162 D 4.4325 7.7176 117.7341 57.2108 40.6006 178.9676 163 I 3.7607 7.6264 119.9101 64.6057 37.1706 178.6053 164 R 3.7216 7.9169 118.3423 59.2698 29.7959 178.6156 165 E 4.0625 8.2638 119.0977 59.2956 29.6222 179.1118 166 S 4.1984 8.1493 115.4571 61.3239 62.9160 176.7411 167 V 2.5225 7.4921 120.7667 65.6831 31.1926 177.9652 168 A 4.0099 8.2001 120.8649 55.1119 18.1877 179.2418 169 E 2.5400 8.2234 118.0312 58.8697 29.6385 178.8249 170 L 4.1935 8.1274 120.2769 58.1162 42.0645 178.7899 171 A 4.0461 8.1907 120.8688 55.2057 18.1646 178.9642 172 Y 3.9632 7.9970 118.1075 61.1869 38.7731 178.0280 173 Y 4.1229 8.1225 117.4975 60.7668 36.3510 178.1678 174 R 3.9365 8.2709 120.0630 59.0474 29.8910 177.8729 175 E 4.2813 7.7238 118.2200 58.0945 30.0323 176.9721 176 H 4.7386 7.7156 113.2228 55.7112 29.5394 175.1990 177 F 5.1212 8.6303 120.7708 57.7870 41.4585 174.6227 178 I 4.2792 7.2878 119.6908 59.0799 38.6045 175.2563 179 K 4.4035 8.2599 123.6257 54.9050 33.0811 176.1592 180 L 4.1643 8.3865 123.0220 54.9470 41.5982 177.2598 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 8.33 4.03 0.00 3.85 3.77 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 2 A 8.14 4.15 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 3 N 8.47 4.46 0.00 2.72 2.86 0.00 0.00 6.57 7.65 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 4 E 8.99 4.01 0.00 2.10 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 2.30 2.38 0.00 5 N 8.80 4.82 0.00 2.87 2.88 0.00 0.00 6.90 6.95 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 6 N 8.53 4.90 0.00 2.78 2.92 0.00 0.00 6.86 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 7 L 9.18 4.90 0.00 1.83 1.50 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.55 4.83 2.05 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 1.07 0.00 0.00 9 W 9.70 5.21 0.00 3.26 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 10 I 8.66 5.24 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.14 0.88 0.00 0.00 11 D 9.20 4.80 0.00 2.77 2.46 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 12 L 9.08 5.31 0.00 1.57 1.46 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.74 4.74 0.00 1.77 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 2.21 2.49 0.00 *15 T 8.61 4.27 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 1.21 0.00 0.00 16 G 7.27 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 17 L 8.81 4.47 0.00 1.77 1.84 0.95 0.97 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 18 D 8.60 4.88 0.00 2.74 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 19 P 0.00 3.21 0.00 1.87 1.35 0.00 3.51 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.03 0.00 20 E 8.65 4.08 0.00 2.08 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 2.28 2.39 0.00 21 R 7.34 4.55 0.00 1.86 1.98 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 22 D 8.92 5.01 0.00 3.21 2.84 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 23 R 8.29 4.38 0.00 1.64 1.51 0.00 2.39 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 24 I 7.90 4.11 1.85 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.89 0.00 0.00 25 I 8.63 4.59 1.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.09 0.82 0.00 0.00 26 E 7.64 5.20 0.00 1.99 1.73 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 2.26 2.40 0.00 27 I 8.94 5.09 1.88 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 1.18 1.30 0.91 0.00 0.00 28 A 8.84 5.10 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 29 T 8.32 5.29 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 1.33 0.00 0.00 30 L 9.24 5.07 0.00 1.67 1.55 0.80 1.05 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 31 V 8.66 5.18 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 1.05 0.00 0.00 0.82 0.00 0.00 32 T 9.17 5.14 4.38 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 1.03 0.00 0.00 33 D 8.92 5.56 0.00 2.90 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 34 A 7.87 4.25 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 35 N 8.30 4.83 0.00 2.75 2.85 0.00 0.00 7.02 7.85 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 36 L 8.58 3.78 0.00 1.80 1.83 1.01 1.26 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 37 N 8.99 4.48 0.00 3.07 2.78 0.00 0.00 7.03 7.35 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 38 I 8.17 3.73 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.33 0.80 0.00 0.00 39 L 7.67 4.25 0.00 1.11 1.25 1.23 0.85 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 40 A 6.84 4.65 0.59 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 41 E 8.75 4.52 0.00 1.88 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 2.16 2.19 0.00 42 G 8.32 2.44 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 0.00 0.00 0.00 0.00 43 P 0.00 4.29 0.00 2.10 1.96 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 44 T 8.31 4.42 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 1.18 0.00 0.00 45 I 8.82 4.49 1.85 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 1.13 0.93 0.90 0.00 0.00 46 A 8.57 4.60 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 47 V 8.51 3.94 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 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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 66 T 7.89 3.92 4.36 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 1.20 0.00 0.00 67 A 8.09 3.96 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 68 S 7.81 3.55 0.00 3.92 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 69 G 8.39 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 0.00 0.00 0.00 70 L 7.67 3.98 0.00 1.82 1.86 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.83 3.55 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 1.04 0.00 0.00 0.95 0.00 0.00 72 E 8.14 3.96 0.00 2.01 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 2.39 2.34 0.00 73 R 7.58 3.97 0.00 2.08 1.96 0.00 3.11 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 74 V 8.15 3.55 2.23 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 1.04 0.00 0.00 0.98 0.00 0.00 75 K 8.09 4.11 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 76 A 7.67 4.20 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 77 S 7.43 4.16 0.00 3.99 3.97 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 78 T 8.11 4.16 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 *80 G 7.69 3.77 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 0.00 0.00 0.00 81 D 8.51 4.44 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.00 3.92 0.00 1.96 1.95 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.54 4.48 0.00 3.08 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 0.00 127 H 9.46 4.53 0.00 3.16 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.98 4.27 0.00 3.13 3.07 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 0.00 0.00 0.00 129 R 6.95 4.44 0.00 1.70 1.82 0.00 2.86 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.00 130 Y 8.67 4.66 0.00 2.64 2.80 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 0.00 131 L 8.77 4.47 0.00 1.51 1.21 0.75 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.12 4.91 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.78 3.68 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 1.14 0.00 0.00 1.25 0.00 0.00 134 S 8.27 4.18 0.00 4.08 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 0.00 135 T 7.86 3.81 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 1.14 0.00 0.00 136 L 7.60 3.94 0.00 1.51 1.24 1.02 0.97 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 0.00 137 K 7.35 3.44 0.00 1.81 1.76 0.00 1.79 0.00 0.00 2.13 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.43 7.81 138 E 8.05 3.81 0.00 2.05 1.93 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 2.20 2.24 0.00 139 L 7.43 3.40 0.00 1.83 1.42 0.81 -0.13 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 0.00 140 A 7.67 3.50 0.68 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 0.00 141 R 8.01 3.97 0.00 1.82 2.02 0.00 3.23 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 142 R 7.27 4.31 0.00 1.46 1.95 0.00 3.04 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 143 W 8.16 5.05 0.00 3.62 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 0.00 144 K 8.67 4.76 0.00 2.05 1.90 0.00 1.98 0.00 0.00 2.07 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.60 7.81 145 P 0.00 4.33 0.00 2.33 2.52 0.00 3.86 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 2.13 2.12 0.00 146 E 8.35 3.98 0.00 1.99 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 2.48 0.00 147 I 7.49 4.23 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.99 0.97 0.00 0.00 148 L 8.11 4.06 0.00 2.10 1.73 1.00 1.40 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 0.00 149 D 8.10 4.67 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 0.00 150 G 7.67 4.12 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 0.00 0.00 0.00 151 F 7.12 4.26 0.00 1.51 2.40 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 0.00 152 T 7.63 4.50 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 1.10 0.00 0.00 153 K 8.12 4.54 0.00 1.71 1.93 0.00 1.84 0.00 0.00 1.99 0.00 0.00 3.32 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.52 7.81 154 Q 8.81 3.90 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 155 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.36 4.22 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 1.21 0.00 0.00 157 H 8.44 4.68 0.00 3.17 3.33 0.00 5.69 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 0.00 158 Q 7.71 4.39 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 159 A 8.48 3.92 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 *161 D 8.28 4.52 0.00 2.69 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 0.00 162 D 7.72 4.43 0.00 2.94 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 0.00 163 I 7.63 3.76 1.86 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 1.61 0.79 0.96 0.00 0.00 164 R 7.92 3.72 0.00 1.79 1.91 0.00 3.07 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 165 E 8.26 4.06 0.00 2.25 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 0.00 2.49 2.39 0.00 166 S 8.15 4.20 0.00 4.19 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 0.00 167 V 7.49 2.52 1.85 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 0.65 0.00 0.00 -0.53 0.00 0.00 168 A 8.20 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 2.54 0.00 1.79 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 2.40 1.76 0.00 170 L 8.13 4.19 0.00 2.15 2.01 1.09 1.15 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 0.00 171 A 8.19 4.05 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 0.00 172 Y 8.00 3.96 0.00 2.95 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 0.00 173 Y 8.12 4.12 0.00 3.26 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 0.00 174 R 8.27 3.94 0.00 2.05 2.16 0.00 3.11 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 175 E 7.72 4.28 0.00 1.85 1.65 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 2.03 2.22 0.00 176 H 7.72 4.74 0.00 2.70 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 F 8.63 5.12 0.00 3.03 3.38 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 0.00 178 I 7.29 4.28 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.09 0.91 0.00 0.00 179 K 8.26 4.40 0.00 1.81 1.80 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.39 7.81 180 L 8.39 4.16 0.00 1.66 1.62 0.93 0.91 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 * Residues marked with a * may have inaccurate shift predictions.