NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9711 8.3549 109.7371 45.5266 0.0000 172.4535 2 L 4.4079 8.0253 118.3357 50.8834 43.4472 175.8947 3 S 4.4647 9.6537 119.1023 57.9857 65.9955 175.0121 4 D 4.6589 8.7673 122.1587 57.6872 40.5639 179.3259 5 G 3.6627 8.1322 105.6033 47.8458 0.0000 175.4260 6 E 3.9044 8.3091 120.9016 59.0101 29.4391 179.3960 7 W 4.3723 8.2242 119.1425 59.9024 29.0635 178.3088 8 Q 4.0689 8.5524 119.6320 59.3102 28.4118 178.4053 9 Q 4.0348 8.2037 119.1257 58.8552 28.7198 178.7573 10 V 3.6977 8.0412 119.3370 66.3286 31.5082 178.0961 11 L 4.2608 8.3749 118.1619 57.0623 41.2530 179.0503 12 N 4.3231 8.2301 116.9729 56.7301 39.3086 176.5733 13 V 3.7208 8.2269 120.0921 65.9610 31.5619 177.7836 14 W 4.1853 8.6265 128.1206 60.1794 29.9633 178.0144 15 G 3.6893 8.0432 105.8729 47.6864 0.0000 175.8319 16 K 3.8558 7.6251 119.8251 59.1717 32.3410 179.1740 17 V 2.8085 6.9990 117.9058 65.8006 31.0714 177.7785 18 E 3.8627 7.5546 116.2064 58.6906 29.2681 178.8115 19 A 4.1975 7.2630 119.5635 54.0311 19.7592 177.6602 20 D 4.6557 7.7905 116.3667 52.3773 42.9271 175.2514 21 I 3.5820 7.8917 123.5368 63.5551 38.5944 176.5270 22 A 4.1633 7.4660 122.6483 54.4823 18.2336 179.6910 23 G 3.6604 8.1805 105.4065 47.7794 0.0000 175.6171 24 H 4.1298 8.3800 119.3248 58.3351 28.7154 178.1832 25 G 3.5220 8.4525 107.8770 47.6988 0.0000 175.3203 26 Q 3.8419 8.4339 122.6606 59.1058 28.9877 178.5263 27 E 3.8603 8.1335 119.3669 59.1476 29.3263 179.5277 28 V 3.5091 7.8898 118.4805 66.0745 31.5378 178.1894 29 L 3.4202 7.7002 118.5967 57.4756 41.2263 179.5739 30 I 3.5512 7.7358 120.1443 64.1609 37.0431 178.3101 31 R 3.7738 8.0734 119.8637 59.2862 29.8925 178.1029 32 L 3.9507 7.9204 120.2350 58.4555 41.7659 179.1117 33 F 4.5938 8.1376 118.1603 60.7492 38.5989 177.9062 34 T 4.0626 8.1804 109.1718 64.6769 68.8635 176.9068 35 G 3.6126 7.9570 107.4753 46.2812 0.0000 173.7645 36 H 4.7634 7.9791 117.6637 52.1664 29.8017 171.9738 37 P 4.4652 0.0000 0.0000 64.3741 31.3597 177.5354 38 E 4.0953 8.2543 116.5054 59.5282 29.3601 179.1659 39 T 3.8422 8.1658 111.1756 64.5072 68.8652 176.3531 40 L 3.5422 7.8581 122.9970 57.8423 41.7772 178.7091 41 E 4.1324 7.8524 117.5226 58.6310 29.4509 178.7464 42 K 4.4573 8.0505 117.4450 57.0209 32.8122 177.4555 43 F 4.6169 8.1514 119.1064 55.3413 39.0197 175.4004 44 D 4.4148 8.5991 124.9647 57.2364 40.8473 179.0286 45 K 4.1065 7.8041 114.3661 57.4492 33.1076 176.8829 46 F 5.0702 7.9979 117.6293 57.1271 40.6388 176.7660 47 K 4.0874 7.6214 119.5453 58.7547 32.4581 177.7905 48 H 4.2899 8.0756 114.5817 57.3551 28.8426 175.2722 49 L 4.1330 7.5461 121.1052 54.4067 40.8062 176.5660 50 K 4.3248 9.3978 124.6331 57.1457 33.2317 177.6681 51 T 4.7375 7.5254 108.1622 58.8736 73.2273 174.1877 52 E 3.9162 8.6977 121.7245 59.2611 29.6418 178.8709 53 A 3.9560 7.9678 120.4132 55.3273 18.2940 179.2449 54 E 3.9519 7.9400 115.6341 59.7554 29.8205 179.2913 55 M 4.1561 8.0107 118.6665 58.3685 31.8599 178.7591 56 K 3.9121 8.4118 118.4448 59.0326 32.4365 177.7915 57 A 4.4996 7.7008 118.4766 51.5317 19.0358 176.9867 58 S 4.3850 7.5926 113.8645 57.2963 62.4749 174.6816 59 E 4.0458 8.7822 128.8204 59.2954 29.2061 178.6714 60 D 4.4561 8.1750 117.9345 56.9233 41.3232 177.8441 61 L 3.6093 8.0965 121.2822 57.7596 41.9896 178.7764 62 K 3.8611 7.7953 119.7488 59.2837 32.1129 178.5364 63 K 3.9166 8.2619 119.9012 59.9542 32.0936 178.1501 64 H 4.3617 8.8826 118.9846 59.3040 29.7712 177.2903 65 G 3.6240 8.5702 107.9516 48.0884 0.0000 175.6621 66 T 3.8787 8.1398 118.1075 66.4117 68.5022 176.7654 67 V 3.6692 7.6840 120.0080 65.9547 31.5323 178.1927 68 V 3.6113 8.0040 118.1498 66.2659 31.4319 178.1024 69 L 4.2636 8.1981 118.5020 57.7874 41.4345 179.6450 70 T 4.0161 8.2390 115.9881 66.4303 68.3503 176.5099 71 A 3.9972 8.1257 122.7168 55.1138 18.4347 179.4157 72 L 3.7239 8.1805 119.1162 58.1281 42.1232 179.4081 73 G 3.0708 8.5532 106.2103 47.3774 0.0000 175.6957 74 G 3.6899 7.8651 107.1731 47.6881 0.0000 175.4866 75 I 3.8415 7.5646 122.2631 64.1016 37.0764 178.5741 76 L 3.9598 7.8739 120.1508 57.6505 41.1827 179.5017 77 K 3.9340 7.6793 116.6022 58.1721 32.2560 178.6656 78 K 3.9518 7.9297 118.4977 55.9862 32.5669 176.5732 79 K 2.0000 8.4379 118.4634 56.3586 29.7638 175.7775 80 G 3.9227 7.8804 106.2849 45.7610 0.0000 173.8973 81 H 4.5615 7.3426 119.1146 55.4433 27.6035 174.9355 82 H 5.3698 7.3426 110.6509 54.1525 29.7919 175.7703 83 E 3.9221 8.6392 122.4776 60.2592 28.9749 178.7579 84 A 3.9958 7.8956 118.5881 55.1630 17.6226 178.9826 85 E 4.0932 8.1096 116.7349 59.1531 29.6263 178.8977 86 L 4.1952 8.4472 120.6950 57.3765 42.2094 178.3532 87 K 3.8314 8.2750 120.2655 59.2815 32.0516 176.8829 88 P 4.2444 0.0000 0.0000 65.8006 31.0831 178.3312 89 L 4.0313 7.5318 115.7493 57.5346 41.5707 179.0667 90 A 4.0735 8.2607 121.0482 55.5457 18.2571 179.8040 91 Q 3.9253 8.4147 116.8911 58.9648 28.7049 179.0291 92 S 4.0455 8.3508 115.5817 61.7191 63.1002 176.3306 93 H 4.1291 8.6176 119.6935 58.1614 28.3974 177.7292 94 A 2.5800 7.8601 122.6495 54.8518 17.9974 179.7271 95 T 3.8098 7.5612 112.8241 65.4272 68.8263 176.3996 96 K 4.0329 7.4574 120.2045 58.9871 32.6775 177.2695 97 H 4.3725 7.9049 113.5659 55.8233 29.4813 175.3352 98 K 3.7052 7.4152 116.9859 56.2261 29.0369 176.5479 99 I 4.2815 7.9768 119.4696 58.7797 37.7166 174.9753 100 P 4.5386 0.0000 0.0000 62.3441 31.9440 177.3221 101 I 3.5620 8.6290 119.5295 64.1790 37.6489 177.8167 102 K 3.5813 8.0393 120.0678 59.9657 31.7362 178.0714 103 Y 4.1521 8.1161 116.7099 60.8709 37.7576 178.3008 104 L 4.1372 7.8735 119.8053 57.4267 41.6906 178.8088 105 E 3.9403 7.9719 119.3665 59.3767 29.5476 178.7248 106 F 4.5043 8.0158 117.8802 61.0171 38.9869 177.6531 107 I 3.8578 8.3042 118.0131 63.8003 37.8186 178.0911 108 S 4.2056 8.3142 116.3603 61.8101 62.7289 176.3006 109 D 4.4650 8.4867 121.3661 57.3736 40.5003 178.7318 110 A 4.0570 8.3218 121.4003 55.1688 18.3208 179.6993 111 I 3.6701 8.0469 118.3414 64.6632 37.3390 178.6875 112 I 3.8595 7.7841 120.3839 64.6042 36.8702 177.9151 113 H 4.1457 8.4568 119.0148 59.4297 29.7156 177.3589 114 V 3.5281 8.1975 120.3489 65.9595 31.3698 177.8610 115 L 3.8124 7.9810 118.6667 58.1836 41.1433 179.3106 116 H 4.3555 7.8819 114.5112 58.9202 28.7019 177.5725 117 S 4.1768 7.9976 114.4008 61.1043 62.3379 175.8414 118 K 4.0951 8.1732 119.8010 57.6141 33.2527 176.6728 119 H 4.9522 7.8539 116.1768 53.6890 29.4172 171.9282 120 P 4.5197 0.0000 0.0000 64.1688 31.9034 177.5686 121 G 3.9924 9.1662 110.9040 45.6124 0.0000 172.9495 122 D 4.9879 8.2693 118.0910 53.7477 41.5779 176.1906 123 F 4.9918 7.9469 119.7162 54.8757 39.3983 174.5587 124 G 3.8307 8.0310 112.6174 43.2715 0.0000 170.7478 125 A 3.9155 8.3660 121.6045 55.0194 18.2047 179.6238 126 D 4.2043 7.9614 116.9038 56.5295 39.5234 178.4247 127 A 3.9668 7.8316 121.9973 54.8416 18.4122 179.1996 128 Q 3.5325 7.9385 118.5241 58.9387 29.0238 178.6095 129 G 3.5479 7.9995 106.5405 47.6985 0.0000 175.5448 130 A 3.8486 8.0850 123.4610 55.0620 18.3925 179.3627 131 M 4.0403 8.4235 117.1464 59.0756 32.2201 178.5290 132 T 3.8883 8.1465 115.9043 66.6378 68.6142 176.5598 133 K 3.8210 8.0787 120.0952 59.5441 32.0512 179.2377 134 A 3.8388 7.8348 120.7875 55.1352 18.2238 179.7593 135 L 4.0775 8.2405 117.7544 57.8943 41.6851 179.6009 136 E 3.9955 8.6537 119.1650 59.0707 29.2787 179.0372 137 L 3.9327 8.1745 120.5496 58.1393 42.2372 178.4084 138 F 4.1413 8.3828 120.5711 61.6843 39.1977 177.0414 139 R 3.5822 8.3905 118.0753 59.4369 29.8752 178.0271 140 N 4.2683 8.6626 117.1447 56.7603 38.8250 176.6767 141 D 4.3584 8.4136 120.7199 57.1796 40.8125 178.8229 142 I 3.4485 7.5405 120.2243 64.1402 36.9423 178.1117 143 A 3.7628 8.0602 121.7750 55.0807 18.1105 179.4775 144 A 3.9412 7.8864 119.0768 55.3947 18.5214 180.0883 145 K 4.0119 7.8320 117.0912 59.6770 32.0373 179.1468 146 Y 4.2621 8.5836 117.5850 61.1558 37.8422 178.7152 147 K 3.9667 8.5756 120.8387 59.4366 32.0596 178.2223 148 E 3.9516 8.0484 118.6871 59.3243 29.6608 178.2638 149 L 4.3358 7.8246 115.8839 54.3127 41.9826 177.1610 150 G 3.9134 7.8611 106.8314 46.2586 0.0000 173.3199 151 F 4.2786 8.2549 122.2330 58.1787 39.9912 175.4857 152 Q 3.5420 7.8165 125.6608 56.0664 27.8661 173.1877 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 G 8.35 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 0.00 0.00 0.00 2 L 8.03 4.41 0.00 0.42 0.64 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.65 4.46 0.00 4.03 3.98 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 4 D 8.77 4.66 0.00 2.77 2.85 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 5 G 8.13 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 6 E 8.31 3.90 0.00 2.01 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 2.23 2.27 0.00 7 W 8.22 4.37 0.00 3.56 3.19 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 8 Q 8.55 4.07 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.20 4.03 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 10 V 8.04 3.70 2.49 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 1.18 0.00 0.00 0.87 0.00 0.00 11 L 8.37 4.26 0.00 1.84 1.79 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.23 4.32 0.00 2.87 3.04 0.00 0.00 7.11 7.24 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 13 V 8.23 3.72 2.37 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 0.83 0.00 0.00 1.19 0.00 0.00 14 W 8.63 4.19 0.00 3.61 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.04 3.69 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 0.00 0.00 0.00 16 K 7.63 3.86 0.00 1.56 1.47 0.00 1.49 0.00 0.00 1.17 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.37 7.81 17 V 7.00 2.81 0.67 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 -0.01 0.00 0.00 0.19 0.00 0.00 18 E 7.55 3.86 0.00 1.99 1.94 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 2.29 2.14 0.00 19 A 7.26 4.20 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 20 D 7.79 4.66 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.89 3.58 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 0.89 0.00 0.00 22 A 7.47 4.16 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 23 G 8.18 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 24 H 8.38 4.13 0.00 3.18 3.22 0.00 5.82 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 25 G 8.45 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 3.84 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 27 E 8.13 3.86 0.00 1.96 1.90 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 2.24 2.39 0.00 28 V 7.89 3.51 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 1.10 0.00 0.00 0.94 0.00 0.00 29 L 7.70 3.42 0.00 1.42 0.65 0.79 0.37 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 30 I 7.74 3.55 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.87 0.00 0.00 31 R 8.07 3.77 0.00 1.91 2.08 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 L 7.92 3.95 0.00 1.79 1.50 1.08 1.26 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 33 F 8.14 4.59 0.00 2.96 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 34 T 8.18 4.06 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 1.23 0.00 0.00 35 G 7.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.98 4.76 0.00 3.02 3.04 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.14 2.10 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.25 4.10 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.54 0.00 39 T 8.17 3.84 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 40 L 7.86 3.54 0.00 1.36 1.71 -0.22 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 4.13 0.00 2.20 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 2.38 2.53 0.00 42 K 8.05 4.46 0.00 1.92 1.78 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.75 1.98 7.81 43 F 8.15 4.62 0.00 3.25 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 44 D 8.60 4.41 0.00 2.67 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 45 K 7.80 4.11 0.00 1.59 1.72 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.89 0.21 7.81 46 F 8.00 5.07 0.00 2.82 2.66 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 47 K 7.62 4.09 0.00 1.73 1.94 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.77 1.40 7.81 48 H 8.08 4.29 0.00 3.28 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.55 4.13 0.00 1.61 1.60 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.40 4.32 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.51 7.81 51 T 7.53 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.70 3.92 0.00 2.04 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 2.35 2.36 0.00 53 A 7.97 3.96 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 54 E 7.94 3.95 0.00 2.13 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 2.36 2.36 0.00 55 M 8.01 4.16 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 56 K 8.41 3.91 0.00 1.75 1.95 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.70 4.50 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 58 S 7.59 4.38 0.00 4.04 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 59 E 8.78 4.05 0.00 2.06 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 2.42 2.32 0.00 60 D 8.17 4.46 0.00 2.91 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 61 L 8.10 3.61 0.00 1.45 1.65 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.86 0.00 1.88 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.58 7.81 63 K 8.26 3.92 0.00 2.02 2.13 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.88 4.36 0.00 3.68 3.54 0.00 5.84 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 65 G 8.57 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 0.00 0.00 0.00 66 T 8.14 3.88 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 1.23 0.00 0.00 67 V 7.68 3.67 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 1.06 0.00 0.00 1.03 0.00 0.00 68 V 8.00 3.61 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 1.06 0.00 0.00 0.96 0.00 0.00 69 L 8.20 4.26 0.00 1.86 1.85 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.24 4.02 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.13 4.00 1.45 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 0.00 0.00 0.00 72 L 8.18 3.72 0.00 1.61 1.79 0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 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 0.00 0.00 0.00 74 G 7.87 3.69 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 0.00 0.00 0.00 75 I 7.56 3.84 1.89 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 1.55 0.93 0.96 0.00 0.00 76 L 7.87 3.96 0.00 1.19 1.54 0.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.93 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 K 7.93 3.95 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.74 7.81 79 K 8.44 2.00 0.00 1.17 0.74 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.45 1.00 7.81 80 G 7.88 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 81 H 7.34 4.56 0.00 3.16 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.34 5.37 0.00 3.27 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.92 0.00 2.12 2.03 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 2.40 2.48 0.00 84 A 7.90 4.00 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 85 E 8.11 4.09 0.00 2.24 2.03 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 2.39 2.43 0.00 86 L 8.45 4.20 0.00 1.65 1.70 0.67 0.44 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 87 K 8.28 3.83 0.00 2.06 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.32 2.31 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 89 L 7.53 4.03 0.00 1.90 1.78 1.06 0.77 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 90 A 8.26 4.07 1.40 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 0.00 0.00 91 Q 8.41 3.93 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 92 S 8.35 4.05 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.62 4.13 0.00 3.49 3.56 0.00 5.81 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 94 A 7.86 2.58 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.56 3.81 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 1.11 0.00 0.00 96 K 7.46 4.03 0.00 1.53 1.55 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 7.90 4.37 0.00 3.17 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.42 3.71 0.00 1.93 1.99 0.00 1.88 0.00 0.00 2.42 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.36 7.81 99 I 7.98 4.28 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.98 1.18 0.00 0.00 100 P 0.00 4.54 0.00 1.87 1.91 0.00 2.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.53 0.00 101 I 8.63 3.56 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.88 0.00 0.00 102 K 8.04 3.58 0.00 1.75 1.64 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 0.51 7.81 103 Y 8.12 4.15 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.87 4.14 0.00 1.81 1.73 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.97 3.94 0.00 1.99 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 2.38 2.38 0.00 106 F 8.02 4.50 0.00 3.28 2.85 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 0.00 107 I 8.30 3.86 2.04 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 1.60 1.63 1.14 0.00 0.00 108 S 8.31 4.21 0.00 4.20 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 0.00 109 D 8.49 4.47 0.00 3.00 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 0.00 110 A 8.32 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.67 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 1.00 0.00 0.00 112 I 7.78 3.86 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 1.16 0.00 0.00 113 H 8.46 4.15 0.00 3.32 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.20 3.53 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 0.94 0.00 0.00 0.99 0.00 0.00 115 L 7.98 3.81 0.00 1.24 0.49 0.51 0.61 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 0.00 116 H 7.88 4.36 0.00 3.37 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.18 0.00 3.70 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 0.00 118 K 8.17 4.10 0.00 1.49 1.44 0.00 1.41 0.00 0.00 1.19 0.00 0.00 2.52 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.26 1.39 7.81 119 H 7.85 4.95 0.00 3.24 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.52 0.00 2.19 2.08 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 121 G 9.17 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 0.00 122 D 8.27 4.99 0.00 2.63 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 0.00 123 F 7.95 4.99 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.03 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 0.00 125 A 8.37 3.92 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 0.00 126 D 7.96 4.20 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 0.00 127 A 7.83 3.97 1.45 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 0.00 0.00 0.00 128 Q 7.94 3.53 0.00 1.16 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 129 G 8.00 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 0.00 130 A 8.09 3.85 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 0.00 131 M 8.42 4.04 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.82 0.00 132 T 8.15 3.89 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 1.23 0.00 0.00 133 K 8.08 3.82 0.00 1.80 1.67 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 7.83 3.84 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 0.00 135 L 8.24 4.08 0.00 1.88 1.82 1.00 1.07 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 0.00 136 E 8.65 4.00 0.00 2.12 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 2.35 2.49 0.00 137 L 8.17 3.93 0.00 1.88 1.98 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.38 4.14 0.00 3.17 3.28 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 0.00 139 R 8.39 3.58 0.00 2.08 2.04 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 N 8.66 4.27 0.00 2.93 2.78 0.00 0.00 7.26 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.41 4.36 0.00 2.75 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 0.00 142 I 7.54 3.45 1.48 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.09 0.14 0.00 0.00 143 A 8.06 3.76 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 0.00 144 A 7.89 3.94 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 0.00 145 K 7.83 4.01 0.00 1.93 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.58 4.26 0.00 3.12 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 0.00 147 K 8.58 3.97 0.00 1.84 1.99 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.05 3.95 0.00 2.04 2.26 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 2.34 2.38 0.00 149 L 7.82 4.34 0.00 1.83 1.68 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 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 0.00 151 F 8.25 4.28 0.00 2.73 2.65 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 0.00 152 Q 7.82 3.54 0.00 1.68 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00