NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9875 8.3549 109.7396 45.4393 0.0000 172.8943 2 L 4.4480 8.0270 119.3611 50.6894 43.9387 175.7448 3 S 4.4932 9.4779 118.3564 58.1039 66.0797 174.9503 4 D 4.7688 8.7246 121.6456 57.5160 40.3826 179.3302 5 G 3.6509 8.0613 105.8941 47.6107 0.0000 175.5568 6 E 3.8632 8.2928 120.8306 59.1783 29.5714 179.1146 7 W 4.6752 8.3696 119.2664 60.3105 29.1361 178.4398 8 Q 4.0697 8.3728 119.1666 59.2575 28.4814 178.2252 9 Q 4.0477 7.9523 118.9275 58.9565 28.8024 178.8242 10 V 3.7055 7.7843 119.1238 66.3454 31.5955 177.9812 11 L 4.3464 8.2085 117.9370 56.8863 41.0368 178.8289 12 N 4.2675 8.3746 117.6032 56.7070 38.9874 176.7705 13 V 3.5783 8.0344 119.6551 65.9695 31.6163 177.7862 14 W 3.8986 8.5350 128.0364 60.2012 30.2567 177.8239 15 G 3.8076 7.9517 104.9414 47.8481 0.0000 175.1673 16 K 3.9533 7.6152 120.9498 59.2726 32.3891 178.7446 17 V 2.7513 7.2734 118.4025 66.0869 30.8854 177.4979 18 E 3.9952 7.6179 115.6000 58.0638 29.4065 178.3582 19 A 4.2011 7.4989 120.4015 53.6310 19.9541 177.2372 20 D 4.6575 7.7641 116.5393 52.2624 41.9199 175.7260 21 I 3.5828 7.7593 124.2599 64.2378 38.5857 176.1357 22 A 4.0746 8.1266 121.2479 55.3755 18.2488 179.7557 23 G 3.4302 8.0724 103.3262 48.1936 0.0000 175.3724 24 H 4.0877 8.4551 119.4573 58.4353 28.7339 178.1293 25 G 3.5805 8.6836 107.7168 47.7865 0.0000 175.1189 26 Q 3.8741 8.2435 122.5868 59.2299 29.0350 178.5256 27 E 3.8566 7.9657 118.7475 59.3382 29.5485 179.6907 28 V 3.5319 7.7942 118.1834 65.9730 31.5405 178.1817 29 L 3.3565 7.7104 118.6666 57.5020 41.3490 179.5575 30 I 3.6002 7.6805 119.9395 64.2003 37.0416 178.2449 31 R 3.7959 7.9085 119.5781 59.3498 29.8371 178.2589 32 L 3.9214 7.5589 119.5938 58.3461 42.1402 178.9511 33 F 4.5459 8.0337 118.1388 60.7912 38.5635 177.7690 34 T 4.1086 8.0181 108.7358 64.5536 68.9797 176.9836 35 G 3.6223 7.9873 107.3625 46.2727 0.0000 173.8669 36 H 4.8129 8.0839 117.7590 52.5555 30.0337 172.1533 37 P 4.8750 0.0000 0.0000 64.0322 31.7483 177.3088 38 E 4.1973 8.1849 116.4094 58.7801 29.7862 178.6015 39 T 4.0303 8.0388 110.9390 63.9968 68.8984 176.0067 40 L 4.1830 7.8159 123.2461 57.3950 41.9645 177.6674 41 E 4.3196 7.6974 115.3963 57.3822 29.7258 177.6928 42 K 3.9388 7.6141 116.8929 57.8238 32.3689 176.9355 43 F 4.6606 8.0200 117.7476 54.8184 41.3482 175.0934 44 D 4.3766 8.8863 126.9367 57.2522 40.5418 178.8152 45 K 3.8992 8.0235 117.0633 59.2474 32.4703 177.5467 46 F 5.0827 7.8414 117.0645 57.0981 39.9660 177.2862 47 K 4.1002 8.0010 118.5789 59.9352 32.4642 178.5323 48 H 4.6033 8.2302 114.9883 57.1318 28.9368 175.5259 49 L 4.1274 7.3276 121.3253 54.4911 39.9152 176.4424 50 K 4.2823 9.0810 124.1528 57.2693 33.0885 177.9861 51 T 4.7242 7.5569 108.3835 58.7951 73.1288 174.0373 52 E 3.8744 8.7513 122.0889 59.5376 29.5016 178.9048 53 A 3.9836 8.0048 120.0926 55.4557 18.2249 179.3564 54 E 3.9529 7.8425 115.2306 59.7177 29.6358 179.1189 55 M 4.1479 8.0959 118.7522 58.4760 31.8380 178.9971 56 K 4.1371 8.0925 116.9072 58.6876 32.3190 178.5611 57 A 4.4747 7.4842 119.1226 52.1142 18.5585 177.1392 58 S 4.3190 7.5306 113.4146 57.5349 62.4286 174.5589 59 E 4.0633 8.8686 128.9831 59.5261 29.1625 178.7629 60 D 4.4804 8.1570 117.6918 56.8406 41.3248 177.9867 61 L 4.0549 7.9070 121.3735 57.9639 42.1524 178.5989 62 K 3.8274 7.6480 117.7635 59.6828 32.0632 179.0059 63 K 3.9666 8.1255 119.3674 59.6688 32.1705 178.1423 64 H 4.1523 8.8214 119.0974 59.4213 29.8478 177.1889 65 G 3.7655 8.5696 107.8011 48.3048 0.0000 175.6107 66 T 3.9101 8.0388 117.9273 66.2983 68.4274 176.8177 67 V 3.6047 7.8205 120.0910 66.0154 31.5090 178.0109 68 V 3.6583 7.9127 117.7633 66.3337 31.4255 178.0391 69 L 4.2760 8.2146 118.5483 58.0051 41.4758 179.6158 70 T 3.9612 8.2003 115.5920 66.6645 68.4689 176.3133 71 A 3.9834 8.2124 122.6229 55.1423 18.3552 179.3671 72 L 3.6208 8.1766 119.0508 57.9524 42.0655 179.2298 73 G 3.3696 8.4568 106.1726 47.7974 0.0000 175.5378 74 G 3.7309 7.7369 107.2115 47.5087 0.0000 175.4555 75 I 3.7757 7.3603 121.3809 64.1875 37.2057 178.3263 76 L 3.9338 7.6503 119.7862 57.9347 41.2554 179.4955 77 K 4.1189 7.7920 115.8441 57.7861 32.3497 178.3971 78 K 4.0192 7.9551 118.6520 55.4504 32.7744 176.3918 79 K 2.0000 8.1351 118.5451 56.3432 29.7953 175.8445 80 G 3.9125 7.7085 105.2949 45.7846 0.0000 173.2835 81 H 4.5871 7.4384 118.5292 55.9251 28.2969 175.1624 82 H 5.3540 7.3856 110.8919 54.4923 29.6416 175.5891 83 E 3.9014 8.6288 122.2391 60.2617 28.9502 178.8977 84 A 4.0010 7.9363 118.3080 55.1318 18.8689 178.8660 85 E 4.1292 8.1151 116.6069 58.9471 29.7883 178.8256 86 L 4.0812 8.5407 120.8554 57.6287 42.1611 178.1959 87 K 3.8189 8.2368 119.9774 59.5529 31.9730 176.7442 88 P 4.2498 0.0000 0.0000 65.7172 31.1003 178.2949 89 L 4.1000 7.9058 118.1500 57.3385 41.8613 178.6287 90 A 4.0994 8.0849 120.7295 55.4416 18.3391 179.6434 91 Q 3.8963 8.3701 116.8077 59.1812 28.8558 179.3785 92 S 4.0283 8.4004 115.5417 61.8867 62.9998 176.2548 93 H 4.1531 8.6049 119.7748 58.2537 28.1715 177.6699 94 A 2.5800 7.5216 121.8157 54.2511 18.2112 179.2900 95 T 4.0584 7.4083 112.8555 65.5371 69.1584 176.1616 96 K 4.1563 7.5140 119.1713 58.8720 32.8263 177.3010 97 H 4.3629 7.8083 113.7175 56.2160 29.4918 175.4889 98 K 3.7447 7.6775 117.6697 57.2134 29.1749 175.3331 99 I 4.1646 8.0176 118.3140 58.9943 38.4757 175.2145 100 P 4.7316 0.0000 0.0000 62.4464 32.0805 177.5332 101 I 3.5437 8.4397 120.2662 63.6904 37.8316 178.0283 102 K 3.6120 8.0005 120.2723 59.6700 31.7747 178.0174 103 Y 4.2176 7.9879 117.0555 60.5518 37.8767 177.6142 104 L 3.9882 7.9442 121.0688 58.1639 42.1737 178.1318 105 E 3.8748 7.8978 118.8496 59.5523 29.4259 178.5192 106 F 4.5072 7.8735 117.4633 61.1849 39.0450 177.8597 107 I 3.8178 8.2171 117.7098 63.8058 37.6029 178.1605 108 S 4.1921 8.1533 116.0758 61.7554 62.7839 175.9863 109 D 4.4778 8.2692 121.2680 57.6555 40.5514 178.9622 110 A 4.0467 8.3605 121.1870 55.2630 18.2712 179.6919 111 I 3.6909 8.0785 118.2833 64.6765 37.2677 178.6908 112 I 3.9028 7.6799 120.3564 64.6429 37.0126 177.8928 113 H 4.1440 8.2694 118.9422 59.4232 29.6845 177.4357 114 V 3.5823 8.1171 120.1615 65.8306 31.3297 177.6890 115 L 3.7785 8.1287 119.0950 58.3977 41.3006 179.4323 116 H 4.3418 8.0834 115.3075 58.8608 28.3638 177.8306 117 S 4.0991 7.6032 113.8183 60.8374 62.3110 175.7944 118 K 4.0948 8.1894 120.5662 57.5197 33.5616 176.8591 119 H 4.9107 7.9084 115.5440 53.2504 28.9433 171.2442 120 P 4.6926 0.0000 0.0000 63.6280 31.7384 177.7920 121 G 3.9791 9.0822 111.4504 45.6577 0.0000 172.9870 122 D 4.6677 8.1431 118.2197 54.3086 41.7373 176.8863 123 F 4.9182 7.9893 121.8149 55.9380 38.3824 175.5600 124 G 3.8518 8.3494 112.7868 44.3855 0.0000 170.9130 125 A 3.9516 8.4464 123.6491 54.9318 18.5700 180.0629 126 D 4.2328 7.9781 117.0077 56.3849 39.5700 178.4867 127 A 3.9800 7.7313 121.7324 55.0184 18.5213 179.0859 128 Q 3.6399 7.8513 118.5105 59.0876 28.9404 178.9683 129 G 3.4984 7.8796 106.1573 47.6505 0.0000 175.5959 130 A 3.8634 7.7829 123.2026 54.8538 18.3864 179.3822 131 M 3.9674 8.0568 116.6524 59.1316 32.3323 178.2001 132 T 3.9064 7.9724 115.8427 66.9083 68.6838 176.4788 133 K 3.9913 8.0965 119.6842 59.4237 32.0275 179.1010 134 A 3.8015 8.1752 121.3205 55.3258 18.2744 179.7769 135 L 4.1280 8.4188 117.7587 57.8445 41.6133 179.6403 136 E 3.9851 8.6098 119.1244 59.0563 29.4391 178.7006 137 L 3.9576 8.3156 120.9799 58.3256 42.0175 178.7481 138 F 4.2607 8.1139 119.7355 61.5670 39.3311 176.8643 139 R 3.4295 7.9417 118.1219 59.4193 29.5236 177.9525 140 N 4.2241 8.4957 117.1157 56.8011 38.6571 176.6737 141 D 4.3693 8.2125 120.2797 57.0738 40.9175 178.7746 142 I 3.4821 7.6829 120.4547 64.2400 36.9794 178.2399 143 A 4.0058 7.9758 121.3711 54.9722 18.2028 179.6210 144 A 3.9506 7.7058 119.2807 55.1330 18.3251 180.0509 145 K 4.1220 7.7926 116.7451 59.9048 32.1268 179.0150 146 Y 4.1230 8.7050 117.3988 61.1804 37.8232 178.8865 147 K 3.9785 8.4279 120.4637 59.4969 32.0883 178.3452 148 E 3.9849 7.9960 118.4011 58.8090 29.5953 177.8638 149 L 4.5048 7.5676 115.9913 53.3170 42.2026 176.4909 150 G 3.9033 7.9349 106.9187 46.2598 0.0000 173.8797 151 F 4.1576 8.3328 122.4976 57.3615 39.5729 175.1692 152 Q 4.0668 7.9417 126.1121 55.9358 28.9509 175.4687 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 3.99 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 2 L 8.03 4.45 0.00 0.79 1.00 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.48 4.49 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.77 0.00 2.77 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 5 G 8.06 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 6 E 8.29 3.86 0.00 2.09 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 7 W 8.37 4.68 0.00 3.37 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 8 Q 8.37 4.07 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 7.95 4.05 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 10 V 7.78 3.71 2.47 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 1.21 0.00 0.00 0.87 0.00 0.00 11 L 8.21 4.35 0.00 1.87 1.79 0.93 0.73 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 8.37 4.27 0.00 2.97 3.08 0.00 0.00 6.65 7.28 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 13 V 8.03 3.58 2.43 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 0.84 0.00 0.00 1.12 0.00 0.00 14 W 8.54 3.90 0.00 3.62 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.62 3.95 0.00 1.75 1.82 0.00 1.52 0.00 0.00 1.12 0.00 0.00 2.35 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.21 7.81 17 V 7.27 2.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.22 0.00 0.00 18 E 7.62 4.00 0.00 2.10 1.95 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 2.29 2.34 0.00 19 A 7.50 4.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.76 4.66 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 21 I 7.76 3.58 1.81 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 1.59 1.05 0.90 0.00 0.00 22 A 8.13 4.07 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 23 G 8.07 3.43 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 0.00 0.00 0.00 0.00 24 H 8.46 4.09 0.00 3.26 3.21 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 8.68 3.58 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 0.00 0.00 0.00 26 Q 8.24 3.87 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 27 E 7.97 3.86 0.00 1.99 1.92 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 2.26 2.39 0.00 28 V 7.79 3.53 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 1.02 0.00 0.00 0.97 0.00 0.00 29 L 7.71 3.36 0.00 1.49 0.70 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.68 3.60 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.88 0.00 0.00 31 R 7.91 3.80 0.00 1.93 2.01 0.00 3.01 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 32 L 7.56 3.92 0.00 1.81 1.46 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.03 4.55 0.00 2.96 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 34 T 8.02 4.11 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 1.21 0.00 0.00 35 G 7.99 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 0.00 0.00 0.00 36 H 8.08 4.81 0.00 3.11 3.30 0.00 5.63 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 4.87 0.00 2.16 2.09 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.18 4.20 0.00 2.26 2.28 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 2.42 2.51 0.00 39 T 8.04 4.03 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 0.79 0.00 0.00 40 L 7.82 4.18 0.00 1.72 1.82 0.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.70 4.32 0.00 2.12 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 2.37 2.52 0.00 42 K 7.61 3.94 0.00 1.58 1.32 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.76 7.81 43 F 8.02 4.66 0.00 3.31 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 44 D 8.89 4.38 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 8.02 3.90 0.00 1.60 1.76 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.55 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.65 0.21 7.81 46 F 7.84 5.08 0.00 2.90 2.55 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 47 K 8.00 4.10 0.00 1.97 1.98 0.00 1.63 0.00 0.00 2.02 0.00 0.00 3.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.71 1.48 7.81 48 H 8.23 4.60 0.00 3.32 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.33 4.13 0.00 1.64 1.59 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.08 4.28 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.76 1.52 7.81 51 T 7.56 4.72 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 8.75 3.87 0.00 2.03 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 2.36 2.37 0.00 53 A 8.00 3.98 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 7.84 3.95 0.00 2.13 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 2.36 2.35 0.00 55 M 8.10 4.15 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 56 K 8.09 4.14 0.00 1.71 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 57 A 7.48 4.47 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 58 S 7.53 4.32 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.87 4.06 0.00 2.05 2.02 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 2.42 2.33 0.00 60 D 8.16 4.48 0.00 2.88 2.86 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 61 L 7.91 4.05 0.00 1.64 1.76 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.65 3.83 0.00 2.02 1.89 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 63 K 8.13 3.97 0.00 1.89 2.05 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 64 H 8.82 4.15 0.00 3.79 3.58 0.00 5.85 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 3.77 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 66 T 8.04 3.91 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 1.24 0.00 0.00 67 V 7.82 3.60 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 1.10 0.00 0.00 0.98 0.00 0.00 68 V 7.91 3.66 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 1.14 0.00 0.00 1.12 0.00 0.00 69 L 8.21 4.28 0.00 1.85 1.96 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.20 3.96 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 1.26 0.00 0.00 71 A 8.21 3.98 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 72 L 8.18 3.62 0.00 1.59 1.70 0.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.37 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 74 G 7.74 3.73 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 0.00 0.00 0.00 75 I 7.36 3.78 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.72 0.00 0.00 76 L 7.65 3.93 0.00 1.41 1.61 -0.01 0.72 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 77 K 7.79 4.12 0.00 1.65 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.56 7.81 78 K 7.96 4.02 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.64 1.74 7.81 79 K 8.14 2.00 0.00 1.15 0.74 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.44 0.82 7.81 80 G 7.71 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 81 H 7.44 4.59 0.00 3.20 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.39 5.35 0.00 3.27 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.63 3.90 0.00 2.12 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 2.41 2.50 0.00 84 A 7.94 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 8.12 4.13 0.00 2.20 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 2.37 2.41 0.00 86 L 8.54 4.08 0.00 1.70 1.76 0.83 0.47 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 87 K 8.24 3.82 0.00 1.99 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 P 0.00 4.25 0.00 2.33 2.32 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 89 L 7.91 4.10 0.00 1.94 1.81 0.99 0.86 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 90 A 8.08 4.10 1.43 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 0.00 0.00 0.00 91 Q 8.37 3.90 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 S 8.40 4.03 0.00 3.90 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 8.60 4.15 0.00 3.41 3.50 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 7.52 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 7.41 4.06 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 1.16 0.00 0.00 96 K 7.51 4.16 0.00 1.59 1.64 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 97 H 7.81 4.36 0.00 3.13 3.24 0.00 5.86 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 98 K 7.68 3.74 0.00 1.96 2.13 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 99 I 8.02 4.16 1.98 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 1.51 1.01 1.15 0.00 0.00 100 P 0.00 4.73 0.00 1.86 1.92 0.00 2.21 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 101 I 8.44 3.54 1.54 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.85 0.00 0.00 102 K 8.00 3.61 0.00 1.74 1.63 0.00 1.34 0.00 0.00 1.37 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 0.59 7.81 103 Y 7.99 4.22 0.00 3.14 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 0.00 104 L 7.94 3.99 0.00 1.65 1.70 1.00 0.28 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 0.00 105 E 7.90 3.87 0.00 2.00 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 2.38 2.39 0.00 106 F 7.87 4.51 0.00 3.24 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 0.00 107 I 8.22 3.82 2.12 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 1.58 1.61 1.11 0.00 0.00 108 S 8.15 4.19 0.00 4.21 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 0.00 109 D 8.27 4.48 0.00 3.03 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 0.00 110 A 8.36 4.05 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 0.00 111 I 8.08 3.69 2.14 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 1.65 0.89 1.07 0.00 0.00 112 I 7.68 3.90 2.02 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 1.73 1.39 1.12 0.00 0.00 113 H 8.27 4.14 0.00 3.34 3.49 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 8.12 3.58 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 0.96 0.00 0.00 1.05 0.00 0.00 115 L 8.13 3.78 0.00 1.37 0.52 0.52 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.08 4.34 0.00 3.35 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.60 4.10 0.00 3.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.19 4.09 0.00 1.49 1.43 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.55 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.27 1.37 7.81 119 H 7.91 4.91 0.00 3.15 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.81 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 4.69 0.00 2.19 2.10 0.00 3.41 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 121 G 9.08 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 0.00 0.00 0.00 122 D 8.14 4.67 0.00 2.84 2.76 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 0.00 123 F 7.99 4.92 0.00 2.78 2.86 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 0.00 124 G 8.35 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 0.00 0.00 0.00 125 A 8.45 3.95 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 7.98 4.23 0.00 2.85 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 7.73 3.98 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 0.00 128 Q 7.85 3.64 0.00 1.25 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 129 G 7.88 3.50 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 0.00 130 A 7.78 3.86 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 0.00 131 M 8.06 3.97 0.00 2.42 2.43 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 2.77 2.85 0.00 132 T 7.97 3.91 4.42 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 1.26 0.00 0.00 133 K 8.10 3.99 0.00 1.78 1.68 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 134 A 8.18 3.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.42 4.13 0.00 1.87 1.83 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.61 3.99 0.00 1.99 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 0.00 2.34 2.56 0.00 137 L 8.32 3.96 0.00 1.86 1.99 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.11 4.26 0.00 3.05 3.27 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 0.00 139 R 7.94 3.43 0.00 1.96 1.99 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 140 N 8.50 4.22 0.00 2.92 2.89 0.00 0.00 7.23 8.03 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 0.00 141 D 8.21 4.37 0.00 2.89 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 0.00 142 I 7.68 3.48 1.47 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.16 0.12 0.00 0.00 143 A 7.98 4.01 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 0.00 144 A 7.71 3.95 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 0.00 145 K 7.79 4.12 0.00 2.04 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.65 7.81 146 Y 8.71 4.12 0.00 3.08 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 8.43 3.98 0.00 1.86 1.99 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.00 3.98 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 149 L 7.57 4.50 0.00 1.56 1.65 0.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.93 3.90 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 0.00 0.00 0.00 151 F 8.33 4.16 0.00 2.67 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 0.00 152 Q 7.94 4.07 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.42 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00