NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2086 8.1633 120.2922 54.6255 33.2074 174.2039 2 K 3.9248 8.5424 126.1381 56.4262 32.4531 175.6387 3 G 3.9248 8.7074 113.6842 44.8113 0.0000 171.9643 4 D 4.5337 8.4265 119.7969 53.7887 42.0313 176.4528 5 K 3.8079 9.1592 127.1135 60.1881 32.0872 178.7995 6 I 3.6243 7.8523 119.1403 63.9905 36.9122 178.4637 7 V 3.7071 8.0711 119.3728 66.1892 31.3438 178.2023 8 I 3.7395 7.9347 119.5429 64.4062 36.8859 178.4959 9 Q 3.9494 7.8931 118.8480 59.2050 28.5153 178.5066 10 H 4.1274 8.3074 117.3113 58.7045 28.7259 177.7581 11 L 4.0162 8.2857 121.1712 58.1022 41.4223 179.4498 12 N 4.3465 8.5366 116.6667 55.9602 38.4939 177.3835 13 K 3.8854 8.0492 121.1394 59.6672 32.2983 178.9825 14 I 3.7506 7.9007 120.0565 64.1831 36.9216 178.0908 15 L 4.0463 8.1874 121.4549 58.0920 41.9528 179.2471 16 G 3.6077 8.3621 105.8747 47.9935 0.0000 175.3921 17 N 4.3781 8.0415 118.5219 56.0041 38.4344 177.4051 18 E 3.9551 8.2643 120.0454 59.4542 29.2933 179.4299 19 L 3.9454 8.1590 119.1401 57.5987 41.5468 179.7585 20 I 3.6430 7.5986 119.2097 64.2700 37.0429 178.2715 21 A 3.1895 7.7416 121.5691 54.7805 18.0310 179.4188 22 I 3.5616 7.7787 118.5880 64.8816 37.2469 178.3857 23 N 4.3260 7.7302 116.6226 56.2441 38.3852 177.3543 24 Q 3.8638 8.0234 120.9603 59.5635 29.1922 178.0477 25 Y 4.7840 8.0632 119.5210 60.4751 37.8753 178.1143 26 F 3.9333 8.6188 121.9859 61.0437 39.5476 176.9873 27 L 3.9997 8.1319 120.0258 58.5785 41.8842 178.6086 28 H 4.0032 8.3749 115.9233 58.6694 28.5884 177.5853 29 A 4.1484 8.4625 122.9125 55.4913 18.1979 180.0302 30 R 3.8275 7.7954 116.1863 59.0833 30.0101 179.3485 31 M 3.4419 7.6482 118.9217 58.1775 31.7601 178.0874 32 Y 4.4093 7.5257 116.8738 61.4696 38.1179 178.8564 33 E 3.9785 8.1811 119.2939 59.3618 29.2731 178.8742 34 D 4.3054 7.8705 117.6238 56.7929 41.3300 177.5166 35 W 4.9004 7.8179 116.7138 56.5357 29.0857 176.9417 36 G 3.9437 8.3410 107.9980 46.1626 0.0000 174.2599 37 L 4.8999 8.0371 121.3587 52.7200 40.5964 176.8902 38 E 3.9340 8.4885 122.9510 59.2783 30.0421 178.9339 39 K 3.8733 8.0523 119.3804 59.5178 32.1920 178.6175 40 L 4.0159 7.8039 120.1838 57.9225 41.9279 178.8913 41 G 3.6899 8.2260 105.8475 47.7069 0.0000 175.5246 42 K 3.8491 8.3768 122.7248 59.3261 32.2236 178.3904 43 H 3.8913 8.0401 117.9456 59.2499 29.6339 176.7421 44 E 3.8522 8.3968 121.4014 59.3655 29.4033 178.1054 45 Y 3.9775 8.2417 119.6803 61.2025 38.8592 177.9886 46 H 4.0629 8.2348 116.9539 58.7530 28.7125 177.7317 47 E 3.7939 8.0816 120.5747 59.1062 29.1477 179.2843 48 S 4.2479 7.9358 113.4480 61.5078 62.5092 176.3092 49 I 3.6424 7.4318 122.5459 64.3324 36.7418 178.1471 50 D 4.2636 8.0906 119.9263 57.4306 40.5757 178.7375 51 E 4.0688 8.2464 119.0507 59.4087 29.4188 179.2698 52 M 4.0256 7.8868 119.0106 58.3868 32.0350 178.9571 53 K 4.0383 8.0715 118.5938 59.5371 32.1623 179.2632 54 H 4.2756 8.1358 116.4889 58.8269 28.6461 177.6135 55 A 4.0060 8.2001 122.6856 55.1074 18.2013 179.0233 56 D 4.2660 8.1675 116.4599 57.6638 41.3213 178.8039 57 K 4.0244 8.1407 118.7925 59.3687 31.9074 179.4411 58 L 4.0235 8.0348 119.3299 57.7519 41.5164 179.4832 59 I 3.7000 8.1791 120.1581 64.3748 37.0429 178.6177 60 K 3.9736 8.1378 119.1656 59.3883 31.8291 179.3041 61 R 3.9964 8.0427 118.8520 59.5754 29.9878 178.3966 62 I 3.7044 8.0025 119.7122 64.6234 37.1707 178.3801 63 L 3.9957 8.1399 119.6683 57.8232 41.2008 179.4371 64 F 4.3929 8.2934 119.7872 61.1223 39.6155 176.4458 65 L 4.3279 7.9798 117.5678 53.7057 41.1696 176.9105 66 E 3.8363 7.9238 117.5576 57.5317 27.2288 174.3711 67 G 3.9934 8.0121 107.2049 43.8589 0.0000 173.4913 68 L 4.5651 8.0052 118.8126 51.9442 42.5565 175.2508 69 P 4.3476 0.0000 0.0000 62.4879 31.7790 175.8570 70 N 4.6993 9.1438 122.3158 52.4257 38.6674 173.9468 71 L 4.6114 8.2933 124.1223 54.5299 42.5121 177.4949 72 Q 4.0661 8.2661 121.9061 58.1915 29.3260 175.9323 73 E 4.1161 8.1897 118.7114 55.2784 30.0925 174.9738 74 L 4.5564 8.3321 127.9285 52.8629 44.0241 176.2968 75 G 3.8330 8.4181 115.4679 44.4482 0.0000 171.9356 76 K 4.0816 8.3012 120.7273 55.9067 32.4663 176.5250 77 L 4.2301 8.3802 126.5709 54.5879 42.3341 177.2936 78 L 4.5075 8.7697 124.0343 53.2286 40.7729 174.4232 79 I 4.2329 7.9392 122.4772 59.8313 38.1157 176.5813 80 G 4.0264 8.8096 114.6800 44.9178 0.0000 172.6824 81 E 4.7981 9.0045 117.2377 56.3340 31.3632 176.5782 82 H 4.8325 7.7570 113.6777 53.1720 32.6231 173.8666 83 T 4.2742 8.6937 118.6160 67.3256 68.3385 176.1559 84 K 3.8639 8.2179 120.3867 59.7715 32.1690 178.2737 85 E 3.9488 7.9881 118.8903 59.4741 29.5883 178.5213 86 M 4.0505 8.2634 118.9179 58.2781 31.9666 178.7277 87 L 4.1608 8.2751 119.3023 57.9317 41.7605 179.4599 88 E 4.0315 8.3139 118.6120 59.3577 29.3661 179.1776 89 C 4.2085 8.5106 117.2456 62.9940 28.1679 175.8390 90 D 4.6755 8.3750 120.4435 57.3949 40.3294 178.6469 91 L 3.9631 8.1625 120.8559 58.1002 42.1018 178.9715 92 K 4.0998 8.5831 120.0567 59.1885 32.0876 178.6646 93 L 3.9489 8.0963 120.7497 58.2839 41.9276 178.7068 94 E 4.0899 8.5875 118.8586 59.7598 29.1968 179.5396 95 Q 4.0304 8.3262 117.0333 58.7993 28.8143 178.3137 96 A 4.2590 8.0539 121.3473 54.4047 18.7398 179.0653 97 G 3.8349 7.9718 102.5694 45.6001 0.0000 175.7635 98 L 3.9656 7.5886 123.4558 57.8243 42.1750 177.1912 99 P 4.3381 0.0000 0.0000 65.7795 31.1433 178.0478 100 D 4.3572 7.9734 118.4228 57.3193 40.8104 178.4768 101 L 4.0340 7.9239 119.4527 57.8092 41.6435 179.7990 102 K 4.0159 8.1850 118.2826 59.2473 31.9409 179.3584 103 A 4.0211 8.3235 121.1498 54.9522 18.3005 179.5589 104 A 3.6961 8.0512 119.3492 55.2630 18.4863 179.9240 105 I 3.6537 7.9620 118.1511 64.4568 37.2089 178.4820 106 A 4.0006 8.0947 121.5742 55.3585 18.0783 179.0916 107 Y 3.7372 8.1232 117.9751 60.8793 38.8892 177.8571 108 C 4.0266 8.2284 117.6984 62.7938 28.2715 175.6608 109 E 3.9051 8.1524 121.0144 59.3803 29.0215 179.1087 110 S 4.1371 7.7373 112.7187 60.3853 63.0164 175.7812 111 V 4.1345 6.7357 113.4491 60.1756 31.8398 176.2387 112 G 3.0007 7.1288 105.8729 46.3561 0.0000 175.5391 113 D 4.4426 7.2912 121.3634 52.8577 38.2783 176.1617 114 Y 4.2412 7.2713 121.3623 60.5670 38.5027 177.5659 115 A 4.0659 8.0836 121.3758 55.3007 18.6011 179.7117 116 S 4.1363 8.3923 113.7436 61.5317 62.8334 176.8402 117 R 3.9076 7.8711 121.1662 59.5996 29.9011 178.3391 118 E 4.0256 8.4239 118.4318 59.3487 29.4920 179.1941 119 L 3.9680 7.9125 120.1160 58.2414 42.1343 179.0802 120 L 4.0283 8.0322 118.8997 57.7403 41.5222 179.3432 121 E 3.9847 8.5921 119.0488 59.5402 29.0375 179.0819 122 D 4.5318 8.1813 118.8419 57.4607 40.7841 179.0404 123 I 3.5501 7.6774 120.1128 64.1183 37.0174 178.0555 124 L 3.9519 8.2187 121.5899 58.4349 41.6507 178.8750 125 E 3.9681 8.2797 118.3133 59.5636 29.4432 179.3977 126 S 4.1756 7.8120 112.7667 61.2850 62.4752 176.0783 127 E 4.1126 8.5560 121.8450 59.4990 29.2603 179.1745 128 E 4.1013 8.6346 118.8048 59.2028 29.4459 179.2218 129 D 4.4313 7.8463 119.2966 57.4783 40.8335 178.1145 130 H 4.3479 8.2718 118.5801 59.4709 29.8309 177.2119 131 I 3.7281 7.9841 121.6147 64.4612 36.9313 177.8194 132 D 4.3346 8.2035 118.6896 57.1252 41.1116 178.1023 133 W 4.0936 8.4073 128.7421 60.4211 30.7371 177.7937 134 L 3.8448 8.5438 119.2244 58.0427 41.1715 179.4442 135 E 3.9285 8.4182 118.5988 59.6799 29.2314 179.6857 136 T 3.7917 7.8127 115.8347 66.5380 68.4396 176.8241 137 Q 3.5817 7.5558 119.9284 58.7813 28.4862 178.8436 138 L 3.7429 7.5121 119.9069 57.8014 41.6172 179.3783 139 D 4.2885 8.0343 118.8655 57.1476 40.6872 178.7872 140 L 3.9608 7.9474 119.9412 57.7135 41.5694 179.4554 141 I 3.5446 7.4457 119.7804 64.5027 36.7571 178.2191 142 D 4.3080 7.4965 118.4962 57.2795 40.6955 178.7173 143 K 4.1573 7.9322 118.3547 58.4106 32.2575 178.4866 144 I 4.3164 8.3244 110.5835 59.4700 39.1190 176.6682 145 G 4.0446 7.8384 107.5013 45.9774 0.0000 174.3783 146 L 3.9888 8.4999 122.3642 57.9615 42.1422 179.1659 147 E 3.9605 8.2113 117.9735 59.7173 29.4282 179.0940 148 N 4.3299 8.0964 115.6763 56.3526 38.4856 176.5530 149 Y 3.9748 7.8367 119.6522 60.8514 39.1693 178.0019 150 L 4.0517 8.4069 120.1457 57.7672 41.6544 179.1440 151 Q 3.9379 8.1626 119.4821 59.4802 28.7675 178.6384 152 S 4.2233 8.0050 114.1728 60.3926 63.1660 175.4241 153 Q 4.2848 7.6622 119.9169 56.0168 28.6933 177.3870 154 M 4.2618 7.6678 122.5082 57.6896 31.9105 176.0518 155 D 4.5178 7.8953 121.2757 54.3517 41.3369 176.2970 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 M 8.16 4.21 0.00 1.47 1.86 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 2 K 8.54 3.92 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.42 7.81 3 G 8.71 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 4 D 8.43 4.53 0.00 2.84 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 5 K 9.16 3.81 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 6 I 7.85 3.62 1.76 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 1.53 0.65 0.08 0.00 0.00 7 V 8.07 3.71 2.34 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 1.23 0.00 0.00 1.17 0.00 0.00 8 I 7.93 3.74 2.01 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 1.51 0.64 0.89 0.00 0.00 9 Q 7.89 3.95 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 10 H 8.31 4.13 0.00 3.32 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.29 4.02 0.00 1.99 1.73 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.35 0.00 2.79 2.84 0.00 0.00 6.71 7.86 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 13 K 8.05 3.89 0.00 1.91 2.03 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.90 3.75 1.99 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 1.71 0.75 0.92 0.00 0.00 15 L 8.19 4.05 0.00 1.83 1.87 0.92 0.95 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 16 G 8.36 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 17 N 8.04 4.38 0.00 2.99 2.88 0.00 0.00 7.06 7.38 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 18 E 8.26 3.96 0.00 2.17 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 2.59 2.52 0.00 19 L 8.16 3.95 0.00 1.78 1.67 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.60 3.64 1.96 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 1.46 0.75 0.89 0.00 0.00 21 A 7.74 3.19 1.01 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 22 I 7.78 3.56 1.94 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 1.53 0.70 0.86 0.00 0.00 23 N 7.73 4.33 0.00 2.74 2.83 0.00 0.00 6.76 7.22 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 24 Q 8.02 3.86 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.29 0.00 25 Y 8.06 4.78 0.00 3.03 2.96 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 26 F 8.62 3.93 0.00 3.34 3.09 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 27 L 8.13 4.00 0.00 1.86 1.73 0.90 1.11 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 28 H 8.37 4.00 0.00 3.58 3.21 0.00 5.70 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 29 A 8.46 4.15 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 30 R 7.80 3.83 0.00 1.74 1.89 0.00 3.14 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.81 0.00 31 M 7.65 3.44 0.00 0.89 1.64 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.20 0.00 32 Y 7.53 4.41 0.00 3.22 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 33 E 8.18 3.98 0.00 1.95 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 2.30 2.44 0.00 34 D 7.87 4.31 0.00 2.56 2.45 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 35 W 7.82 4.90 0.00 3.71 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 36 G 8.34 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 37 L 8.04 4.90 0.00 2.01 1.66 1.30 1.24 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 38 E 8.49 3.93 0.00 2.10 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 2.33 2.43 0.00 39 K 8.05 3.87 0.00 2.01 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.46 7.81 40 L 7.80 4.02 0.00 1.53 1.21 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.23 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 42 K 8.38 3.85 0.00 1.84 1.96 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 43 H 8.04 3.89 0.00 3.15 3.21 0.00 5.65 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 44 E 8.40 3.85 0.00 2.42 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 2.53 2.62 0.00 45 Y 8.24 3.98 0.00 2.99 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 46 H 8.23 4.06 0.00 3.21 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.08 3.79 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 48 S 7.94 4.25 0.00 4.13 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 49 I 7.43 3.64 1.84 0.00 0.00 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 1.05 0.50 0.83 0.00 0.00 50 D 8.09 4.26 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.25 4.07 0.00 2.12 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 2.75 2.60 0.00 52 M 7.89 4.03 0.00 2.04 2.17 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 2.76 2.53 0.00 53 K 8.07 4.04 0.00 1.92 1.85 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.14 4.28 0.00 3.49 3.33 0.00 5.64 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 55 A 8.20 4.01 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 56 D 8.17 4.27 0.00 2.91 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 57 K 8.14 4.02 0.00 2.03 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 58 L 8.03 4.02 0.00 1.89 1.72 0.99 0.67 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 59 I 8.18 3.70 2.03 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 1.52 0.74 0.92 0.00 0.00 60 K 8.14 3.97 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.61 7.81 61 R 8.04 4.00 0.00 2.08 2.13 0.00 3.35 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 8.00 3.70 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.93 0.00 0.00 63 L 8.14 4.00 0.00 1.89 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.29 4.39 0.00 2.95 3.30 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 65 L 7.98 4.33 0.00 2.00 1.60 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.92 3.84 0.00 2.05 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 2.17 2.27 0.00 67 G 8.01 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 68 L 8.01 4.57 0.00 1.61 1.60 0.91 0.99 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 69 P 0.00 4.35 0.00 2.03 1.99 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.14 4.70 0.00 2.63 2.80 0.00 0.00 7.08 8.08 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 71 L 8.29 4.61 0.00 1.61 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.27 4.07 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 73 E 8.19 4.12 0.00 1.95 1.82 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 2.27 2.27 0.00 74 L 8.33 4.56 0.00 1.55 1.48 0.88 1.06 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 75 G 8.42 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 76 K 8.30 4.08 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.38 4.23 0.00 1.67 1.55 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.77 4.51 0.00 1.76 1.67 1.03 0.71 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 79 I 7.94 4.23 1.91 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 1.35 0.78 0.96 0.00 0.00 80 G 8.81 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 81 E 9.00 4.80 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 82 H 7.76 4.83 0.00 3.26 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.69 4.27 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 1.49 0.00 0.00 84 K 8.22 3.86 0.00 1.85 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.46 7.81 85 E 7.99 3.95 0.00 1.80 1.79 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 2.36 2.39 0.00 86 M 8.26 4.05 0.00 1.80 2.28 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.22 0.00 87 L 8.28 4.16 0.00 1.87 1.70 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.31 4.03 0.00 2.18 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 2.32 2.53 0.00 89 C 8.51 4.21 0.00 3.28 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 90 D 8.37 4.68 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.16 3.96 0.00 1.87 1.85 0.94 0.66 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 92 K 8.58 4.10 0.00 1.93 1.99 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 L 8.10 3.95 0.00 2.09 1.92 0.84 0.84 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 94 E 8.59 4.09 0.00 2.21 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 2.67 2.50 0.00 95 Q 8.33 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 96 A 8.05 4.26 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 97 G 7.97 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 98 L 7.59 3.97 0.00 1.94 1.70 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.34 0.00 2.32 2.31 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 100 D 7.97 4.36 0.00 2.99 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 0.00 101 L 7.92 4.03 0.00 1.91 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.18 4.02 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 103 A 8.32 4.02 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 0.00 104 A 8.05 3.70 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.96 3.65 2.02 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 1.47 0.92 0.93 0.00 0.00 106 A 8.09 4.00 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 0.00 107 Y 8.12 3.74 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.23 4.03 0.00 3.16 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 0.00 109 E 8.15 3.91 0.00 2.12 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 2.35 2.41 0.00 110 S 7.74 4.14 0.00 3.91 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 0.00 111 V 6.74 4.13 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 0.29 0.00 0.00 0.84 0.00 0.00 112 G 7.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.29 4.44 0.00 2.65 2.48 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 0.00 114 Y 7.27 4.24 0.00 3.09 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 0.00 115 A 8.08 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.39 4.14 0.00 4.20 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 0.00 117 R 7.87 3.91 0.00 1.95 2.21 0.00 3.24 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 118 E 8.42 4.03 0.00 2.22 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 2.60 2.51 0.00 119 L 7.91 3.97 0.00 1.81 1.86 0.93 0.69 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 0.00 120 L 8.03 4.03 0.00 1.92 1.71 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.59 3.98 0.00 2.14 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 2.35 2.56 0.00 122 D 8.18 4.53 0.00 2.88 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 0.00 123 I 7.68 3.55 1.94 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 1.12 0.81 0.77 0.00 0.00 124 L 8.22 3.95 0.00 1.81 1.87 0.99 0.90 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 0.00 125 E 8.28 3.97 0.00 2.20 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 2.35 2.70 0.00 126 S 7.81 4.18 0.00 3.97 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 0.00 127 E 8.56 4.11 0.00 2.16 2.19 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 2.58 2.54 0.00 128 E 8.63 4.10 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 2.37 2.39 0.00 129 D 7.85 4.43 0.00 2.95 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 0.00 130 H 8.27 4.35 0.00 3.28 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.98 3.73 2.09 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 1.45 0.78 0.94 0.00 0.00 132 D 8.20 4.33 0.00 3.00 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 0.00 133 W 8.41 4.09 0.00 3.53 3.47 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 0.00 134 L 8.54 3.84 0.00 1.90 1.71 0.79 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.42 3.93 0.00 1.96 1.96 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 2.31 2.60 0.00 136 T 7.81 3.79 4.16 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 1.11 0.00 0.00 137 Q 7.56 3.58 0.00 1.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.51 3.74 0.00 1.72 1.59 0.86 0.99 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 0.00 139 D 8.03 4.29 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.95 3.96 0.00 1.67 1.75 0.93 1.00 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 0.00 141 I 7.45 3.54 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.33 0.79 0.00 0.00 142 D 7.50 4.31 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.93 4.16 0.00 1.83 1.85 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.69 7.81 144 I 8.32 4.32 1.90 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 1.80 0.71 0.93 0.00 0.00 145 G 7.84 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.50 3.99 0.00 1.76 1.68 0.96 0.92 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 0.00 147 E 8.21 3.96 0.00 2.05 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 2.40 2.41 0.00 148 N 8.10 4.33 0.00 2.94 2.88 0.00 0.00 6.67 7.48 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 0.00 149 Y 7.84 3.97 0.00 3.01 3.17 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 0.00 150 L 8.41 4.05 0.00 1.85 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.94 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 152 S 8.00 4.22 0.00 3.80 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 0.00 153 Q 7.66 4.28 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 154 M 7.67 4.26 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.45 0.00 155 D 7.90 4.52 0.00 2.64 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