NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4619 8.3044 120.3272 55.2401 33.1342 173.5121 2 S 4.5056 8.3614 115.1063 55.9310 65.1712 172.9524 3 S 4.1009 8.6152 121.3943 58.7846 63.3107 174.6260 4 Q 4.1862 8.7226 124.1169 57.7859 28.5326 176.5789 5 I 4.2027 7.7986 111.5299 60.8383 39.1335 176.1152 6 R 4.1069 7.2104 121.1940 56.1864 30.0434 175.6954 7 Q 4.2096 8.5885 125.9545 56.2094 30.5202 172.8253 8 N 4.1525 8.9382 125.6088 55.2166 36.8957 173.7457 9 Y 4.6762 7.9211 118.3719 54.7064 39.9557 175.2222 10 S 4.2450 8.1053 123.0487 58.2083 65.3683 175.1569 11 T 3.8499 8.3486 114.4310 64.6342 68.4986 176.6320 12 D 4.2313 7.8183 121.8494 57.3281 41.0221 178.4787 13 V 3.4613 7.5254 118.7248 65.7228 31.3781 177.4195 14 E 3.9652 7.5993 118.8137 59.5356 29.4091 178.8959 15 A 3.9553 7.8595 119.8400 54.8169 18.3783 179.5043 16 A 3.9161 7.9102 119.7219 55.1624 18.4373 180.0688 17 V 3.5724 8.3409 117.1827 66.3372 31.5553 178.0701 18 N 4.3217 8.3677 116.3400 56.2435 38.3827 177.4338 19 S 4.1155 8.2286 114.8431 61.2596 62.5087 175.9792 20 L 4.1150 8.5219 123.3833 57.8238 41.7638 179.2234 21 V 3.7980 7.9923 118.6613 66.1044 31.5715 177.5603 22 N 4.5760 8.0435 116.8898 56.3252 38.6137 176.7100 23 L 3.9580 7.8257 121.5408 58.4279 42.2280 178.5044 24 Y 4.0544 8.4038 116.8099 60.9717 37.7255 178.4775 25 L 3.8420 8.6002 120.3481 58.0055 41.6950 179.4595 26 Q 4.0938 8.2889 119.0655 59.0353 28.9191 178.0900 27 A 3.9284 8.2812 122.0304 55.1845 18.5065 179.3194 28 S 4.3236 8.7271 112.1551 62.0157 62.5998 175.7686 29 Y 4.5084 8.5242 122.2768 61.1273 38.4246 178.0707 30 T 3.7799 8.1645 116.7091 67.1140 68.6033 176.0821 31 Y 4.0182 8.0663 118.4487 60.9401 37.8058 178.3957 32 L 4.1078 8.2119 121.3018 58.5054 42.2463 178.7954 33 S 4.3567 8.2338 112.4229 61.6010 62.4043 176.2905 34 L 3.4862 7.9293 121.8127 57.5114 41.0330 179.5007 35 G 3.8233 8.4853 104.4576 48.2442 0.0000 175.4631 36 F 4.3507 8.4692 119.8804 59.2168 39.0274 177.4059 37 Y 4.1481 8.1858 120.0736 60.7591 38.6975 177.3762 38 F 4.0906 8.4404 116.1603 58.6415 38.8788 176.1967 39 D 4.5017 7.7012 117.0183 54.3935 41.9129 176.5884 40 R 4.0561 7.2196 118.7172 56.4396 30.6358 177.4369 41 D 4.3368 8.6686 121.0214 56.1512 39.5130 177.1849 42 D 4.4755 7.9522 117.4285 54.4785 40.2250 177.0480 43 V 3.6876 7.6347 118.3134 64.6889 32.7852 175.4518 44 A 3.7692 8.2643 119.5208 53.2291 16.0320 177.9475 45 L 4.6742 8.4715 120.1781 51.0358 43.7891 177.6436 46 E 4.0144 8.9104 123.9380 59.3243 29.6191 178.2865 47 G 3.6635 8.1137 104.9597 47.9703 0.0000 175.5455 48 V 3.1279 7.5080 119.9435 65.5346 31.6204 177.8917 49 S 4.1952 8.2200 113.0818 61.5155 62.1494 175.5444 50 H 4.0994 8.8380 121.2491 59.2654 29.5255 176.6226 51 F 3.8279 8.1032 122.5598 61.6051 38.9507 177.2845 52 F 4.3761 7.9475 116.9733 60.6597 38.5871 177.9928 53 R 3.9209 8.1103 117.7334 59.1747 29.7979 178.9575 54 E 3.8395 8.1355 118.6075 59.3164 29.3027 179.4033 55 L 3.5830 7.1179 118.8744 57.4457 41.3742 179.3312 56 A 4.0590 8.1005 120.9235 54.8433 18.1244 179.1336 57 E 3.9637 7.6975 117.9707 59.0323 29.8570 178.3849 58 E 3.8375 8.0200 118.6478 59.3015 29.4591 179.5651 59 K 4.2627 8.3744 118.9007 59.4101 32.1821 179.3599 60 R 3.0342 7.7068 119.1662 59.1686 29.9066 178.4580 61 E 4.0184 8.2841 118.7469 59.0153 29.3687 179.4144 62 G 3.2634 7.7035 106.0331 47.9666 0.0000 175.4187 63 Y 4.3517 7.7844 120.6200 59.0922 37.8518 178.2394 64 E 4.0236 7.5362 120.6423 59.5016 29.7792 178.9343 65 R 3.9553 8.3552 119.0993 59.4453 29.9903 178.5240 66 L 4.2757 8.1485 118.8682 57.9994 41.9024 179.2887 67 L 4.2306 8.2813 118.8147 57.6375 41.4795 179.8325 68 K 3.9027 8.3973 119.8768 59.7361 32.1540 178.4911 69 M 3.7167 7.8171 118.1807 58.4629 31.5407 177.5837 70 Q 3.8665 8.4224 120.0875 59.6536 28.8589 178.6446 71 N 4.3784 8.0354 116.8727 56.2337 38.2860 177.4554 72 Q 3.9077 7.7975 118.8986 59.0154 29.1341 178.7698 73 R 3.8589 7.9476 118.7216 56.9971 29.7399 178.1891 74 G 4.0000 7.2105 106.2892 45.0004 0.0000 173.8906 75 G 3.9995 7.6759 108.9103 44.4021 0.0000 173.5081 76 R 4.4051 8.1855 116.3604 54.0063 32.9313 175.6319 77 A 4.6636 8.4048 125.8120 51.6297 19.0424 176.4408 78 L 4.6005 7.7893 120.1879 52.8608 45.5417 176.0827 79 F 5.0362 8.5822 120.7140 55.8208 41.8543 174.5095 80 Q 4.7156 8.3279 120.6971 53.6377 32.6196 174.7311 81 D 4.5250 8.5584 119.2278 54.9168 41.4448 176.6107 82 I 4.5003 7.9811 120.9343 59.2279 39.0843 176.0396 83 K 4.2082 8.8519 125.9722 55.5810 32.5537 177.2521 84 K 3.7401 8.6125 122.8291 56.1806 32.7732 174.9156 85 P 4.3424 0.0000 0.0000 62.4932 31.9128 177.4770 86 A 3.9584 8.6737 123.1887 54.5982 18.4923 177.5844 87 E 4.3694 6.5797 109.7575 54.6108 33.2321 175.1634 88 D 4.5754 8.1023 118.9622 55.0362 42.0563 177.1427 89 E 4.5402 7.3491 116.3116 54.2670 32.4703 175.4875 90 W 4.3199 6.0957 120.9485 55.7656 30.7406 177.9401 91 G 3.6111 7.5067 107.7929 47.2347 0.0000 175.1864 92 K 4.6531 8.8505 124.8118 54.8504 35.0496 177.1788 93 T 4.1392 8.6678 116.1854 67.0671 68.3263 174.9466 94 P 4.3138 0.0000 0.0000 65.6034 31.3852 178.4741 95 D 4.4160 8.2316 117.1211 57.3548 40.8556 178.4909 96 A 4.1567 8.2362 121.1236 55.5230 18.4984 179.3645 97 M 4.2151 8.6314 117.0564 58.6509 32.2146 178.7124 98 K 4.0201 8.2761 118.6295 59.4454 32.2648 179.1700 99 A 4.0536 8.1054 120.6517 54.9059 18.1438 179.6058 100 A 3.8064 8.1021 119.4041 55.6999 18.5315 179.6009 101 M 4.0282 8.2542 116.4936 58.4953 32.1874 178.2207 102 A 3.9769 8.1791 121.0979 55.0982 18.6203 179.2419 103 L 3.8443 8.0127 118.8079 58.4041 42.0976 179.0406 104 E 4.0241 8.5184 118.6626 59.5165 29.4598 179.5607 105 K 4.0801 8.4775 118.8774 59.2438 32.0439 179.3474 106 K 3.9672 8.3051 120.1907 59.4160 32.0376 178.9846 107 L 3.9047 7.9586 119.3894 57.7037 41.5325 178.8496 108 N 4.3653 8.6294 117.5095 56.5733 38.8003 176.6951 109 Q 3.8824 8.2659 120.7277 59.2944 29.2826 177.9165 110 A 4.0919 7.9531 121.7049 55.2110 18.1851 179.7408 111 L 3.8727 8.2526 117.7367 58.1392 41.7470 179.5896 112 L 4.0145 8.3357 119.2690 57.8866 41.4161 179.4487 113 D 4.3339 8.7554 119.1574 57.3572 40.7799 178.5778 114 L 3.9482 7.9146 120.8162 58.3141 42.0567 178.4788 115 H 4.0874 8.4775 118.2512 59.0138 29.7820 177.0379 116 A 3.9942 8.2974 122.8215 55.3019 18.3217 179.2671 117 L 3.9933 8.3424 119.2449 58.1668 42.0824 179.4664 118 G 3.5943 8.1867 105.6526 47.9196 0.0000 175.6170 119 S 4.1404 8.1872 118.1768 61.1058 62.6869 176.5326 120 A 4.0358 7.8131 121.7657 55.4752 18.2118 179.2380 121 R 4.1846 7.8467 112.6782 55.2296 31.5062 177.0437 122 T 3.4402 7.6562 108.4175 62.9864 67.7913 173.0275 123 D 4.8664 7.9824 122.4930 51.8692 41.6298 174.1238 124 P 4.3595 0.0000 0.0000 65.3040 31.4964 178.0713 125 H 4.1545 8.1789 117.8590 59.1924 29.8634 176.7976 126 L 4.0048 8.1422 121.8206 58.3134 41.8157 178.8530 127 C 3.9447 7.9563 116.4363 62.7748 28.0400 175.5416 128 D 4.3694 8.3389 119.7478 56.9712 40.6590 177.8640 129 F 4.3277 8.4057 121.5073 61.5634 39.3714 177.1700 130 L 3.8034 7.7976 118.1529 57.6089 41.0382 179.4610 131 E 3.9819 8.1790 118.5521 59.9042 29.2485 179.6455 132 T 3.8818 8.0160 114.5768 66.1168 68.5741 175.6953 133 H 4.7019 8.1933 115.7583 55.4996 30.4357 175.3514 134 F 4.6890 7.9219 116.9671 59.0396 40.8632 176.8011 135 L 4.0004 8.1288 118.3780 58.6066 41.5275 179.3679 136 D 4.3887 7.7453 114.2303 57.2477 41.1276 178.3457 137 E 3.9391 8.0223 118.7944 59.4290 29.5841 178.9168 138 E 4.0133 8.5927 118.9774 59.4073 29.5423 179.2288 139 V 3.5711 7.8123 118.1878 66.1984 31.4680 177.9157 140 K 3.8683 8.1200 117.8003 59.5195 31.8992 178.9394 141 L 3.9545 8.0721 120.1777 58.2645 42.0106 178.8226 142 I 3.7278 8.3066 119.9336 64.4299 37.1296 177.8636 143 K 3.7897 8.4818 120.5102 59.6699 31.9528 177.9866 144 K 3.8481 8.3304 119.7372 60.3424 32.0562 178.3780 145 M 4.3009 8.6163 118.9019 58.2407 31.8541 179.0357 146 G 3.6293 8.3969 106.2471 48.1253 0.0000 175.2786 147 D 4.4110 8.1557 122.1332 57.2059 40.8081 178.9314 148 H 4.1464 8.1007 116.4033 58.8881 28.7634 177.6917 149 L 4.0065 8.0392 120.6649 58.2046 41.5139 179.6605 150 T 3.8824 7.9619 115.4579 66.9951 68.2082 176.4102 151 N 4.4472 8.0800 116.8347 55.9237 38.8731 177.3943 152 L 4.1278 8.4129 121.0408 58.0682 41.5350 178.9477 153 H 4.1393 8.5247 117.3904 59.2251 29.8927 177.0592 154 R 4.0195 7.8457 119.3354 58.8020 29.9003 176.7303 155 L 4.3158 7.5556 122.7673 54.9501 41.8972 176.3456 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 8.30 4.46 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 S 8.36 4.51 0.00 3.87 3.70 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 0.00 0.00 0.00 3 S 8.62 4.10 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.19 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 5 I 7.80 4.20 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.88 0.00 0.00 6 R 7.21 4.11 0.00 1.78 1.94 0.00 3.20 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 7 Q 8.59 4.21 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 8 N 8.94 4.15 0.00 2.91 2.95 0.00 0.00 6.94 7.54 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 9 Y 7.92 4.68 0.00 2.82 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 10 S 8.11 4.25 0.00 4.00 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 11 T 8.35 3.85 4.20 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 1.18 0.00 0.00 12 D 7.82 4.23 0.00 2.66 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 13 V 7.53 3.46 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.80 0.00 0.00 14 E 7.60 3.97 0.00 1.91 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 2.31 2.64 0.00 15 A 7.86 3.96 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 16 A 7.91 3.92 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 17 V 8.34 3.57 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 1.10 0.00 0.00 1.03 0.00 0.00 18 N 8.37 4.32 0.00 2.84 2.77 0.00 0.00 6.71 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.23 4.12 0.00 4.06 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 20 L 8.52 4.11 0.00 1.92 1.88 1.03 0.90 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 21 V 7.99 3.80 2.32 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 1.00 0.00 0.00 1.09 0.00 0.00 22 N 8.04 4.58 0.00 2.81 3.00 0.00 0.00 6.91 6.53 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 23 L 7.83 3.96 0.00 2.00 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.40 4.05 0.00 3.59 3.39 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 25 L 8.60 3.84 0.00 1.81 1.62 0.90 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.29 4.09 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 27 A 8.28 3.93 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 28 S 8.73 4.32 0.00 4.30 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 0.00 29 Y 8.52 4.51 0.00 3.21 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 30 T 8.16 3.78 4.10 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 0.76 0.00 0.00 31 Y 8.07 4.02 0.00 3.19 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 32 L 8.21 4.11 0.00 2.15 2.26 1.29 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.23 4.36 0.00 4.08 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 0.00 34 L 7.93 3.49 0.00 1.38 0.94 -0.21 -0.15 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 35 G 8.49 3.82 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 0.00 0.00 0.00 36 F 8.47 4.35 0.00 3.35 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 37 Y 8.19 4.15 0.00 3.46 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.44 4.09 0.00 3.32 3.34 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 39 D 7.70 4.50 0.00 2.81 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.22 4.06 0.00 1.77 1.89 0.00 3.23 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 41 D 8.67 4.34 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.95 4.48 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.63 3.69 1.78 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 0.27 0.00 0.00 0.25 0.00 0.00 44 A 8.26 3.77 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 45 L 8.47 4.67 0.00 1.98 1.63 1.21 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.91 4.01 0.00 2.04 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 2.37 2.38 0.00 47 G 8.11 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 48 V 7.51 3.13 1.68 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 -0.34 0.00 0.00 0.57 0.00 0.00 49 S 8.22 4.20 0.00 4.06 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 50 H 8.84 4.10 0.00 3.22 3.39 0.00 5.69 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 51 F 8.10 3.83 0.00 2.95 2.70 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 0.00 0.00 0.00 52 F 7.95 4.38 0.00 3.18 3.11 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 53 R 8.11 3.92 0.00 1.94 1.94 0.00 2.69 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.84 0.00 54 E 8.14 3.84 0.00 1.73 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 55 L 7.12 3.58 0.00 0.84 0.33 0.47 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.10 4.06 1.48 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 0.00 0.00 57 E 7.70 3.96 0.00 2.01 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 2.23 2.31 0.00 58 E 8.02 3.84 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 59 K 8.37 4.26 0.00 1.98 2.25 0.00 1.95 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.76 1.95 7.81 60 R 7.71 3.03 0.00 1.95 1.97 0.00 3.09 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.65 0.00 61 E 8.28 4.02 0.00 2.04 1.80 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 2.20 2.38 0.00 62 G 7.70 3.26 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 0.00 63 Y 7.78 4.35 0.00 3.34 3.39 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 64 E 7.54 4.02 0.00 2.10 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 2.32 2.28 0.00 65 R 8.36 3.96 0.00 1.98 2.18 0.00 2.66 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 66 L 8.15 4.28 0.00 2.09 1.83 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.28 4.23 0.00 1.97 1.86 1.31 0.52 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 68 K 8.40 3.90 0.00 1.93 2.00 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 69 M 7.82 3.72 0.00 1.86 1.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.23 0.00 70 Q 8.42 3.87 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 71 N 8.04 4.38 0.00 2.94 2.81 0.00 0.00 7.10 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 72 Q 7.80 3.91 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 73 R 7.95 3.86 0.00 0.67 0.68 0.00 2.98 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.00 74 G 7.21 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 0.00 0.00 0.00 75 G 7.68 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 0.00 0.00 0.00 76 R 8.19 4.41 0.00 1.78 1.80 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 77 A 8.40 4.66 0.96 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 0.00 0.00 78 L 7.79 4.60 0.00 1.46 1.44 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.58 5.04 0.00 3.03 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 80 Q 8.33 4.72 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 81 D 8.56 4.52 0.00 2.69 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 82 I 7.98 4.50 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 1.05 0.00 0.00 83 K 8.85 4.21 0.00 2.01 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 84 K 8.61 3.74 0.00 1.74 1.81 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 85 P 0.00 4.34 0.00 2.29 2.27 0.00 3.25 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 86 A 8.67 3.96 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 87 E 6.58 4.37 0.00 1.16 1.12 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 1.56 1.66 0.00 88 D 8.10 4.58 0.00 2.52 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 89 E 7.35 4.54 0.00 1.71 1.80 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 2.23 2.19 0.00 90 W 6.10 4.32 0.00 2.70 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 91 G 7.51 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 92 K 8.85 4.65 0.00 1.95 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.55 7.81 93 T 8.67 4.14 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 94 P 0.00 4.31 0.00 2.22 2.16 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 95 D 8.23 4.42 0.00 3.16 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 96 A 8.24 4.16 1.68 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 97 M 8.63 4.22 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 98 K 8.28 4.02 0.00 2.12 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.60 7.81 99 A 8.11 4.05 1.54 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 0.00 0.00 100 A 8.10 3.81 1.66 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 0.00 101 M 8.25 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 102 A 8.18 3.98 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 0.00 103 L 8.01 3.84 0.00 1.78 1.85 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.52 4.02 0.00 2.22 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 2.68 2.63 0.00 105 K 8.48 4.08 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 106 K 8.31 3.97 0.00 1.81 1.97 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 L 7.96 3.90 0.00 1.88 1.55 0.71 0.10 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 0.00 108 N 8.63 4.37 0.00 2.96 2.97 0.00 0.00 6.87 6.82 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 0.00 109 Q 8.27 3.88 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 A 7.95 4.09 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 0.00 111 L 8.25 3.87 0.00 1.86 1.75 1.14 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.34 4.01 0.00 1.81 1.73 0.94 1.00 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 0.00 113 D 8.76 4.33 0.00 2.84 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 0.00 114 L 7.91 3.95 0.00 1.91 1.87 0.92 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 0.00 115 H 8.48 4.09 0.00 3.23 3.42 0.00 5.65 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 0.00 116 A 8.30 3.99 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 0.00 117 L 8.34 3.99 0.00 1.74 1.86 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.19 3.59 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 0.00 119 S 8.19 4.14 0.00 4.09 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 0.00 120 A 7.81 4.04 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 0.00 121 R 7.85 4.18 0.00 1.79 1.94 0.00 3.44 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 122 T 7.66 3.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 123 D 7.98 4.87 0.00 2.72 2.59 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 0.00 124 P 0.00 4.36 0.00 2.34 2.32 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 H 8.18 4.15 0.00 3.24 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.14 4.00 0.00 1.97 1.86 1.08 0.88 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 0.00 127 C 7.96 3.94 0.00 3.15 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 0.00 128 D 8.34 4.37 0.00 2.82 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 0.00 129 F 8.41 4.33 0.00 3.02 3.25 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 0.00 130 L 7.80 3.80 0.00 1.63 1.63 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.18 3.98 0.00 2.19 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 2.57 0.00 132 T 8.02 3.88 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 1.06 0.00 0.00 133 H 8.19 4.70 0.00 2.76 2.86 0.00 5.60 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 0.00 134 F 7.92 4.69 0.00 2.95 3.08 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 0.00 0.00 0.00 135 L 8.13 4.00 0.00 1.72 1.78 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.75 4.39 0.00 2.81 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 0.00 137 E 8.02 3.94 0.00 2.15 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 2.37 2.24 0.00 138 E 8.59 4.01 0.00 2.18 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 2.65 2.61 0.00 139 V 7.81 3.57 2.25 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 0.94 0.00 0.00 1.01 0.00 0.00 140 K 8.12 3.87 0.00 2.09 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 141 L 8.07 3.95 0.00 1.82 1.85 0.96 0.98 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 0.00 142 I 8.31 3.73 2.04 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 1.47 0.75 0.95 0.00 0.00 143 K 8.48 3.79 0.00 1.82 2.09 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.65 7.81 144 K 8.33 3.85 0.00 2.05 2.07 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 145 M 8.62 4.30 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.87 0.00 146 G 8.40 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.16 4.41 0.00 2.73 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 0.00 148 H 8.10 4.15 0.00 3.22 3.18 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 0.00 149 L 8.04 4.01 0.00 1.87 1.75 0.96 0.65 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 0.00 150 T 7.96 3.88 4.41 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 1.21 0.00 0.00 151 N 8.08 4.45 0.00 2.81 2.87 0.00 0.00 7.13 7.21 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 0.00 152 L 8.41 4.13 0.00 1.88 1.73 0.87 0.92 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 0.00 153 H 8.52 4.14 0.00 3.16 3.38 0.00 5.76 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 0.00 154 R 7.85 4.02 0.00 1.98 2.18 0.00 3.31 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 155 L 7.56 4.32 0.00 1.81 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00