NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3974 8.1849 122.4960 54.8432 43.1133 175.8306 3 I 4.0684 8.9802 128.3395 58.9377 38.0615 173.7596 4 T 4.3233 9.4661 116.3155 62.6346 71.0504 174.1996 5 D 4.8391 7.7146 120.8798 51.6122 42.8740 175.7131 6 T 3.8534 8.6416 119.9377 63.9580 68.6545 173.8522 7 L 4.2335 8.4483 127.1317 54.0466 42.5507 177.9723 8 S 4.3536 8.4585 116.5460 57.8886 64.7784 173.6147 9 P 4.3753 0.0000 0.0000 66.0257 31.1760 178.8139 10 Q 3.9494 8.1117 117.4438 59.1179 28.9972 177.6642 11 A 4.0461 8.1729 121.8817 55.3805 18.5276 179.4404 12 F 4.3648 8.9986 119.3584 61.3196 39.4314 176.8983 13 E 3.7626 8.6250 119.5529 59.2192 29.3407 178.7196 14 E 3.9538 8.1192 117.9776 59.3474 29.2961 179.1995 15 A 4.0460 7.5717 120.0197 54.8471 18.5829 179.4332 16 L 4.0555 7.4959 117.2530 58.1444 41.7282 179.9950 17 R 4.2452 8.1976 117.6953 59.0254 29.9194 178.8537 18 A 3.9767 8.1773 120.5583 54.6142 18.3525 179.1760 19 K 4.3285 7.7818 116.5282 58.0715 32.1526 179.0926 20 G 2.6260 7.3654 106.5424 46.5112 0.0000 175.2023 21 D 4.1567 7.1353 120.2921 56.6806 40.7115 177.2700 22 F 4.8086 7.1549 115.2178 57.1368 39.5587 175.4709 23 Y 4.6922 7.9077 123.6919 57.7664 39.2527 176.5157 24 H 4.5586 8.2908 120.5097 57.1717 28.9084 177.1917 25 I 3.1476 7.4046 113.4786 63.6325 37.2867 176.2976 26 H 4.6931 8.1476 116.4598 56.3766 29.2082 175.3398 27 H 3.7003 7.7637 121.3523 54.9536 30.8541 173.7481 28 P 4.2158 0.0000 0.0000 66.1379 31.0157 178.0835 29 Y 3.7953 8.1915 117.7376 60.7867 38.7724 177.2998 30 H 4.0404 8.1845 118.7073 59.2501 30.0946 177.1270 31 I 3.7206 8.0318 121.5000 64.3855 36.8833 178.2375 32 A 4.0562 8.3144 121.9740 55.3818 17.8861 179.5470 33 M 3.8202 7.6555 116.6409 58.8859 31.8143 178.5636 34 H 4.3689 8.3011 117.3612 58.2586 30.0179 176.0119 35 N 4.8177 7.9294 116.4043 52.2766 37.5513 175.3806 36 G 3.3680 7.5291 107.3983 46.0893 0.0000 174.3282 37 N 4.6741 8.0620 114.8518 52.5434 39.3665 175.4036 38 A 4.2114 7.6739 121.9772 51.8546 19.3376 178.1078 39 T 4.2382 8.5202 112.4320 61.0161 71.2152 176.1999 40 R 3.6928 8.1395 121.2339 59.3414 29.9657 178.0902 41 E 3.7735 7.9708 118.6856 59.3714 29.5643 178.7745 42 Q 4.2182 7.7426 119.2024 58.5576 28.7115 178.8315 43 I 3.7516 7.7063 120.7927 64.4941 37.0692 178.6145 44 Q 4.1609 8.3397 119.1892 58.9639 28.5484 179.0468 45 G 3.1631 7.9098 106.7238 46.8787 0.0000 175.7206 46 W 4.1486 8.4976 130.8318 60.4165 30.7993 178.1354 47 V 3.5076 8.4708 118.0880 66.0379 30.8160 177.4669 48 A 4.0093 8.1328 119.3751 55.5591 18.3299 179.0844 49 N 4.4770 8.1753 114.4962 56.4017 38.7866 177.8382 50 R 3.5897 7.9330 119.8305 59.0815 29.8677 178.5058 51 F 3.8219 8.1987 120.4476 61.5862 38.7140 176.5949 52 Y 3.8732 7.8496 118.8727 60.7215 38.6556 177.2893 53 Y 4.0433 7.9819 119.8471 60.9848 38.6495 178.1006 54 Q 3.6208 7.4695 117.5154 58.9149 28.8351 178.5643 55 T 3.7626 7.2822 108.7060 63.6344 69.1289 176.0518 56 T 3.9213 6.8416 117.8891 65.3673 68.7610 176.5367 57 I 3.3876 7.0114 122.1221 64.0950 37.1723 176.4540 58 P 4.1797 0.0000 0.0000 65.7927 30.9939 178.3369 59 L 3.9214 7.6573 118.4018 57.4391 41.4634 179.1254 60 K 3.8204 8.1894 119.9858 59.5484 32.2171 178.7166 61 D 4.6518 8.4253 119.4730 57.2985 40.6527 178.6099 62 A 4.0293 8.1819 121.2564 54.9442 18.1239 179.3678 63 A 3.9032 7.7075 118.5151 55.4478 18.8038 179.7057 64 I 3.7097 7.5370 117.9689 64.7154 37.1832 178.5263 65 M 3.9006 7.8551 118.8732 58.3106 31.6195 178.5663 66 A 4.1097 8.1728 119.6327 54.0468 18.5615 177.6235 67 N 4.6694 7.5689 112.1040 52.9042 39.3466 174.3753 68 C 3.9091 7.6237 120.3650 56.6979 31.4549 171.7617 69 P 4.3803 0.0000 0.0000 62.9730 31.4106 176.9646 70 D 4.4514 6.9989 119.7543 52.7954 40.8638 175.8218 71 A 3.8883 8.3744 129.5571 55.3893 18.3820 178.7649 72 Q 3.8739 7.8838 117.1137 59.6570 29.2786 178.4410 73 T 4.0080 7.6371 116.7982 66.5618 68.4242 176.8175 74 R 3.9389 7.8718 120.0069 59.4529 29.8645 179.0948 75 R 3.9492 7.8136 116.5210 59.3420 29.8936 179.0280 76 K 4.0866 7.7102 116.6804 59.1904 32.0059 179.3306 77 W 3.8212 8.8740 129.3052 60.2546 30.6368 178.3686 78 V 3.6703 8.5103 119.4766 64.5343 30.7352 177.9960 79 Q 3.9164 7.7151 119.9980 59.2805 28.8169 178.5731 80 R 3.8346 7.5128 119.1784 59.0812 29.9187 179.1391 81 I 3.6564 7.5586 119.1366 64.3707 37.3624 178.1160 82 L 3.9875 7.8000 119.7704 58.1182 41.4077 179.4815 83 D 4.3724 8.0757 118.5398 57.4843 40.7877 178.6044 84 H 4.1415 8.2581 116.6997 58.7076 28.6032 177.1572 85 D 4.6027 8.4801 119.1310 53.5108 41.2234 177.9765 86 G 4.1983 8.7040 103.6010 46.1028 0.0000 173.9590 87 S 4.4454 8.0587 110.7684 58.3537 63.4776 173.7362 *91 D 4.2637 8.0340 119.1293 54.0543 39.7916 173.0050 92 G 3.1934 8.6961 106.0579 44.3609 0.0000 174.7991 93 G 3.7130 8.9111 115.8000 47.3474 0.0000 174.7799 94 I 4.2138 7.9413 122.1930 64.1236 37.0147 177.8027 95 E 4.0770 8.5077 119.7965 59.3625 29.4380 178.5305 96 A 4.4047 7.9600 119.6378 55.1698 18.3973 179.7180 97 W 4.0068 8.2785 116.3402 59.8374 29.3888 178.6859 98 L 3.9289 8.3600 119.0085 58.0641 40.9789 179.9265 99 R 3.9415 8.4212 118.1953 58.8973 29.9676 178.8478 100 L 3.9949 8.2451 120.4619 58.1109 42.0474 179.0106 101 G 3.8126 8.4999 106.0608 48.3010 0.0000 175.4140 102 E 4.9742 8.4622 121.4239 58.5190 29.4008 179.2021 103 A 4.1533 7.9452 120.6442 54.4187 18.2918 179.1092 104 V 4.3782 7.6621 108.8415 61.4738 32.0845 176.9141 105 G 4.1463 7.7178 107.7984 45.2465 0.0000 173.2394 106 L 4.6619 8.4948 120.4691 52.9567 43.3530 176.8463 107 S 4.5945 8.8023 118.1760 58.0110 65.1359 175.6549 108 R 3.8379 8.5127 121.7884 59.5822 29.7198 178.8661 109 D 4.2907 8.0212 117.2593 57.2389 41.1168 177.4085 110 D 4.4153 7.6398 118.0739 57.7363 40.8949 179.0709 111 L 3.9365 7.5851 118.4145 57.8373 41.3745 179.6857 112 L 4.3218 8.0206 118.1497 57.5357 41.6187 179.3055 113 S 4.2733 8.4713 114.2423 59.3656 62.8397 174.6651 114 E 4.0271 8.1273 119.6112 57.2831 27.4351 176.7383 115 R 4.1810 8.0047 120.4417 59.2368 30.1523 177.5676 116 H 4.9842 8.2531 112.3175 56.0006 29.5290 175.5209 117 V 3.8225 7.3299 119.4399 62.6427 31.9636 176.0461 118 L 3.1373 8.5610 127.6108 52.9784 43.6983 176.2995 119 P 3.5957 0.0000 0.0000 65.4372 31.2697 179.1150 120 G 3.6195 7.5986 103.8683 47.7632 0.0000 175.5587 121 V 3.4399 7.3069 119.8678 65.6563 31.6628 177.5569 122 R 3.6821 7.4358 118.3136 59.7101 29.7668 178.3843 123 F 4.6368 8.1821 117.3695 60.4974 38.6653 177.5298 124 A 4.0568 7.7371 118.9695 55.3207 18.5416 179.6135 125 V 3.9500 8.1608 116.8242 66.3963 31.5996 178.0049 126 D 4.5173 9.1576 118.8744 57.1670 40.6705 178.2128 127 A 4.2158 8.4151 121.5439 55.7662 18.3119 179.1799 128 Y 4.5919 8.0459 117.1687 61.0575 38.9703 177.7717 129 L 3.9011 8.1058 120.8330 58.2579 42.1003 178.5030 130 N 4.4119 8.6915 116.7424 56.1080 38.4149 177.1408 131 F 4.0735 8.6579 121.8917 61.3682 39.3436 176.9261 132 A 3.8477 8.0225 118.9273 55.3010 18.1614 179.4775 133 R 3.9485 7.9841 115.5875 59.0588 30.2318 178.6458 134 R 4.2800 7.4074 115.2775 56.2611 31.3265 177.0459 135 A 3.9748 7.3451 121.0569 51.0229 19.1001 177.4381 136 C 4.2441 8.0656 115.1922 57.7838 31.6175 174.9844 137 W 4.0420 8.4068 119.7288 59.7144 27.5963 178.4947 138 Q 2.9621 6.1951 118.1355 58.4576 27.7967 178.4773 139 E 3.9727 7.5398 118.6864 59.2711 29.3014 179.2562 140 A 4.3335 7.4491 119.6163 55.0780 18.8114 179.1172 141 A 3.8868 8.1400 119.7289 55.6780 18.3993 179.6856 142 C 4.2621 8.5127 115.6960 62.8485 27.9660 176.1336 143 S 4.5140 7.9645 114.6233 60.3397 62.9108 176.0168 144 S 4.5417 8.4961 118.3357 60.7928 62.9508 175.8109 145 L 4.0447 8.0431 123.2655 57.1976 41.2949 178.9451 146 T 3.1888 7.8325 109.4972 64.0117 68.7396 175.7465 147 E 4.0011 8.0500 121.9367 59.5469 29.1668 179.0453 148 L 3.8973 7.2565 118.1316 57.4257 41.6856 178.6639 149 F 4.5650 6.8716 114.7989 57.8236 39.0664 176.8706 150 A 4.4263 7.4144 122.1139 54.5021 18.4029 176.4805 151 P 4.2644 0.0000 0.0000 62.8583 31.6979 176.2686 *160 S 4.3611 8.5641 117.6439 57.3547 64.3873 175.1239 161 W 4.3767 8.7316 120.3800 59.7540 28.6253 176.1483 162 P 3.7643 0.0000 0.0000 65.6312 30.5302 177.8631 163 Q 3.9561 7.5605 118.3498 58.3412 29.2969 176.4097 164 H 4.2173 7.5391 113.6880 57.5669 29.4420 175.0469 165 Y 4.4784 7.7504 117.0195 55.1515 37.5714 174.2581 166 P 4.4450 0.0000 0.0000 63.3297 31.9614 178.0258 167 W 4.5772 7.2452 115.1493 57.0154 28.8672 176.5822 168 I 3.9850 6.8950 121.5481 61.0687 37.1549 175.7195 169 K 4.2838 8.8666 125.2223 55.6867 32.6385 177.1300 170 E 4.0078 8.9565 123.0023 60.4542 29.1414 179.5287 171 E 4.2448 8.2620 119.3581 58.6347 29.8449 179.6080 172 G 3.7807 8.2177 105.2899 47.8210 0.0000 174.9301 173 Y 4.1704 8.0839 121.5953 60.4713 38.8421 177.7756 174 F 3.9540 8.7491 121.8106 61.6052 39.5215 176.1127 175 Y 3.4501 8.6729 119.4197 60.7226 38.2161 178.1916 176 F 3.9668 8.0823 120.2768 61.3623 39.3749 177.1041 177 R 3.5607 7.5437 117.6624 59.1526 29.5763 178.9520 178 S 3.5126 8.0030 115.6020 61.3651 62.5754 176.5238 179 R 3.6020 7.3959 121.1890 58.4863 29.7785 177.6853 180 L 3.5192 6.6082 119.6767 55.9411 42.3524 177.9758 181 S 4.2441 7.7690 113.0224 57.4668 59.8031 170.6733 *186 D 4.4003 7.9886 127.6600 54.2193 42.5160 175.9004 187 V 3.9302 7.3710 119.5793 64.9266 32.8339 178.1615 188 E 4.1535 8.1866 118.6383 58.7896 29.8925 178.3707 189 H 4.5134 8.1888 117.7781 59.0880 30.0143 177.0472 190 G 3.9094 8.1113 105.7071 46.3337 0.0000 174.6423 191 L 4.2176 7.8362 121.7421 57.0898 42.7258 178.0247 192 A 4.0437 7.4938 118.3819 54.9886 18.2119 179.3931 193 L 4.0037 8.1722 118.7470 58.2458 42.1052 179.1101 194 A 4.2116 7.9195 120.7949 55.2060 18.1458 179.8297 195 K 4.1986 8.4535 116.2600 59.2622 32.1497 179.1663 196 A 4.2507 7.8181 120.1179 55.0935 18.7290 178.6544 197 Y 4.3211 8.2434 117.1915 59.7367 40.1498 175.9587 198 C 4.0782 8.1219 119.2187 58.1574 26.5768 172.5965 199 D 4.7857 7.7537 117.9181 52.4432 40.1168 177.3615 200 S 4.6291 7.1760 113.8658 55.9288 67.4435 174.4512 201 A 3.9007 8.3256 124.2030 55.3417 18.2700 179.9851 202 E 3.8588 7.9951 116.6660 59.3372 29.5791 179.6391 203 K 3.8435 7.8797 118.4274 59.5973 32.1732 178.9567 204 Q 3.4303 7.5649 118.1112 59.4748 28.7361 179.4720 205 N 4.3888 8.4477 117.0895 56.4827 38.5311 177.5984 206 R 3.9455 7.9423 119.6795 59.5740 30.2038 178.2219 207 M 4.1793 8.7059 118.4899 58.6586 32.1750 178.2360 208 L 4.1827 8.3689 119.3847 57.4067 41.6794 179.0080 209 E 3.9389 8.2123 119.1920 59.4431 29.6581 178.9089 210 I 3.6179 8.1397 120.2102 64.3344 37.0725 178.2319 211 L 4.0819 8.1785 121.2979 57.8912 41.9249 178.7396 212 Q 3.9117 8.4434 119.7733 59.2293 29.0250 177.6982 213 F 4.0165 8.3672 121.8993 61.5487 39.3616 177.1037 214 K 3.2546 7.9584 118.6122 59.4253 31.9874 178.6676 215 L 4.1104 8.1055 119.1863 57.9850 41.5459 179.2674 216 D 4.3758 8.5786 119.1579 57.2353 40.7065 178.7262 217 I 3.5446 7.4160 120.2766 64.4171 36.7738 178.2749 218 L 3.7368 7.4859 118.9974 57.5089 41.4365 179.5652 219 W 3.9796 8.1899 128.0007 60.7067 30.7075 178.0073 220 S 4.2193 8.7580 115.4436 62.0844 62.2761 176.7787 221 M 3.9361 7.9933 121.1557 58.4524 31.6323 178.8552 222 L 3.6672 7.3782 117.5408 57.2015 41.5301 179.3270 223 D 4.2846 7.9393 119.0476 57.1967 40.9197 178.2868 224 A 3.8015 7.7102 121.2081 55.7105 18.3076 179.7154 225 M 3.7299 7.5434 116.3612 58.2881 31.8759 179.0993 226 T 4.1082 7.8102 116.2331 67.1008 68.7033 176.2861 227 M 3.9552 8.1374 120.3650 58.3886 31.6012 178.8487 228 A 3.7214 7.5609 120.1289 55.0421 18.3752 178.7458 229 Y 4.3832 7.8475 112.5681 58.7039 39.3823 177.0233 230 A 4.4114 8.2259 121.2006 53.1679 19.6211 177.5690 231 L 4.5466 7.8947 112.8432 53.8828 42.9315 176.6133 232 Q 3.7323 7.7094 116.1459 57.2013 26.9444 174.1767 233 R 4.2666 7.9648 113.0729 54.5598 30.6636 173.6370 234 P 4.3487 0.0000 0.0000 61.2854 32.7572 174.2680 235 P 3.9921 0.0000 0.0000 64.6309 31.5873 175.9628 236 Y 3.8410 8.2800 117.7495 59.1128 35.4741 171.3299 237 H 4.3967 8.1760 118.2492 59.0254 28.3297 176.6105 238 T 4.0504 7.5222 107.7898 62.8276 69.2062 174.7306 239 V 4.1965 7.7488 120.3991 64.0774 33.2975 175.1407 240 T 4.7329 8.1244 111.4507 60.4066 70.3276 173.1877 241 D 4.5932 8.6478 124.7256 55.4920 41.4952 176.9846 242 K 4.2993 7.4081 117.7550 54.3542 33.5218 176.2682 243 A 3.0567 8.1026 124.2673 52.1785 18.1849 177.3710 244 A 4.4508 7.8511 124.0049 51.0535 20.3881 175.9227 245 W 4.6767 7.3566 113.4667 56.1470 28.9858 175.7610 246 H 4.5908 8.9077 115.3845 56.0720 28.6423 175.0780 247 T 4.7529 8.4708 110.3269 61.5491 69.3511 173.4527 248 T 4.7043 7.8693 116.9199 62.4978 72.0223 174.9800 249 R 4.4244 8.4482 124.7120 55.2192 28.7407 176.9938 250 L 4.1097 8.4099 122.6598 57.6837 42.0637 179.5075 251 V 3.8656 7.8167 110.4722 63.5011 31.8422 177.0609 252 L 4.3772 7.8688 118.0664 55.5153 42.4004 176.0777 253 E 4.2456 8.0025 123.1495 56.2249 29.8806 174.7626 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 2 L 8.18 4.40 0.00 1.61 1.67 0.93 0.73 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 3 I 8.98 4.07 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.93 0.00 0.00 4 T 9.47 4.32 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 1.21 0.00 0.00 5 D 7.71 4.84 0.00 2.65 2.60 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 0.00 0.00 0.00 0.00 6 T 8.64 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 7 L 8.45 4.23 0.00 1.76 1.70 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.46 4.35 0.00 4.08 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 9 P 0.00 4.38 0.00 2.24 2.24 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 10 Q 8.11 3.95 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 11 A 8.17 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.00 4.36 0.00 3.09 3.31 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 13 E 8.62 3.76 0.00 2.03 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 2.28 2.31 0.00 14 E 8.12 3.95 0.00 2.23 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 2.57 2.48 0.00 15 A 7.57 4.05 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 16 L 7.50 4.06 0.00 1.74 1.67 0.52 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.20 4.25 0.00 2.03 2.02 0.00 3.14 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 18 A 8.18 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 19 K 7.78 4.33 0.00 2.09 2.01 0.00 1.92 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.72 7.81 20 G 7.37 2.63 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 21 D 7.14 4.16 0.00 1.78 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 0.00 0.00 0.00 22 F 7.15 4.81 0.00 3.19 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.91 4.69 0.00 3.04 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 24 H 8.29 4.56 0.00 3.15 3.50 0.00 5.52 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 25 I 7.40 3.15 1.66 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 1.49 0.25 0.81 0.00 0.00 26 H 8.15 4.69 0.00 3.65 3.61 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.76 3.70 0.00 1.94 2.77 0.00 5.61 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 28 P 0.00 4.22 0.00 2.21 2.13 0.00 3.18 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 29 Y 8.19 3.80 0.00 3.09 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 30 H 8.18 4.04 0.00 3.14 3.35 0.00 5.73 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 31 I 8.03 3.72 1.89 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 1.49 0.86 0.93 0.00 0.00 32 A 8.31 4.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.66 3.82 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.17 0.00 34 H 8.30 4.37 0.00 3.13 3.47 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.93 4.82 0.00 2.86 2.90 0.00 0.00 7.14 7.00 0.00 0.00 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 7.53 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 37 N 8.06 4.67 0.00 2.63 2.80 0.00 0.00 6.84 8.20 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 38 A 7.67 4.21 0.94 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 39 T 8.52 4.24 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 1.17 0.00 0.00 40 R 8.14 3.69 0.00 0.83 1.49 0.00 2.21 0.00 0.00 2.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.00 41 E 7.97 3.77 0.00 2.00 1.91 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 2.28 2.39 0.00 42 Q 7.74 4.22 0.00 2.26 1.90 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 2.49 2.35 0.00 43 I 7.71 3.75 1.91 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 0.76 0.28 0.72 0.00 0.00 44 Q 8.34 4.16 0.00 2.11 2.12 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 2.45 2.49 0.00 45 G 7.91 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 8.50 4.15 0.00 3.84 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 47 V 8.47 3.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.43 0.00 0.00 48 A 8.13 4.01 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 49 N 8.18 4.48 0.00 2.90 2.78 0.00 0.00 7.07 7.80 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 50 R 7.93 3.59 0.00 0.95 1.06 0.00 3.02 0.00 0.00 2.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.67 0.00 51 F 8.20 3.82 0.00 3.26 3.31 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 52 Y 7.85 3.87 0.00 3.05 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 53 Y 7.98 4.04 0.00 2.99 2.99 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 54 Q 7.47 3.62 0.00 1.50 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 55 T 7.28 3.76 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 0.38 0.00 0.00 56 T 6.84 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 57 I 7.01 3.39 1.61 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.57 0.00 0.00 58 P 0.00 4.18 0.00 2.18 2.22 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 59 L 7.66 3.92 0.00 1.71 1.67 0.81 0.56 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 60 K 8.19 3.82 0.00 1.58 1.78 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.92 0.33 7.81 61 D 8.43 4.65 0.00 2.90 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 62 A 8.18 4.03 1.37 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 63 A 7.71 3.90 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 64 I 7.54 3.71 1.74 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 1.39 1.07 0.23 0.00 0.00 65 M 7.86 3.90 0.00 2.06 2.25 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 2.72 2.57 0.00 66 A 8.17 4.11 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 67 N 7.57 4.67 0.00 2.87 2.86 0.00 0.00 6.71 7.11 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 68 C 7.62 3.91 0.00 2.59 2.52 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 69 P 0.00 4.38 0.00 2.18 2.09 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 70 D 7.00 4.45 0.00 2.57 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 0.00 0.00 0.00 71 A 8.37 3.89 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 72 Q 7.88 3.87 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 73 T 7.64 4.01 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 1.05 0.00 0.00 74 R 7.87 3.94 0.00 1.92 1.94 0.00 3.06 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 1.50 1.62 0.00 75 R 7.81 3.95 0.00 1.94 1.99 0.00 3.14 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 1.65 1.85 0.00 76 K 7.71 4.09 0.00 1.96 1.72 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.61 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.59 7.81 77 W 8.87 3.82 0.00 3.57 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 78 V 8.51 3.67 2.16 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 0.78 0.00 0.00 0.93 0.00 0.00 79 Q 7.72 3.92 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 80 R 7.51 3.83 0.00 1.61 1.73 0.00 2.21 0.00 0.00 2.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.00 81 I 7.56 3.66 2.01 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 1.61 0.67 0.93 0.00 0.00 82 L 7.80 3.99 0.00 1.90 1.70 0.95 1.08 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 83 D 8.08 4.37 0.00 2.86 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 84 H 8.26 4.14 0.00 3.30 3.31 0.00 5.80 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 85 D 8.48 4.60 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.70 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 0.00 0.00 0.00 0.00 87 S 8.06 4.45 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 8.03 4.26 0.00 2.90 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 92 G 8.70 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 0.00 0.00 0.00 93 G 8.91 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.94 4.21 2.05 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 1.28 0.58 1.12 0.00 0.00 95 E 8.51 4.08 0.00 2.19 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 0.00 2.51 2.57 0.00 96 A 7.96 4.40 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 97 W 8.28 4.01 0.00 4.14 3.80 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 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8.49 4.66 0.00 1.77 1.53 0.93 0.88 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 0.00 107 S 8.80 4.59 0.00 4.04 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 0.00 108 R 8.51 3.84 0.00 1.85 2.01 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 109 D 8.02 4.29 0.00 2.79 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 0.00 110 D 7.64 4.42 0.00 2.83 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 0.00 111 L 7.59 3.94 0.00 1.42 0.50 0.40 0.30 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 0.00 112 L 8.02 4.32 0.00 1.68 1.82 0.99 1.02 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 0.00 113 S 8.47 4.27 0.00 4.04 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 0.00 114 E 8.13 4.03 0.00 2.37 2.22 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.00 123 F 8.18 4.64 0.00 3.07 2.99 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 0.00 124 A 7.74 4.06 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 0.00 125 V 8.16 3.95 2.56 0.00 0.00 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 1.25 0.00 0.00 126 D 9.16 4.52 0.00 3.08 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 0.00 127 A 8.42 4.22 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 0.00 128 Y 8.05 4.59 0.00 2.99 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 0.00 129 L 8.11 3.90 0.00 1.74 1.82 0.85 0.65 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 0.00 130 N 8.69 4.41 0.00 2.93 2.95 0.00 0.00 6.65 8.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.66 4.07 0.00 3.15 3.54 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 0.00 132 A 8.02 3.85 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 0.00 133 R 7.98 3.95 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 134 R 7.41 4.28 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 135 A 7.35 3.97 0.21 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 0.00 136 C 8.07 4.24 0.00 2.94 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 0.00 137 W 8.41 4.04 0.00 3.37 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 0.00 138 Q 6.20 2.96 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 139 E 7.54 3.97 0.00 2.01 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 0.00 2.53 2.37 0.00 140 A 7.45 4.33 1.22 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 0.00 141 A 8.14 3.89 0.75 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 0.00 0.00 142 C 8.51 4.26 0.00 3.04 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 0.00 143 S 7.96 4.51 0.00 4.21 4.29 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 0.00 144 S 8.50 4.54 0.00 4.30 4.58 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 0.00 145 L 8.04 4.04 0.00 1.76 1.61 0.97 0.61 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 0.00 146 T 7.83 3.19 4.52 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 1.39 0.00 0.00 147 E 8.05 4.00 0.00 2.07 2.03 0.00 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0.00 7.49 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 164 H 7.54 4.22 0.00 2.01 2.02 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 7.75 4.48 0.00 2.05 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 0.00 166 P 0.00 4.44 0.00 2.16 2.10 0.00 3.35 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 167 W 7.25 4.58 0.00 3.51 3.23 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 0.00 168 I 6.90 3.99 1.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.97 0.00 0.00 169 K 8.87 4.28 0.00 1.90 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.47 7.81 170 E 8.96 4.01 0.00 2.21 2.27 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 2.44 2.42 0.00 171 E 8.26 4.24 0.00 2.12 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 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0.00 0.00 0.00 0.00 0.00 209 E 8.21 3.94 0.00 2.26 2.13 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 2.31 2.39 0.00 210 I 8.14 3.62 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 1.03 0.00 0.00 211 L 8.18 4.08 0.00 2.06 1.94 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 212 Q 8.44 3.91 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 213 F 8.37 4.02 0.00 2.97 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 0.00 214 K 7.96 3.25 0.00 1.78 1.94 0.00 0.83 0.00 0.00 0.97 0.00 0.00 2.94 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.49 1.40 7.81 215 L 8.11 4.11 0.00 1.94 1.83 1.22 1.38 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 0.00 216 D 8.58 4.38 0.00 2.76 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 0.00 217 I 7.42 3.54 1.71 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.19 0.83 0.00 0.00 218 L 7.49 3.74 0.00 1.79 1.45 0.78 0.38 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 0.00 219 W 8.19 3.98 0.00 3.62 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 S 8.76 4.22 0.00 4.11 3.93 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 0.00 0.00 0.00 221 M 7.99 3.94 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 222 L 7.38 3.67 0.00 1.17 0.95 0.65 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 223 D 7.94 4.28 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.71 3.80 1.20 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 0.00 0.00 225 M 7.54 3.73 0.00 1.76 1.25 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 226 T 7.81 4.11 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 227 M 8.14 3.96 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 228 A 7.56 3.72 0.42 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 0.00 229 Y 7.85 4.38 0.00 3.19 3.06 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 0.00 0.00 0.00 230 A 8.23 4.41 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 0.00 231 L 7.89 4.55 0.00 1.76 1.66 0.93 0.84 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 0.00 232 Q 7.71 3.73 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.35 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 233 R 7.96 4.27 0.00 1.72 1.68 0.00 3.13 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 0.00 234 P 0.00 4.35 0.00 2.43 2.16 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 235 P 0.00 3.99 0.00 2.26 1.55 0.00 3.79 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 236 Y 8.28 3.84 0.00 3.29 3.03 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 0.00 237 H 8.18 4.40 0.00 3.35 3.66 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 T 7.52 4.05 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 1.05 0.00 0.00 239 V 7.75 4.20 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 0.81 0.00 0.00 nan 0.00 0.00 240 T 8.12 4.73 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 1.39 0.00 0.00 241 D 8.65 4.59 0.00 2.71 2.71 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 0.00 0.00 0.00 242 K 7.41 4.30 0.00 1.67 1.59 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.33 7.81 243 A 8.10 3.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 A 7.85 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 W 7.36 4.68 0.00 3.39 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 0.00 246 H 8.91 4.59 0.00 3.38 3.46 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.47 4.75 4.32 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 1.34 0.00 0.00 248 T 7.87 4.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 249 R 8.45 4.42 0.00 1.97 1.99 0.00 3.19 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 250 L 8.41 4.11 0.00 1.71 1.79 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 251 V 7.82 3.87 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 0.74 0.00 0.00 0.99 0.00 0.00 252 L 7.87 4.38 0.00 1.67 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 253 E 8.00 4.25 0.00 1.93 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 2.24 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.