NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6118 8.3349 115.3005 58.3288 63.9650 173.2234 4 R 4.6243 8.7073 117.1090 53.1207 34.0802 175.2658 5 A 4.1686 9.5348 124.5261 55.6011 19.2864 179.3826 6 E 4.2579 8.1453 113.3280 58.6164 29.8336 177.5340 7 D 4.4151 8.4819 118.9673 55.5521 41.1780 175.4550 8 Y 5.0028 7.7799 116.3561 55.9221 41.2139 174.4079 9 E 4.6487 8.5718 122.4439 54.4309 31.9477 175.6595 10 V 3.6151 8.2977 124.7580 63.2288 31.7312 175.4573 11 L 4.3979 8.5457 128.8177 56.5150 42.5410 176.2844 12 Y 4.6388 6.6647 114.2012 56.7457 40.5775 172.6603 13 T 4.5996 8.8359 117.2243 63.7761 68.9563 175.0971 14 I 4.2006 9.2939 128.6299 63.9011 37.8143 176.2470 15 G 4.3489 7.8681 106.4636 45.6606 0.0000 171.5639 16 T 5.0013 8.3398 116.3888 61.4765 72.2591 174.6007 *20 G 4.3115 8.2839 112.9802 45.3899 0.0000 171.7534 21 R 4.9273 8.1894 121.2549 55.0781 34.1862 174.0572 22 C 5.6232 9.5688 122.0788 58.2413 31.7328 173.0931 23 Q 4.9232 9.0677 120.7006 53.9441 33.2658 174.1734 24 K 4.3720 8.6314 125.4385 56.0047 33.2969 175.7435 25 I 4.7125 8.3271 120.0816 58.8799 41.6554 173.9430 26 R 4.8339 8.5898 123.1735 54.3302 33.0321 174.2925 27 R 3.9961 8.8171 127.6555 56.0354 29.3934 177.0932 28 K 3.9278 8.8622 127.1970 59.6514 32.4941 179.6167 29 S 4.3482 8.1098 113.4855 60.8651 62.7766 174.4996 30 D 4.5636 7.2145 115.3200 51.7581 40.6738 176.0121 31 G 3.7736 8.5330 107.9296 45.7891 0.0000 173.5529 32 K 4.0321 7.8429 122.2335 56.1893 33.0652 176.1458 33 I 4.2512 8.3076 129.0487 61.4666 37.9339 175.2344 34 L 4.9241 8.7440 126.0856 53.5987 46.6955 175.2320 35 V 4.9349 8.7086 111.3659 59.8029 36.3871 175.0188 36 W 5.6936 8.8730 118.4157 54.7940 31.9934 173.7142 37 K 5.1458 9.1059 122.6034 54.9484 34.3406 174.5788 38 E 4.5723 9.3001 127.4086 54.7773 31.5207 174.7552 39 L 4.7512 8.7008 125.7228 52.7321 44.2854 175.6484 40 D 4.6677 8.6464 124.5925 53.6184 40.9858 175.2077 41 Y 4.4970 7.6590 124.8227 56.9312 38.7334 177.6405 42 G 3.7045 7.8291 109.8203 47.2892 0.0000 174.2021 43 S 4.6270 7.9582 112.2531 58.1047 62.6408 173.0130 44 M 4.7573 8.3327 118.7565 53.9692 33.6613 176.6292 45 T 4.3134 8.2869 112.6419 61.1734 71.4457 175.8174 46 E 3.9535 8.5947 119.9108 59.3075 29.4005 179.4886 47 A 4.0186 7.8881 120.6115 55.0845 18.5832 179.3555 48 E 3.9441 8.1565 117.1190 59.5097 29.5351 179.7445 49 K 4.0189 8.2437 118.5315 59.2271 32.0866 179.5294 50 Q 3.9808 8.1813 118.6452 58.9333 28.5521 178.4357 51 M 3.9816 8.0399 119.7812 58.3447 31.9992 178.4668 52 L 3.8912 7.8608 120.3049 58.2299 42.2626 179.2509 53 V 3.5425 7.8369 118.3548 65.7324 31.5648 178.1183 54 S 4.0702 7.9603 113.9928 61.5876 62.8665 176.0952 55 E 3.8909 8.1955 122.9602 59.0915 29.3888 179.7546 56 V 3.5257 7.9312 118.0087 66.0253 31.3291 177.8206 57 N 4.4280 7.9760 115.3501 55.8731 38.7270 176.9861 58 L 4.1903 7.8240 120.4169 57.3586 41.3497 179.0752 59 L 3.9455 7.9308 121.4891 58.4943 41.2480 180.4281 60 R 4.1241 7.6866 119.1959 61.2754 29.3124 180.7853 61 E 4.6339 7.7981 116.3936 58.2915 29.9112 176.7266 62 L 4.0235 7.4454 117.2152 55.0324 40.3555 176.2141 63 K 4.4624 8.1856 123.3210 55.1047 33.1534 175.7881 64 H 4.6841 8.2221 122.3140 54.1411 32.6789 172.7827 65 P 4.2455 0.0000 0.0000 65.1318 31.4589 176.6726 66 N 5.1529 8.1986 114.8318 51.9953 38.8925 173.3049 67 I 5.0303 7.5344 118.9858 58.9681 40.1077 175.7443 68 V 3.5168 8.7234 127.0107 63.7551 32.0750 175.3005 69 R 3.9585 9.2889 129.1853 55.9811 31.1008 174.5927 70 Y 4.5842 8.4077 124.8591 57.2242 38.1765 175.1834 71 Y 4.5071 8.9134 123.7378 60.6615 38.7330 175.5808 72 D 5.0415 8.1030 116.5824 52.9270 45.4454 173.7056 73 R 5.2156 8.5782 117.6771 54.4676 32.3595 174.4309 74 I 4.6856 9.2397 123.8907 59.4891 40.5273 174.2920 75 I 4.7873 8.5471 127.1738 59.8224 39.1876 175.5011 76 D 4.8922 8.9993 127.8723 51.9457 40.2964 176.3056 77 R 4.2170 8.4854 123.9745 58.6566 30.8056 178.7415 78 T 3.9121 8.2378 116.2704 66.7992 68.4766 175.2121 79 N 4.6679 8.3652 116.3031 51.2963 38.3754 176.8518 80 T 3.6044 7.0123 104.3036 62.5821 68.2182 171.1817 81 T 4.4835 7.4358 117.2072 62.7277 71.1619 173.3536 82 L 4.9398 8.7890 128.7321 53.7131 44.5478 174.4620 83 Y 4.8567 9.1263 123.8040 56.2601 40.7410 174.6122 84 I 4.8361 8.8291 126.4737 59.9408 39.0547 174.9674 85 V 4.8233 8.8207 128.7334 62.1510 33.0372 174.7894 86 M 5.3517 9.3386 124.7573 53.1842 35.2587 174.0322 87 E 4.5876 8.3728 117.5502 56.8310 30.4945 175.7922 88 Y 4.5273 8.5533 122.1214 56.5573 40.1106 175.0989 89 C 4.3325 7.8662 125.4057 57.5928 27.9185 174.1199 90 E 3.3784 8.0041 123.1087 57.8931 29.3641 178.5116 91 G 3.6810 8.0665 107.9506 45.6791 0.0000 175.0539 92 G 3.8315 8.0767 108.9333 45.1263 0.0000 172.1938 93 D 5.1746 8.2061 118.3885 51.7232 42.9758 176.9716 94 L 4.0661 8.3055 119.2748 57.4622 41.4224 179.5660 95 A 3.9735 7.9137 120.5902 55.5093 18.2339 179.7499 96 S 4.0907 8.0610 113.6562 61.4748 62.8979 177.0246 97 V 3.5462 7.4314 120.4274 66.1830 31.3035 178.2263 98 I 3.7740 8.0825 119.7628 64.5857 36.8551 178.6724 99 T 3.8621 8.1050 116.7161 66.4140 68.2562 176.4499 100 K 3.9075 8.4382 122.1576 59.6665 32.0569 178.9811 101 G 3.5250 8.0215 105.5913 47.9591 0.0000 175.6747 102 T 3.7980 7.9177 118.4000 66.2612 68.2970 176.2248 103 K 3.8789 7.8391 119.7548 59.7242 32.2868 177.8076 104 E 4.3027 8.0543 115.5661 55.2986 29.6116 176.6494 105 R 3.6547 7.5555 116.1210 57.2131 28.4232 176.0060 106 Q 4.3810 7.9417 116.8815 54.2112 31.6316 174.3682 107 Y 4.6261 8.2680 122.7141 57.5104 38.8485 175.4255 108 L 4.2721 8.5594 122.8090 54.2718 42.7798 177.4888 109 D 4.4778 8.8159 121.7531 54.9466 42.1977 177.3880 110 E 4.1674 9.1308 124.4103 59.8760 29.6224 178.8126 111 E 4.0585 8.4133 117.7850 59.6351 29.5327 179.1131 112 F 4.2093 8.2883 119.9321 61.3488 39.5506 177.1634 113 V 3.3781 7.9278 117.8847 65.9238 31.1716 178.0236 114 L 3.8208 8.2769 119.2020 57.5578 41.3689 179.6006 115 R 4.0675 7.8038 119.4244 58.6480 29.9960 179.2870 116 V 3.3359 7.3495 117.8657 65.9346 31.4835 177.6304 117 M 3.8609 7.8871 117.9356 58.9322 32.0589 178.3272 118 T 3.7188 7.8909 115.8125 66.9203 68.6857 176.8793 119 Q 4.0176 8.0482 119.8385 58.8090 28.7321 178.7081 120 L 4.0294 8.3588 120.5658 57.8251 41.5096 179.6523 121 T 3.8886 7.8583 115.9715 66.5242 68.3663 176.8342 122 L 3.9628 7.9938 120.8063 57.4989 41.5950 179.3080 123 A 3.8244 8.0928 120.8094 55.2073 18.2585 179.7130 124 L 3.8018 7.9351 117.3893 57.6740 41.6824 179.4779 125 K 3.8132 8.1947 119.8539 59.6351 31.5745 178.3906 126 E 3.9242 8.0914 119.4085 59.4398 29.3054 178.5797 127 C 4.1986 7.7198 115.8609 63.1520 28.2427 175.5145 128 H 4.4364 8.2417 117.2885 58.8124 28.3474 177.3457 129 R 4.0525 7.8967 119.6974 60.2003 29.8566 178.0411 130 R 4.0843 7.5670 116.4622 57.6605 30.7817 176.9627 *142 L 4.1477 7.3553 128.4241 54.8411 42.3452 175.9850 143 K 4.7552 7.7195 122.0609 54.1850 35.9492 175.9406 144 P 4.1067 0.0000 0.0000 65.6649 31.3004 178.5324 145 A 4.6804 7.7623 118.1317 53.5235 18.6576 177.1818 146 N 4.9285 8.1869 113.0831 52.5587 40.3487 174.1208 147 V 4.7087 7.2876 120.0458 61.0029 34.3662 174.4831 148 F 5.3922 9.4219 126.0645 55.6498 43.0500 173.8737 149 L 5.2636 8.8952 121.6366 53.3730 44.1488 176.5877 150 D 4.9026 8.4499 124.2779 52.4008 41.7481 176.2380 151 G 3.9027 8.5444 106.6747 47.0099 0.0000 174.0282 152 K 4.5584 7.7196 118.6885 56.3239 33.2261 176.4393 153 Q 3.8066 8.5153 114.2719 56.8276 26.1555 173.1609 154 N 5.0386 8.8423 116.0092 52.4382 40.2631 174.1801 155 V 4.9463 9.2968 121.7081 61.1670 34.5924 174.5772 156 K 4.9647 9.4672 126.3082 54.5144 36.3086 175.1010 157 L 4.6202 9.2187 127.8316 54.7916 43.0790 175.4342 158 G 4.5228 8.5553 114.8885 46.2177 0.0000 172.8771 159 D 4.3245 8.5114 120.5550 54.3367 43.9994 177.5833 *178 G 3.7192 8.4648 107.4619 45.0435 0.0000 171.9074 179 T 3.8368 8.2803 120.5977 62.6504 69.5182 174.1542 180 P 4.5796 0.0000 0.0000 61.1746 30.1026 176.1067 181 Y 4.2982 7.7814 119.9504 61.8600 38.5269 177.5401 182 Y 4.9085 8.1147 114.6990 57.7664 38.5411 174.7493 183 M 4.1972 8.1836 121.7881 55.4247 32.6481 176.7799 184 S 2.7900 8.2416 121.3609 56.6650 65.7832 172.7984 185 P 4.0293 0.0000 0.0000 65.8851 31.0701 178.7629 186 E 3.8619 7.6576 115.4697 59.3949 29.4087 178.1806 187 Q 4.1812 7.4460 115.4926 56.5926 29.0577 176.7246 188 M 4.2033 7.5331 118.8794 57.0214 32.6199 175.6851 189 N 4.6754 8.0913 117.3292 54.5824 39.7619 175.9765 190 R 4.1362 7.7778 119.0540 57.0025 33.8502 177.3562 *194 N 4.4917 7.9374 116.5470 53.2873 39.7698 175.4047 195 E 4.0033 8.5687 126.1152 58.9762 29.6146 179.0205 196 K 4.2551 8.3827 118.2489 58.6713 32.1271 179.3618 197 S 4.3333 7.9821 116.1995 61.4734 62.6315 176.1648 198 D 4.4713 8.1397 121.3178 57.3558 40.5895 178.5451 199 I 3.7110 7.5232 119.0398 64.0738 37.1141 178.0683 200 W 4.5621 7.9959 129.8667 60.2519 30.5613 178.1787 201 S 4.2012 8.4789 114.9331 61.4787 62.1636 176.5219 202 L 3.9848 8.4384 123.6822 57.9465 41.7391 179.1194 203 G 3.3831 8.1562 106.1037 48.0644 0.0000 175.4234 204 C 3.5522 7.4858 119.1027 61.9058 27.8735 176.0365 205 L 4.0615 7.1231 123.1777 57.7283 41.8222 179.1029 206 L 3.8366 8.0108 119.2887 57.6327 41.4464 178.9294 207 Y 3.5294 7.9159 119.8569 60.6176 38.7266 177.8483 208 E 5.0062 8.2465 121.4558 58.6001 29.4597 178.6224 209 L 4.0012 7.7907 118.7508 57.7687 41.6775 179.0713 210 C 3.7938 7.3595 115.3598 62.4669 28.0134 175.4768 211 A 4.1316 8.0024 120.8362 51.6653 18.2002 178.1600 212 L 4.3359 8.2638 115.9720 55.0986 40.0497 174.0039 213 M 4.7125 7.2744 114.0264 53.4212 34.0377 172.6116 214 P 4.6803 0.0000 0.0000 61.6961 32.1891 175.1689 215 P 3.1713 0.0000 0.0000 64.2374 31.2383 176.6575 216 F 4.9114 7.8117 117.2742 55.5243 41.1014 174.3870 217 T 4.9812 8.2753 114.6680 60.1496 71.5930 172.6489 218 A 4.3426 8.0402 123.2627 51.7884 21.7516 176.5218 219 F 4.7016 9.1942 118.8672 58.8319 39.6693 177.1546 220 S 4.8594 7.8575 114.5348 55.6612 67.1801 174.4800 221 Q 3.8543 8.5347 123.2090 59.3234 28.7855 178.6363 222 K 3.9388 7.9426 120.2789 59.1837 32.3042 178.3364 223 E 3.9111 8.1788 119.7288 59.0126 29.4984 178.2218 224 L 3.9221 8.1566 120.4371 58.4357 42.1088 178.7774 225 A 3.9774 8.3446 120.8567 55.0215 18.1479 179.6957 226 G 3.5695 8.0426 104.0804 48.0259 0.0000 175.9571 227 K 4.0522 8.1610 121.5473 59.2033 31.8966 179.4812 228 I 2.4781 7.5329 118.9152 64.1203 36.9737 178.4491 229 R 3.9701 7.6274 118.0643 59.1594 30.1136 178.6511 230 E 4.1952 8.2256 118.2964 56.9251 29.1926 177.9556 231 G 4.4687 8.0671 105.9596 46.5929 0.0000 173.2378 232 K 4.3767 7.5058 115.6187 54.3445 34.1629 175.7614 233 F 4.6789 7.0558 115.1703 55.7806 40.1862 173.9539 234 R 4.1870 8.3787 120.3895 55.5415 30.6121 176.9444 235 R 4.0623 8.2980 121.0130 55.9440 30.6661 176.5279 236 I 3.4176 7.3936 117.3881 59.8477 38.1777 174.0766 237 P 4.0379 0.0000 0.0000 62.9850 31.4990 177.3803 238 Y 4.2899 8.1052 118.1298 60.1596 38.0231 177.7021 239 R 3.9141 7.7255 115.5940 58.2638 29.7590 176.3261 240 Y 4.7064 7.3715 117.0709 56.6290 39.0969 176.2172 241 S 4.3613 8.9393 119.4284 58.4138 65.1253 175.2938 242 D 4.4008 8.7424 123.1180 57.8138 40.4348 179.1250 243 E 3.9943 8.1206 118.5415 59.1867 29.6292 178.9976 244 L 3.8578 7.9085 120.3744 58.1162 42.1459 178.2482 245 N 4.1705 8.2084 117.0849 56.9194 38.7522 176.3250 246 E 3.9107 8.6349 120.8916 59.2347 29.7304 178.6190 247 I 3.7402 7.6003 118.6376 63.8687 37.8498 177.8362 248 I 3.5960 7.3687 119.6610 64.6304 37.1910 178.2024 249 T 4.1404 8.1413 116.6538 66.7497 68.3485 176.8239 250 R 3.9756 8.1903 120.0394 59.7193 30.1151 179.0374 251 M 4.2152 8.2509 117.9944 57.3594 31.5720 177.6623 252 L 3.9486 7.0779 117.3824 53.1533 42.4024 176.0717 253 N 4.6196 7.4936 118.2172 53.6189 39.4524 175.1773 254 L 4.1468 8.7548 124.4928 57.2285 42.2629 177.6516 255 K 4.0985 8.2023 119.5805 54.5345 32.8441 177.2384 256 D 4.3630 8.5218 124.5184 56.4562 39.3710 178.0138 257 Y 4.3321 7.3402 115.8956 58.9309 38.2097 175.9680 258 H 4.7737 7.4790 116.7582 56.6687 29.4711 175.9379 259 R 4.3690 7.5516 119.4815 54.9820 30.4858 174.8548 260 P 4.6051 0.0000 0.0000 62.5726 32.1618 176.9078 261 S 4.4907 9.5467 116.4747 57.5600 65.4823 175.4075 262 V 3.5717 8.3892 121.1552 66.6181 30.8942 177.8879 263 E 4.0219 8.1343 117.4422 59.4666 29.1640 179.0263 264 E 4.0122 7.9653 117.8181 59.2784 29.8293 179.1896 265 I 3.8556 8.0809 120.3170 64.4357 37.0131 178.4378 266 L 4.1369 7.6512 117.7637 57.0173 41.5660 178.4487 267 E 4.1301 7.7621 118.1525 56.6847 30.1279 176.2462 268 N 4.4522 7.6902 118.6840 53.2378 39.5041 173.9350 269 P 4.3140 0.0000 0.0000 65.3531 31.7187 177.6286 270 L 3.9987 8.1930 117.8144 57.1815 41.6022 177.2065 271 I 4.1257 7.7557 119.7726 60.1610 37.1058 174.9646 272 L 4.7994 8.3413 124.9235 52.2020 44.9393 177.3541 273 E 3.9191 8.8331 119.9327 59.8367 29.4047 178.4592 274 H 4.4872 8.1460 111.7410 57.9981 28.4585 175.8106 275 H 4.3617 7.8081 117.0464 57.9057 28.8130 175.2678 276 H 4.4663 7.9677 116.9700 54.5303 29.4992 174.6166 277 H 4.5911 8.4479 116.0916 56.2327 28.8397 174.6930 278 H 4.7311 9.1338 118.2676 54.3003 32.4442 173.4516 279 H 4.4164 8.9122 119.8488 56.2161 28.5432 175.2612 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 3 S 8.33 4.61 0.00 3.92 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 4 R 8.71 4.62 0.00 1.98 1.87 0.00 3.23 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 5 A 9.53 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.15 4.26 0.00 1.98 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 2.34 2.43 0.00 7 D 8.48 4.42 0.00 2.40 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 0.00 0.00 0.00 0.00 8 Y 7.78 5.00 0.00 2.59 2.44 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 0.00 9 E 8.57 4.65 0.00 1.81 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 2.21 2.17 0.00 10 V 8.30 3.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.08 0.00 0.00 11 L 8.55 4.40 0.00 1.02 1.57 0.68 0.68 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 12 Y 6.66 4.64 0.00 3.03 3.04 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 13 T 8.84 4.60 4.36 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 1.39 0.00 0.00 14 I 9.29 4.20 2.08 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 1.36 0.53 1.06 0.00 0.00 15 G 7.87 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 0.00 0.00 0.00 0.00 16 T 8.34 5.00 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 1.24 0.00 0.00 *20 G 8.28 4.31 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 0.00 21 R 8.19 4.93 0.00 1.89 1.74 0.00 3.22 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 22 C 9.57 5.62 0.00 2.92 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 23 Q 9.07 4.92 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 24 K 8.63 4.37 0.00 1.27 0.74 0.00 0.66 0.00 0.00 0.92 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.52 7.81 25 I 8.33 4.71 1.17 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.64 -0.54 0.00 0.00 26 R 8.59 4.83 0.00 1.69 1.66 0.00 3.01 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 27 R 8.82 4.00 0.00 1.94 1.82 0.00 2.97 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.00 28 K 8.86 3.93 0.00 1.69 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.29 7.81 29 S 8.11 4.35 0.00 3.89 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 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0.00 0.00 0.00 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 2.24 0.00 39 L 8.70 4.75 0.00 1.44 1.53 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.65 4.67 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.66 4.50 0.00 3.18 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 42 G 7.83 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 0.00 0.00 0.00 43 S 7.96 4.63 0.00 3.79 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 44 M 8.33 4.76 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 45 T 8.29 4.31 4.24 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 1.21 0.00 0.00 46 E 8.59 3.95 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 80 T 7.01 3.60 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 1.18 0.00 0.00 81 T 7.44 4.48 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 0.06 0.00 0.00 82 L 8.79 4.94 0.00 1.89 1.68 1.02 0.73 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 83 Y 9.13 4.86 0.00 2.69 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 84 I 8.83 4.84 2.01 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 1.14 0.57 1.15 0.00 0.00 85 V 8.82 4.82 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 1.10 0.00 0.00 0.96 0.00 0.00 86 M 9.34 5.35 0.00 1.83 1.65 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 87 E 8.37 4.59 0.00 2.10 2.09 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 2.12 2.15 0.00 88 Y 8.55 4.53 0.00 2.80 2.93 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 89 C 7.87 4.33 0.00 2.90 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 90 E 8.00 3.38 0.00 2.09 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 2.27 2.27 0.00 91 G 8.07 3.68 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 0.00 92 G 8.08 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 93 D 8.21 5.17 0.00 2.67 2.50 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 94 L 8.31 4.07 0.00 1.84 1.76 0.89 1.07 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 95 A 7.91 3.97 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 96 S 8.06 4.09 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.30 2.43 0.00 105 R 7.56 3.65 0.00 1.88 1.87 0.00 3.06 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 106 Q 7.94 4.38 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 107 Y 8.27 4.63 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.56 4.27 0.00 1.85 1.80 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.82 4.48 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.13 4.17 0.00 2.24 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 2.45 2.51 0.00 111 E 8.41 4.06 0.00 2.12 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 2.50 2.41 0.00 112 F 8.29 4.21 0.00 3.14 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 0.00 113 V 7.93 3.38 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 0.74 0.00 0.00 0.94 0.00 0.00 114 L 8.28 3.82 0.00 1.55 1.23 0.93 0.68 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 0.00 115 R 7.80 4.07 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 116 V 7.35 3.34 1.85 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 0.82 0.00 0.00 0.18 0.00 0.00 117 M 7.89 3.86 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 118 T 7.89 3.72 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 0.87 0.00 0.00 119 Q 8.05 4.02 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 120 L 8.36 4.03 0.00 1.75 1.66 0.87 0.64 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 0.00 121 T 7.86 3.89 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 1.19 0.00 0.00 122 L 7.99 3.96 0.00 1.88 1.79 0.99 0.98 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 0.00 123 A 8.09 3.82 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 0.00 124 L 7.94 3.80 0.00 1.83 1.53 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.19 3.81 0.00 1.90 1.99 0.00 1.65 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 1.45 1.48 7.81 126 E 8.09 3.92 0.00 1.91 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 2.22 2.35 0.00 127 C 7.72 4.20 0.00 3.07 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 0.00 128 H 8.24 4.44 0.00 3.22 3.47 0.00 5.69 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 0.00 129 R 7.90 4.05 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 130 R 7.57 4.08 0.00 1.87 1.88 0.00 3.42 0.00 0.00 3.30 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 *142 L 7.36 4.15 0.00 1.67 1.78 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.72 4.76 0.00 1.71 1.63 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 144 P 0.00 4.11 0.00 2.16 2.14 0.00 3.47 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 2.13 2.19 0.00 145 A 7.76 4.68 1.25 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 0.00 0.00 146 N 8.19 4.93 0.00 2.81 2.85 0.00 0.00 6.25 8.06 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 0.00 147 V 7.29 4.71 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 148 F 9.42 5.39 0.00 3.04 2.91 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 0.00 149 L 8.90 5.26 0.00 1.63 1.63 1.07 1.34 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 0.00 150 D 8.45 4.90 0.00 2.78 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 0.00 151 G 8.54 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 0.00 152 K 7.72 4.56 0.00 1.74 1.80 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.44 7.81 153 Q 8.52 3.81 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 154 N 8.84 5.04 0.00 2.94 2.74 0.00 0.00 6.47 7.68 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 0.00 155 V 9.30 4.95 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 0.93 0.00 0.00 0.83 0.00 0.00 156 K 9.47 4.96 0.00 1.75 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.38 7.81 157 L 9.22 4.62 0.00 1.76 1.58 1.02 0.89 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 0.00 158 G 8.56 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 0.00 0.00 0.00 0.00 159 D 8.51 4.32 0.00 2.91 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 0.00 0.00 0.00 0.00 *178 G 8.46 3.72 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 0.00 0.00 0.00 179 T 8.28 3.84 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 0.78 0.00 0.00 180 P 0.00 4.58 0.00 2.20 2.17 0.00 3.57 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 2.02 1.91 0.00 181 Y 7.78 4.30 0.00 3.07 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 0.00 182 Y 8.11 4.91 0.00 3.09 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 0.00 183 M 8.18 4.20 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 184 S 8.24 2.79 0.00 3.27 3.48 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 0.00 185 P 0.00 4.03 0.00 1.79 1.84 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 186 E 7.66 3.86 0.00 2.06 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 2.22 2.26 0.00 187 Q 7.45 4.18 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 188 M 7.53 4.20 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 189 N 8.09 4.68 0.00 2.79 2.65 0.00 0.00 6.63 7.59 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 0.00 190 R 7.78 4.14 0.00 1.79 1.60 0.00 3.30 0.00 0.00 3.15 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *194 N 7.94 4.49 0.00 2.72 2.77 0.00 0.00 6.93 7.65 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 0.00 195 E 8.57 4.00 0.00 1.95 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 2.06 2.28 0.00 196 K 8.38 4.26 0.00 1.95 1.89 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.77 7.81 197 S 7.98 4.33 0.00 3.98 3.89 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 0.00 198 D 8.14 4.47 0.00 2.96 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 0.00 199 I 7.52 3.71 2.08 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 1.67 0.95 0.93 0.00 0.00 200 W 8.00 4.56 0.00 3.50 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 S 8.48 4.20 0.00 4.19 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 0.00 202 L 8.44 3.98 0.00 1.70 1.79 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.16 3.38 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 0.00 204 C 7.49 3.55 0.00 1.80 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 0.00 0.00 0.00 205 L 7.12 4.06 0.00 1.85 1.73 0.98 0.52 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 0.00 206 L 8.01 3.84 0.00 1.51 1.50 0.78 0.49 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 0.00 207 Y 7.92 3.53 0.00 2.76 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 0.00 208 E 8.25 5.01 0.00 2.20 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 2.35 0.00 209 L 7.79 4.00 0.00 1.74 1.66 0.81 0.95 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 0.00 210 C 7.36 3.79 0.00 2.43 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 0.00 211 A 8.00 4.13 1.04 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 0.00 212 L 8.26 4.34 0.00 1.92 1.83 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 213 M 7.27 4.71 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 214 P 0.00 4.68 0.00 2.13 2.04 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.69 0.00 215 P 0.00 3.17 0.00 0.49 0.49 0.00 3.45 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.00 216 F 7.81 4.91 0.00 3.14 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 0.00 217 T 8.28 4.98 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 1.23 0.00 0.00 218 A 8.04 4.34 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 0.00 219 F 9.19 4.70 0.00 3.10 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 0.00 220 S 7.86 4.86 0.00 4.02 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 0.00 221 Q 8.53 3.85 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 222 K 7.94 3.94 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.48 7.81 223 E 8.18 3.91 0.00 2.15 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 2.34 2.36 0.00 224 L 8.16 3.92 0.00 1.81 1.74 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 225 A 8.34 3.98 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 0.00 226 G 8.04 3.57 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 0.00 0.00 0.00 227 K 8.16 4.05 0.00 2.07 2.14 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.71 7.81 228 I 7.53 2.48 1.74 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 0.99 0.22 0.54 0.00 0.00 229 R 7.63 3.97 0.00 1.95 1.93 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 230 E 8.23 4.20 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 231 G 8.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 K 7.51 4.38 0.00 1.87 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.49 7.81 233 F 7.06 4.68 0.00 2.59 2.38 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 0.00 234 R 8.38 4.19 0.00 1.95 1.93 0.00 3.25 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 235 R 8.30 4.06 0.00 1.70 1.56 0.00 3.23 0.00 0.00 2.72 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 236 I 7.39 3.42 1.36 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.20 0.00 0.00 237 P 0.00 4.04 0.00 1.68 1.60 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.73 0.00 238 Y 8.11 4.29 0.00 2.98 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 0.00 239 R 7.73 3.91 0.00 1.66 1.88 0.00 2.72 0.00 0.00 2.63 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 240 Y 7.37 4.71 0.00 3.00 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 0.00 241 S 8.94 4.36 0.00 4.24 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 0.00 242 D 8.74 4.40 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 E 8.12 3.99 0.00 2.06 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 2.41 2.43 0.00 244 L 7.91 3.86 0.00 1.87 1.80 0.78 0.40 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 0.00 245 N 8.21 4.17 0.00 2.85 2.97 0.00 0.00 6.91 7.23 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 0.00 246 E 8.63 3.91 0.00 2.18 2.09 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 2.31 2.36 0.00 247 I 7.60 3.74 1.84 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 1.47 1.16 0.92 0.00 0.00 248 I 7.37 3.60 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.76 0.00 0.00 249 T 8.14 4.14 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 1.33 0.00 0.00 250 R 8.19 3.98 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 251 M 8.25 4.22 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 252 L 7.08 3.95 0.00 1.51 1.13 -0.30 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 253 N 7.49 4.62 0.00 2.96 2.81 0.00 0.00 7.10 7.76 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 0.00 254 L 8.75 4.15 0.00 1.71 1.70 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 255 K 8.20 4.10 0.00 1.30 0.74 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.30 7.81 256 D 8.52 4.36 0.00 2.85 3.04 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 0.00 257 Y 7.34 4.33 0.00 3.04 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 0.00 258 H 7.48 4.77 0.00 3.36 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 R 7.55 4.37 0.00 2.00 1.91 0.00 3.42 0.00 0.00 3.67 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 260 P 0.00 4.61 0.00 2.18 2.06 0.00 3.78 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 1.99 1.95 0.00 261 S 9.55 4.49 0.00 4.16 4.07 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 0.00 262 V 8.39 3.57 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 1.07 0.00 0.00 1.01 0.00 0.00 263 E 8.13 4.02 0.00 2.11 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 2.42 2.48 0.00 264 E 7.97 4.01 0.00 2.19 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 2.37 0.00 265 I 8.08 3.86 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 1.50 1.20 0.87 0.00 0.00 266 L 7.65 4.14 0.00 1.67 1.75 0.96 0.76 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 0.00 267 E 7.76 4.13 0.00 1.92 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 0.00 2.33 2.32 0.00 268 N 7.69 4.45 0.00 2.85 2.71 0.00 0.00 7.05 7.57 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 0.00 269 P 0.00 4.31 0.00 2.09 2.12 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 270 L 8.19 4.00 0.00 1.71 1.70 0.88 0.69 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 0.00 271 I 7.76 4.13 2.02 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 1.21 0.46 0.91 0.00 0.00 272 L 8.34 4.80 0.00 1.61 1.61 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 273 E 8.83 3.92 0.00 1.97 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 2.32 2.25 0.00 274 H 8.15 4.49 0.00 3.28 3.39 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 H 7.81 4.36 0.00 3.30 3.26 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 0.00 276 H 7.97 4.47 0.00 3.18 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 H 8.45 4.59 0.00 3.19 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 H 9.13 4.73 0.00 3.05 3.20 0.00 5.85 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 0.00 279 H 8.91 4.42 0.00 3.20 3.26 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.