NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.5729 8.4401 120.1824 55.8640 30.3345 174.5600 4 A 4.1108 8.7115 126.7631 49.3681 18.9545 174.8740 5 P 4.4216 0.0000 0.0000 62.7019 32.8013 174.1258 6 F 4.7336 7.4085 114.7165 55.7970 40.7280 173.5371 7 Y 4.8119 8.5518 118.3891 57.5263 38.9856 175.3060 8 R 4.7101 8.1181 118.4793 54.8940 33.9935 175.2970 9 D 5.0097 8.5794 125.5661 53.7526 40.0137 176.6155 10 T 5.1920 7.6798 114.4241 61.6452 72.6216 173.9676 11 W 5.0776 8.6968 122.3651 55.3726 32.0895 173.4947 12 V 4.3523 8.5307 121.8101 61.7295 33.0474 174.2663 13 E 5.0605 8.9548 127.1570 54.5742 32.2111 174.8946 14 V 4.5752 8.3823 125.0594 61.1683 34.1127 174.1190 15 D 4.9752 9.2778 129.7293 53.1648 40.9789 176.8851 16 L 4.2059 9.0864 128.2288 57.6135 41.7157 179.1866 17 D 4.3705 8.3422 118.9763 57.1796 40.6540 178.5969 18 A 4.2999 8.0819 120.7119 55.2727 18.4045 179.7034 19 I 3.8348 7.7186 119.1215 64.0944 37.1767 177.6654 20 Y 3.9257 8.3484 120.6471 60.9716 38.5287 178.1596 21 N 4.2507 8.6220 117.4898 56.2480 38.5631 177.1789 22 N 4.3472 8.4676 118.2882 56.3388 38.4494 177.6236 23 V 3.4706 7.5219 118.1956 66.2064 31.6729 177.7635 24 T 3.8147 7.4875 114.3383 67.0364 68.4457 175.9728 25 H 4.1642 8.1777 118.3153 58.5517 28.5824 178.5690 26 I 4.0331 7.8170 120.6347 61.7401 36.7340 177.8976 *28 E 4.2891 8.1858 121.3698 56.3178 31.3774 177.2275 29 F 4.3593 7.9332 120.4902 60.1247 39.7407 175.7239 30 I 4.2368 7.5397 112.7808 58.6101 39.2151 173.6976 31 P 4.3973 0.0000 0.0000 62.6394 31.6569 177.9765 32 S 4.2220 8.6090 115.0520 60.7253 63.1444 174.6539 33 D 4.8111 8.0365 119.1477 52.8171 39.4236 175.4054 34 V 4.6355 7.5011 119.3782 61.7832 33.2439 175.3505 35 E 4.5831 9.1388 127.3306 55.6901 32.0651 175.0542 36 I 4.9625 8.0587 121.2557 59.6894 40.1979 174.8612 37 F 4.9493 9.6530 127.0038 56.8316 40.4535 174.7595 38 A 4.4973 9.1842 127.2546 51.2399 19.5922 176.4234 39 V 4.4585 8.6307 124.4679 62.5869 32.4149 176.2239 40 V 4.6260 8.6117 123.2847 58.0587 33.9129 177.0559 *42 G 3.8437 8.1353 118.7701 45.8487 0.0000 170.6203 43 N 2.0000 7.8061 112.1380 54.4518 38.3898 173.2570 44 A 3.8878 8.3599 114.6380 54.3820 16.9316 177.2033 45 Y 3.6634 8.3929 110.6349 58.5304 35.7819 173.2068 46 G 4.1377 7.8963 105.3749 46.9699 0.0000 174.5658 47 H 4.4370 8.1353 115.8514 55.8709 29.0829 175.0829 48 D 5.4984 8.6651 120.1343 56.2864 41.2537 174.6385 49 Y 4.3310 8.0713 119.4198 61.7755 38.3358 179.4803 50 V 3.6180 8.0198 117.3794 65.6142 32.0472 175.4529 51 P 4.2078 0.0000 0.0000 65.5323 31.5308 178.0790 52 V 3.6956 7.8233 116.7353 66.0834 31.7292 178.4609 53 A 4.1909 8.0100 119.7873 53.1994 18.2171 178.7402 *55 I 4.1073 7.8574 120.8677 62.3698 40.0676 177.7305 56 A 3.9317 8.2795 123.2688 55.1453 18.7622 179.5575 57 L 4.4539 8.0898 115.3950 57.4190 41.9145 179.2503 58 E 3.9115 8.2983 117.7405 59.1781 29.5913 177.4174 59 A 3.4098 7.7898 119.4852 52.2050 18.4683 177.5246 60 G 3.9077 7.5951 102.3413 44.9086 0.0000 174.6248 61 A 4.1495 8.2621 124.1225 52.4563 18.8384 178.0575 62 T 4.6137 8.1574 109.3602 61.6248 70.5512 174.0378 63 R 4.8172 7.6519 120.0324 54.7222 35.2169 173.6183 64 L 5.5262 9.0385 119.5126 53.1511 46.0512 175.6750 65 A 5.3195 9.0013 121.7309 50.6378 23.0034 175.5567 66 V 4.7679 8.7128 112.6840 59.8449 36.2874 176.3099 67 A 4.4501 9.5361 122.8711 54.3613 20.1207 177.6632 68 F 4.9388 7.6280 107.9691 54.2134 41.2539 174.8571 69 L 4.0171 8.9609 122.2339 58.5289 41.8663 178.4687 70 D 4.4134 8.4606 118.2969 57.5891 40.2338 178.6113 71 E 3.3688 7.4533 118.2951 59.0290 29.2970 179.2241 72 A 3.9818 7.7391 120.3727 55.1238 18.4302 179.5474 73 L 3.9255 7.7845 117.5493 57.5300 41.3924 179.6789 74 V 3.4911 7.2031 117.2902 66.0053 31.7153 177.8176 75 L 4.1328 7.4193 117.6147 57.9595 41.5306 179.7012 76 R 4.1243 8.1226 118.0394 59.4716 29.7969 179.3931 77 R 4.0428 8.1190 116.4468 58.4765 30.0974 177.9324 78 A 4.3840 7.5181 118.2414 52.0388 18.7177 178.0510 79 G 3.8837 7.9356 106.0702 45.2896 0.0000 174.0396 80 I 3.9356 7.5071 120.8702 61.2811 37.4976 175.8703 81 T 4.4195 8.3151 113.3760 61.0478 69.9519 174.4294 82 A 4.1381 7.7741 124.9713 51.4962 19.1835 175.3607 83 P 4.4779 0.0000 0.0000 63.0664 32.8611 175.5702 84 I 5.1008 8.3209 122.5781 59.4841 41.2974 173.7602 85 L 5.1040 8.8519 128.7073 53.1344 44.7204 175.2461 86 V 4.2736 8.7870 127.2188 62.8588 31.8951 176.4559 87 L 4.0965 9.0690 129.3067 57.1265 42.5334 177.7016 88 G 4.1580 7.7571 105.8185 44.4159 0.0000 171.9478 89 P 4.8368 0.0000 0.0000 62.5816 32.1681 175.8817 90 S 4.9213 8.2767 114.7001 55.9855 66.8901 172.4424 91 P 4.7019 0.0000 0.0000 61.8824 32.2272 175.6897 92 P 3.2550 0.0000 0.0000 65.1623 30.8301 178.7729 93 R 4.0356 7.8585 113.3456 58.4765 29.4551 177.5079 94 D 4.6545 8.2838 119.2248 55.3890 41.0098 177.8576 95 I 3.9472 7.7105 120.5739 64.5451 37.9679 177.4749 96 N 4.5174 8.1703 116.6894 56.1354 38.5266 177.6058 97 V 3.6146 7.8392 119.1204 65.8213 31.6796 177.7452 98 A 4.0455 8.5653 120.7731 55.1032 18.2660 179.3334 99 A 4.0307 8.1221 119.2721 55.5573 18.3063 179.4913 100 E 4.0116 8.4458 116.6162 58.8365 29.6733 177.7606 101 N 4.7818 7.9046 113.8307 51.6916 39.3285 174.1822 102 D 4.3756 7.9310 118.4290 55.5075 40.2760 173.3907 103 V 4.6176 7.9559 116.6869 60.8926 33.4688 175.0301 104 A 4.5837 8.9791 130.0323 51.5735 20.2044 176.1351 105 L 5.0594 8.4744 120.1940 53.0587 45.3497 175.8148 106 T 4.8107 8.1279 119.0837 63.6143 69.0828 174.5396 107 V 4.0212 8.8058 126.3139 60.7568 34.7446 176.4947 108 F 3.8844 7.5465 118.6676 57.5262 40.1682 173.8645 109 Q 4.1206 6.6861 121.3172 55.2001 31.3775 175.2064 *111 E 4.2829 8.7576 116.1792 57.2731 31.9092 177.8215 112 W 3.9389 8.1816 127.5108 60.4024 30.7175 177.9423 113 V 3.7417 7.9826 117.7195 66.2641 30.7656 177.4547 114 D 4.3661 8.1244 116.6644 57.7374 40.7436 178.4539 115 E 4.0166 8.0196 117.4245 59.1153 29.7553 178.8043 116 A 3.9002 8.1490 121.2234 54.8816 18.0868 180.0620 117 I 3.8592 7.6119 115.8241 62.1738 37.8355 177.1837 *119 L 4.2206 7.8639 119.2596 53.7005 43.3332 177.2617 120 W 4.3014 7.9698 130.3259 57.5262 30.8268 175.9012 121 D 4.1275 8.4784 124.0680 53.7105 39.0854 177.3857 122 G 2.2687 5.3800 108.5202 44.8820 0.0000 174.4788 123 S 4.5632 6.9517 111.3596 59.1194 66.2266 175.0684 124 S 4.3536 8.9049 116.3972 59.1859 63.0422 173.4758 125 T 4.9338 8.6410 121.1137 62.6066 70.0375 173.5273 126 M 5.0174 8.9935 129.2081 54.1527 35.8415 173.8853 *128 Y 5.1386 8.2507 113.9068 57.6625 40.2994 173.5311 129 H 5.4603 9.0576 116.9336 54.2285 32.3073 173.3624 130 I 4.7681 8.5920 123.8528 60.4671 38.0258 174.2973 131 N 3.9756 8.3519 125.6606 51.9132 40.1539 173.1968 132 F 5.0609 8.6787 125.7122 55.9772 41.3630 174.6233 133 D 4.5417 9.0286 125.0707 53.2406 41.7063 176.1221 134 S 4.6529 9.5522 119.3004 57.2995 63.2515 174.2566 135 G 3.5463 8.3010 112.1428 45.7564 0.0000 174.6692 136 M 4.0830 8.1305 121.9656 56.5340 32.5339 177.5930 137 G 3.9117 8.8026 105.4260 46.1004 0.0000 173.8919 138 R 4.1202 6.7090 117.4002 55.9223 30.7764 176.9339 139 I 4.3666 7.2691 111.6908 58.6088 41.3420 174.9867 140 G 3.4836 6.7159 106.0663 44.9604 0.0000 173.6462 141 I 4.2654 8.3193 120.9562 61.2342 37.6556 177.4192 142 R 4.6490 9.4818 122.7403 56.1817 32.4691 176.0390 143 E 4.7016 8.1375 115.8150 54.0880 33.1440 176.8411 144 R 2.8605 7.1003 118.0142 56.8299 29.6747 177.0576 *146 E 4.3611 8.3199 118.3017 55.8062 31.1742 178.8133 147 L 4.2605 8.0912 119.3889 55.4919 41.8234 178.8371 *149 G 3.8334 8.1985 107.1206 45.0516 0.0000 174.7835 150 F 4.4301 8.4070 122.3608 61.1719 39.7521 179.0134 151 L 3.6417 8.1538 121.1606 54.4790 40.7670 179.4290 *153 S 4.4136 8.2282 115.2134 58.3382 64.9599 175.7469 154 L 3.7857 7.4176 120.4871 56.9360 41.5012 179.1182 155 E 3.8448 7.5218 117.0118 59.0431 29.3681 178.0142 156 G 3.8600 7.8931 104.9640 45.6083 0.0000 173.9679 157 A 4.1488 7.5404 122.8226 49.2449 18.4540 175.4084 158 P 4.2332 0.0000 0.0000 63.9721 32.1934 178.4049 159 F 4.3433 7.0342 113.2795 57.4666 38.3186 174.2432 160 L 5.0401 6.7997 122.5413 53.3483 42.6890 175.4360 161 E 4.6383 9.1119 126.0024 53.9040 31.5297 175.2298 162 L 2.9683 8.4230 129.8183 54.9888 42.0900 175.7107 163 E 4.3214 8.6961 127.4918 57.6373 31.6674 175.1334 164 G 4.2974 7.2152 104.2721 45.0619 0.0000 172.1984 165 V 5.3926 8.7550 118.9517 61.7057 35.3436 173.4322 166 Y 5.6084 8.8434 123.9236 56.3350 41.9453 173.0696 167 T 4.6638 7.4915 113.4074 59.5796 71.7736 171.2780 168 H 4.8290 8.0186 121.1743 54.3547 32.9751 172.3896 169 F 4.9870 8.4381 123.2539 56.5372 40.1205 175.8593 170 A 4.4686 9.6352 128.1393 53.6944 19.3967 178.2324 171 T 4.7209 7.9817 103.8803 61.3312 69.8165 175.5760 172 A 4.1931 8.5065 125.9100 54.9275 18.4974 178.5549 173 D 4.7870 8.1083 114.0795 52.9791 39.7996 175.7005 174 E 4.8932 7.8940 119.2504 54.9088 31.3960 176.4833 175 V 3.8993 8.9042 117.6454 64.5207 31.8326 176.8364 176 E 4.2340 8.0869 119.2434 56.1954 30.2832 175.9478 177 T 4.6802 8.3381 114.0154 61.6299 69.4732 176.1092 178 S 4.1284 8.6656 119.9596 62.4523 62.9512 175.4212 179 Y 4.0928 8.1283 119.3840 60.4133 39.1348 176.4694 180 F 4.3207 8.6006 121.6903 61.4786 39.7432 177.7169 181 D 4.4044 8.1733 118.1981 54.8331 40.1274 178.3935 *183 Q 4.3374 8.1881 119.5053 56.3027 30.9595 176.9692 184 Y 4.0959 7.9457 118.2938 60.9939 38.7147 178.1003 185 N 4.1771 8.2151 117.1910 56.5260 38.4937 177.6134 186 T 3.6608 7.6410 116.7100 66.4561 68.5158 176.3541 187 F 4.1934 8.2292 124.3110 60.6217 39.3427 177.2284 188 L 3.4771 7.4411 118.7266 57.2510 41.0735 178.9537 189 E 3.4969 7.3588 118.4628 59.2286 29.5194 178.6210 190 Q 2.0000 6.9880 117.9916 58.0424 28.6321 178.6555 191 L 3.5835 6.9477 120.4264 57.7365 41.3280 179.8044 192 S 4.1368 7.1376 112.8657 60.6775 63.1829 176.3733 193 W 4.2681 7.3577 122.8742 59.4814 28.6788 179.1100 194 L 4.0870 7.4126 115.2926 55.4871 40.7927 178.6777 *196 E 4.0411 8.2543 121.1233 56.0962 30.8972 176.3219 197 F 4.9453 7.8762 114.3077 57.3107 38.9790 176.1570 198 G 3.8812 8.3829 108.0219 46.0045 0.0000 173.3337 199 V 4.3069 7.8774 119.2356 60.3832 33.1253 174.6770 200 D 4.7086 8.6903 127.5466 53.0852 42.8656 173.3040 201 P 4.6633 0.0000 0.0000 62.5076 30.5732 178.5831 *203 F 5.0102 8.8197 126.3646 58.1832 40.2411 171.3566 204 V 5.4451 9.2590 126.6842 60.5616 34.0710 174.1239 205 H 5.5372 8.6772 121.7227 54.0494 31.2605 173.9752 206 T 4.4560 9.1030 108.6928 60.1131 70.9639 173.7138 207 A 4.9397 8.0789 125.6966 50.8224 20.4433 176.7904 208 N 5.6642 8.6243 122.8013 51.5046 41.0423 175.5498 209 S 4.1127 8.7785 114.8953 62.1532 63.0198 176.5249 210 A 3.8673 8.0507 122.4209 55.1406 18.2654 179.3842 211 A 3.9799 8.4926 119.2545 55.6021 18.2831 179.8622 212 T 4.0181 7.9427 113.1550 66.6872 68.6788 175.9178 213 L 4.1240 7.5907 117.2421 54.6855 41.8015 176.8940 214 R 4.1607 7.1097 115.6761 56.9917 32.0796 175.9744 215 F 5.1436 7.5770 114.7404 55.4226 41.2398 175.4290 216 Q 4.2621 8.6757 122.1335 56.7320 29.6585 176.0210 217 G 3.8118 8.8816 107.6924 46.1324 0.0000 173.7824 218 I 4.8024 7.7172 109.9949 60.6026 38.1009 176.5237 219 T 4.3214 8.0403 113.4899 63.0588 70.2552 176.3264 220 F 3.5641 7.3159 119.2884 58.9488 38.6074 177.6759 221 N 4.7531 9.5752 127.5300 54.8344 38.8250 173.8722 222 A 5.1127 7.4431 117.8019 51.3461 23.3232 175.6524 223 V 4.5566 8.8933 112.8454 59.6476 36.1366 175.4993 224 R 5.0188 9.3224 121.9199 54.8773 32.4157 174.7255 225 I 4.1511 8.8306 126.3666 60.9961 38.9939 175.1920 226 G 3.7364 8.9605 115.8174 44.9327 0.0000 174.6236 227 I 3.6433 8.8781 119.1966 64.1150 38.6814 176.4449 228 A 4.0914 8.1071 121.1517 55.1115 17.6575 179.2607 229 M 3.8170 7.8381 117.0300 58.6872 31.7561 177.2794 230 Y 4.3497 7.1319 114.5383 58.1259 38.0049 176.4791 231 G 4.3046 7.8790 107.5963 46.8746 0.0000 173.2932 232 L 4.8036 7.3598 117.2858 52.1073 44.7616 176.5341 233 S 4.2149 8.3557 116.0803 57.2917 63.0607 172.3763 234 P 4.5453 0.0000 0.0000 65.6851 31.3700 176.9997 235 S 4.7266 7.4980 110.4340 55.8927 66.8949 175.3035 236 V 3.6023 8.3279 116.6181 64.5568 31.3982 178.3963 237 E 4.1294 8.0942 116.3503 58.6387 30.1349 178.1645 238 I 2.9004 7.3551 112.5674 61.1630 37.9622 177.5185 239 R 3.6239 7.2418 121.5842 59.2174 29.5913 176.3864 240 P 4.2438 0.0000 0.0000 64.6590 31.4706 176.9101 241 F 4.9456 6.8600 111.1555 56.0977 37.0329 175.5907 242 L 3.8766 7.2772 121.4613 54.8520 41.7538 176.7071 243 P 4.6313 0.0000 0.0000 64.8826 33.3797 176.0740 244 F 4.6530 6.7263 113.8725 56.8211 43.8810 176.9525 *246 L 4.1633 8.9173 113.1679 54.3708 43.0331 175.9220 247 E 4.5053 8.9533 122.0920 53.7529 30.0593 174.0442 248 P 4.7248 0.0000 0.0000 62.8796 32.1700 176.5065 249 A 4.4964 8.8980 124.2995 52.8916 20.6547 176.5501 250 L 5.2150 8.0298 116.9556 53.4365 43.9229 176.0196 251 S 4.8741 9.0166 119.8597 56.4267 67.1991 172.5051 252 L 4.7331 8.5459 122.2949 53.7050 44.9862 174.9198 253 H 4.9166 8.2554 122.1945 53.7742 33.0157 171.9252 254 T 5.0112 8.2304 118.2655 60.6100 71.4929 175.1815 *256 V 3.8008 8.4963 119.9082 62.7493 32.1118 175.4669 257 A 4.6482 9.2796 130.4399 53.6396 20.1075 176.4149 258 H 5.0260 7.8845 113.4516 55.1491 33.6195 172.2081 259 I 5.2904 7.9744 122.8816 59.5955 41.1823 173.9086 260 K 4.7105 8.8329 125.4329 56.0800 36.3197 174.2553 261 Q 4.2822 8.2604 120.7396 54.6469 29.9512 175.1189 262 V 4.0599 8.5686 125.1399 62.3206 33.6499 175.0274 263 I 3.6700 8.7755 122.6746 62.5293 36.3086 177.1003 *265 G 3.9673 8.9924 108.6807 45.1931 0.0000 174.1317 266 D 4.7163 8.0024 120.7422 54.0522 42.1856 176.0874 267 G 4.2721 8.5296 108.1895 45.6741 0.0000 173.0329 268 I 4.5957 8.2412 122.1000 60.3271 40.3516 176.9709 269 S 3.7722 8.8167 121.8801 56.9680 62.0908 168.3553 270 Y 4.4967 8.2010 117.7545 59.9283 37.7842 176.3057 271 N 4.1782 9.4214 119.1170 53.1570 36.7907 174.5032 272 V 3.3642 7.4895 115.6484 64.2424 30.1713 173.5290 273 T 4.3263 7.8003 106.9075 62.7946 70.0935 174.1599 274 Y 4.8594 7.7401 123.5793 56.0775 42.3981 173.7371 275 R 5.0457 7.7452 124.0745 54.4077 33.7799 176.7678 276 T 4.1645 7.8633 112.9720 61.7011 70.4553 172.2792 *278 T 4.0344 8.1086 110.7792 61.6391 69.8040 171.8742 279 E 4.1879 8.6253 122.5287 56.8964 30.0227 176.3482 280 E 4.8068 8.9310 126.7732 54.1107 33.4825 175.4277 281 W 4.8334 8.8069 123.3110 56.5971 30.6371 175.1332 282 I 5.0116 9.1483 126.4752 59.5716 39.3832 174.7959 283 A 5.0912 9.0131 129.4429 50.8753 21.5585 175.6667 284 T 5.0610 8.8995 116.5086 61.8159 72.3281 173.7754 285 V 4.4928 8.3718 117.5620 58.9269 35.5377 175.8275 286 A 4.6077 7.8989 126.9648 49.6861 17.4218 176.6885 287 I 4.7748 6.7360 120.2507 59.0093 42.2275 174.6082 288 G 4.2604 8.8967 113.3911 45.3156 0.0000 172.8828 289 Y 4.7188 8.5490 115.8052 59.2347 38.2094 177.9502 290 A 4.1222 7.7456 122.9792 54.6187 18.6081 177.7119 291 D 4.6139 8.3563 114.9454 54.7455 41.2275 178.0202 292 G 4.1924 8.6053 108.0503 45.9730 0.0000 174.0479 293 W 4.3683 7.9979 130.2672 55.8536 29.7757 175.3884 294 L 4.7323 7.4967 125.1274 53.4379 42.5071 178.4540 295 R 3.9757 8.5985 119.4362 59.5075 30.0310 179.1060 296 R 4.0696 7.8382 112.0955 57.8534 29.5319 176.8806 297 L 4.2934 7.8062 118.8539 54.6209 42.0841 176.2518 298 Q 4.0492 7.8876 121.9157 57.9130 29.1977 177.5417 299 G 4.1494 8.7915 113.3170 46.2905 0.0000 173.4294 300 F 3.5744 7.8522 122.4510 57.8537 40.7813 173.7173 301 E 4.7457 6.8301 123.1677 54.9229 30.8530 176.4128 302 V 4.1755 8.2575 118.7330 60.2334 34.8157 174.4377 303 L 4.9002 8.5401 121.1912 53.2965 43.7793 176.4751 304 V 4.4856 7.8718 122.6282 61.6904 34.4726 174.5029 305 N 4.0335 9.9033 125.2613 54.3320 36.6353 173.8744 306 G 3.5508 8.2901 102.5812 46.0740 0.0000 174.1076 *308 R 4.3029 7.5468 115.6209 56.3896 32.0125 176.8530 309 V 4.5731 8.6076 117.1163 58.7740 35.9755 173.3689 310 P 4.9489 0.0000 0.0000 62.2786 33.4050 175.3181 311 I 4.4662 8.6845 123.9381 61.5482 37.9465 175.3971 312 V 4.3163 8.4538 120.8669 60.2459 34.2483 176.7300 313 G 4.0732 8.8034 112.0808 44.4611 0.0000 173.4170 314 R 4.3614 7.6617 115.3419 55.4451 30.4541 177.5094 315 V 3.8711 8.5152 122.7805 63.2312 32.3303 175.7759 316 T 4.8120 8.6006 117.7315 60.1708 71.1370 175.0547 317 M 2.5500 8.4565 119.7110 57.8017 32.3057 176.5826 318 D 5.0384 7.8157 114.2791 53.7959 43.6993 175.3682 319 Q 5.3749 8.3418 116.7295 54.6843 33.9055 173.3899 320 F 5.3716 8.1498 115.0440 56.1181 42.0268 172.6608 321 M 5.3667 8.9612 117.6427 53.7526 35.6329 175.0313 322 I 5.0708 8.8857 121.2603 59.9349 41.8674 174.0082 323 H 5.2298 8.9086 126.2108 55.0766 30.3353 174.0923 324 L 4.8123 8.7121 126.6409 52.3919 43.0336 175.6368 325 P 4.4583 0.0000 0.0000 65.3630 31.7205 176.2957 326 C 4.6669 7.4521 113.7306 56.9845 32.1226 173.1778 327 E 2.7995 7.2038 122.1833 56.1783 29.4834 176.5773 328 V 4.4127 7.3758 116.6332 58.5151 35.9284 173.8014 329 P 4.3766 0.0000 0.0000 62.0335 31.8712 176.3074 330 L 4.0485 8.2503 121.0501 56.8670 41.8945 178.0729 331 G 4.0692 9.1470 111.3622 45.4343 0.0000 176.7496 332 T 4.1166 7.0072 114.7777 62.7202 67.8949 174.5190 *334 V 3.9740 8.2722 126.6814 64.2115 33.1067 174.6329 335 T 4.5910 8.6046 124.7635 62.2030 70.0736 174.9549 336 L 4.2595 8.5437 126.4551 55.8488 43.4705 177.2994 337 I 4.4340 7.8989 119.0413 59.2986 40.9222 175.4910 338 G 3.4731 7.4354 114.2983 44.1014 0.0000 171.5359 339 R 5.1841 8.4042 120.0692 54.6314 32.1281 176.3243 340 Q 4.4959 8.4906 123.0602 54.9635 32.8166 175.4080 341 G 3.7417 8.3510 112.8991 47.3622 0.0000 173.7655 342 D 4.7419 8.9305 124.0404 53.8857 41.1688 175.2456 343 E 4.8170 8.1253 120.1145 54.8897 32.0903 174.4463 344 Y 5.1781 8.4332 123.2611 56.0561 42.0977 174.1344 345 I 4.4764 8.2580 128.3220 59.4883 39.1222 175.7108 346 S 4.4059 8.3381 121.8307 57.0852 64.3969 175.0907 347 A 4.0023 8.5514 123.2751 55.7295 17.9688 180.3090 348 T 3.8151 7.8846 113.9018 66.6842 68.5543 176.2787 349 E 4.1691 8.3272 121.3498 59.2380 29.7612 178.8645 350 V 2.7990 7.7422 118.0662 65.7777 31.4198 177.7523 351 A 3.8759 8.1588 120.6132 55.2156 18.2586 179.4451 352 E 3.8802 8.5953 117.4012 59.8216 29.1522 178.9680 353 Y 3.9878 8.0145 119.4801 60.6069 38.6421 177.5646 354 S 4.3643 7.7954 113.2416 57.8074 63.4251 174.0588 355 G 3.8789 7.8980 109.6943 46.5610 0.0000 173.3258 356 T 4.3732 8.1023 115.8049 60.5535 69.8304 172.1779 357 I 4.7247 8.0351 111.6268 58.4468 40.8612 175.7432 358 N 4.2727 8.9455 119.6874 56.6929 36.6496 176.5287 359 Y 4.1028 8.3688 118.3320 61.1765 37.8221 178.4586 360 E 3.9900 8.3555 119.8550 58.9899 29.5016 178.7547 361 I 3.6865 7.6490 118.8957 64.3711 37.4453 177.9736 362 I 3.8595 7.7358 113.8505 64.4083 37.4064 178.1767 363 T 4.0979 7.8679 116.9709 64.9697 68.1808 175.9672 364 T 4.5580 7.3691 110.3689 61.1190 69.1528 174.1947 365 I 4.1384 7.6128 123.6989 61.3418 37.4459 175.8895 366 S 4.4657 8.8236 121.1008 58.4613 62.7233 175.2651 367 F 4.6002 9.1831 123.8344 60.0379 38.7959 176.5150 368 R 4.2864 8.3088 115.9389 56.7954 29.7369 176.3538 369 V 4.1112 7.6488 120.2325 60.7718 32.5286 173.7139 370 P 4.4452 0.0000 0.0000 62.9709 32.7378 175.0365 371 R 4.7177 8.5244 120.6190 54.4905 32.7818 174.8780 372 I 4.5600 8.4833 125.1319 59.6292 39.4854 174.4827 373 F 5.0508 9.1847 126.6495 55.9113 41.0987 174.8065 374 I 4.8239 8.6959 124.5410 59.4966 38.4863 174.7144 375 R 4.8006 8.0827 125.6164 55.1806 33.5486 174.5902 376 N 4.3167 10.2492 123.3874 53.2755 36.8506 174.0349 377 G 3.5708 7.2800 99.8760 46.5719 0.0000 174.7987 *379 V 4.0262 7.6456 117.5670 62.6165 32.3441 174.7294 380 V 4.4376 8.5360 119.6527 61.7257 33.9636 175.5189 381 E 4.8208 7.9146 119.1651 55.0714 33.2426 173.8855 382 V 4.9699 8.4454 124.5725 61.2157 35.0958 173.8313 383 I 4.6769 8.9580 128.8013 59.6719 39.8264 174.1350 384 N 4.9481 8.6227 126.5954 51.5961 39.9236 174.2799 385 Y 4.8540 8.3559 126.3169 60.3637 38.0605 178.2844 386 L 4.1760 8.0915 119.8189 57.8967 41.4562 179.1512 387 N 4.6187 8.3087 115.4899 55.8185 38.2970 176.4040 388 D 4.6854 8.3942 120.2053 55.4593 41.0292 176.5549 389 I 4.0691 7.3699 115.8921 60.9242 37.9082 175.4442 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 E 8.44 4.57 0.00 1.88 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 2.24 2.34 0.00 4 A 8.71 4.11 1.33 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 0.00 0.00 0.00 5 P 0.00 4.42 0.00 1.68 1.96 0.00 3.77 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 2.03 2.03 0.00 6 F 7.41 4.73 0.00 3.01 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 7 Y 8.55 4.81 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.12 4.71 0.00 1.82 1.88 0.00 3.44 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 9 D 8.58 5.01 0.00 2.85 2.82 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 10 T 7.68 5.19 4.30 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 1.13 0.00 0.00 11 W 8.70 5.08 0.00 2.97 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 12 V 8.53 4.35 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 0.76 0.00 0.00 0.79 0.00 0.00 13 E 8.95 5.06 0.00 1.96 1.87 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 2.46 2.62 0.00 14 V 8.38 4.58 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 1.19 0.00 0.00 0.74 0.00 0.00 15 D 9.28 4.98 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.09 4.21 0.00 1.92 1.79 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.34 4.37 0.00 3.03 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 18 A 8.08 4.30 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.72 3.83 2.03 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 1.50 1.44 0.80 0.00 0.00 20 Y 8.35 3.93 0.00 3.16 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 21 N 8.62 4.25 0.00 2.99 2.87 0.00 0.00 7.09 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 22 N 8.47 4.35 0.00 2.86 2.95 0.00 0.00 6.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.52 3.47 1.86 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 0.75 0.00 0.00 0.81 0.00 0.00 24 T 7.49 3.81 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 25 H 8.18 4.16 0.00 2.93 1.99 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.82 4.03 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.99 1.01 0.00 0.00 *28 E 8.19 4.29 0.00 2.12 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 2.18 2.42 0.00 29 F 7.93 4.36 0.00 3.12 3.36 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 30 I 7.54 4.24 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 1.19 0.00 0.00 31 P 0.00 4.40 0.00 2.32 2.01 0.00 3.62 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 2.04 0.00 32 S 8.61 4.22 0.00 3.98 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 33 D 8.04 4.81 0.00 2.84 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 34 V 7.50 4.64 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.06 0.00 0.00 35 E 9.14 4.58 0.00 2.11 1.86 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 2.32 2.40 0.00 36 I 8.06 4.96 1.88 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 1.41 1.08 0.94 0.00 0.00 37 F 9.65 4.95 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.18 4.50 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 39 V 8.63 4.46 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 1.01 0.00 0.00 1.03 0.00 0.00 40 V 8.61 4.63 2.30 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 1.01 0.00 0.00 1.10 0.00 0.00 *42 G 8.14 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.81 2.00 0.00 2.92 2.63 0.00 0.00 7.26 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.36 3.89 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.39 3.66 0.00 1.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.90 4.14 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 0.00 0.00 0.00 47 H 8.14 4.44 0.00 3.33 3.55 0.00 5.83 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 48 D 8.67 5.50 0.00 3.11 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 49 Y 8.07 4.33 0.00 3.06 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 50 V 8.02 3.62 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 0.78 0.00 0.00 1.01 0.00 0.00 51 P 0.00 4.21 0.00 1.49 1.36 0.00 3.81 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.55 0.00 52 V 7.82 3.70 2.30 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 1.04 0.00 0.00 1.15 0.00 0.00 53 A 8.01 4.19 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 *55 I 7.86 4.11 1.92 0.00 0.00 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 1.65 1.42 1.04 0.00 0.00 56 A 8.28 3.93 1.33 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 0.00 0.00 0.00 57 L 8.09 4.45 0.00 1.74 1.72 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.30 3.91 0.00 1.99 2.30 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 2.53 2.40 0.00 59 A 7.79 3.41 0.68 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 60 G 7.60 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.26 4.15 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 62 T 8.16 4.61 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 1.23 0.00 0.00 63 R 7.65 4.82 0.00 1.07 1.38 0.00 2.45 0.00 0.00 2.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 64 L 9.04 5.53 0.00 1.59 1.58 0.95 1.01 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 65 A 9.00 5.32 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 66 V 8.71 4.77 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 0.79 0.00 0.00 0.98 0.00 0.00 67 A 9.54 4.45 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.63 4.94 0.00 3.18 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 69 L 8.96 4.02 0.00 1.92 1.86 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.46 4.41 0.00 2.95 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 71 E 7.45 3.37 0.00 1.83 1.69 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 1.88 1.47 0.00 72 A 7.74 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 73 L 7.78 3.93 0.00 1.84 1.71 0.95 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 74 V 7.20 3.49 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 0.74 0.00 0.00 0.72 0.00 0.00 75 L 7.42 4.13 0.00 1.94 1.70 0.96 1.00 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 76 R 8.12 4.12 0.00 1.81 1.99 0.00 3.30 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 77 R 8.12 4.04 0.00 1.91 2.00 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 78 A 7.52 4.38 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 79 G 7.94 3.88 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 0.00 0.00 0.00 80 I 7.51 3.94 2.05 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 1.48 0.58 0.94 0.00 0.00 81 T 8.32 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.06 2.07 0.00 90 S 8.28 4.92 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.26 2.23 0.00 4.05 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.05 0.00 92 P 0.00 3.26 0.00 1.75 1.07 0.00 3.51 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.43 0.00 93 R 7.86 4.04 0.00 1.95 2.03 0.00 3.03 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 94 D 8.28 4.65 0.00 3.21 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 95 I 7.71 3.95 1.98 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 1.93 1.94 0.96 0.00 0.00 96 N 8.17 4.52 0.00 2.81 2.88 0.00 0.00 6.69 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 97 V 7.84 3.61 2.15 0.00 0.00 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 0.97 0.00 0.00 98 A 8.57 4.05 1.56 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 7.44 3.48 0.00 1.53 1.41 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 189 E 7.36 3.50 0.00 1.70 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 1.68 2.23 0.00 190 Q 6.99 2.00 0.00 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 191 L 6.95 3.58 0.00 1.31 1.40 0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.14 4.14 0.00 3.91 3.88 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 0.00 193 W 7.36 4.27 0.00 3.57 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 0.00 194 L 7.41 4.09 0.00 2.06 2.00 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *196 E 8.25 4.04 0.00 1.77 1.47 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 1.78 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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 0.00 0.00 0.36 0.00 0.00 207 A 8.08 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.62 5.66 0.00 3.19 3.21 0.00 0.00 6.73 7.64 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 0.00 209 S 8.78 4.11 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 A 8.05 3.87 1.33 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 0.00 0.00 0.00 211 A 8.49 3.98 1.61 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 0.00 212 T 7.94 4.02 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 1.38 0.00 0.00 213 L 7.59 4.12 0.00 1.36 1.26 0.59 0.03 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 0.00 214 R 7.11 4.16 0.00 0.67 0.66 0.00 2.91 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 H 7.88 5.03 0.00 3.20 3.11 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 I 7.97 5.29 1.88 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 1.71 1.35 1.00 0.00 0.00 260 K 8.83 4.71 0.00 1.79 1.79 0.00 1.36 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.41 7.81 261 Q 8.26 4.28 0.00 1.47 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 262 V 8.57 4.06 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 1.06 0.00 0.00 0.92 0.00 0.00 263 I 8.78 3.67 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.85 0.00 0.00 *265 G 8.99 3.97 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 0.00 0.00 0.00 266 D 8.00 4.72 0.00 2.84 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 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1.48 1.62 0.00 3.20 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 276 T 7.86 4.16 4.38 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 1.35 0.00 0.00 *278 T 8.11 4.03 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 0.00 279 E 8.63 4.19 0.00 1.91 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 1.99 2.28 0.00 280 E 8.93 4.81 0.00 1.88 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 2.20 2.34 0.00 281 W 8.81 4.83 0.00 3.60 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 I 9.15 5.01 1.91 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 1.37 1.64 1.00 0.00 0.00 283 A 9.01 5.09 1.24 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 0.00 0.00 284 T 8.90 5.06 4.25 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 1.21 0.00 0.00 285 V 8.37 4.49 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 0.65 0.00 0.00 -0.24 0.00 0.00 286 A 7.90 4.61 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 0.00 287 I 6.74 4.77 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.51 0.00 0.00 288 G 8.90 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 0.00 0.00 0.00 0.00 289 Y 8.55 4.72 0.00 3.24 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 A 7.75 4.12 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 0.00 291 D 8.36 4.61 0.00 3.02 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 0.00 292 G 8.61 4.19 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 0.00 293 W 8.00 4.37 0.00 3.56 3.32 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 0.00 294 L 7.50 4.73 0.00 1.59 1.49 0.85 0.99 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 0.00 295 R 8.60 3.98 0.00 1.80 2.00 0.00 2.55 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 296 R 7.84 4.07 0.00 1.83 1.98 0.00 3.08 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 297 L 7.81 4.29 0.00 1.30 1.28 -1.00 -0.03 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 0.00 298 Q 7.89 4.05 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.41 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 299 G 8.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 300 F 7.85 3.57 0.00 2.07 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 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2.08 2.13 0.00 3.88 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 2.07 2.01 0.00 311 I 8.68 4.47 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.92 0.80 0.00 0.00 312 V 8.45 4.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.59 0.00 0.00 313 G 8.80 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 0.00 0.00 0.00 314 R 7.66 4.36 0.00 1.98 2.11 0.00 3.39 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 315 V 8.52 3.87 2.29 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 1.22 0.00 0.00 0.98 0.00 0.00 316 T 8.60 4.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 317 M 8.46 2.55 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 318 D 7.82 5.04 0.00 2.56 2.58 0.00 0.00 0.00 0.00 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0.00 0.00 336 L 8.54 4.26 0.00 1.23 1.15 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 337 I 7.90 4.43 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.95 0.00 0.00 338 G 7.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 R 8.40 5.18 0.00 2.06 1.95 0.00 3.22 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 340 Q 8.49 4.50 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 341 G 8.35 3.74 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 0.00 0.00 0.00 342 D 8.93 4.74 0.00 2.68 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 0.00 343 E 8.13 4.82 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 344 Y 8.43 5.18 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 2.34 2.51 0.00 353 Y 8.01 3.99 0.00 3.17 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 0.00 354 S 7.80 4.36 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 355 G 7.90 3.88 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 0.00 0.00 0.00 356 T 8.10 4.37 4.18 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 1.16 0.00 0.00 357 I 8.04 4.72 2.04 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.93 0.00 0.00 358 N 8.95 4.27 0.00 2.99 3.21 0.00 0.00 5.98 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 0.00 359 Y 8.37 4.10 0.00 2.95 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 0.00 360 E 8.36 3.99 0.00 2.05 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 2.27 2.32 0.00 361 I 7.65 3.69 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.87 0.85 0.00 0.00 362 I 7.74 3.86 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.94 0.90 0.00 0.00 363 T 7.87 4.10 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 1.24 0.00 0.00 364 T 7.37 4.56 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 0.00 365 I 7.61 4.14 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.92 0.00 0.00 366 S 8.82 4.47 0.00 4.07 3.86 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 0.00 367 F 9.18 4.60 0.00 3.00 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 0.00 368 R 8.31 4.29 0.00 2.02 2.17 0.00 3.12 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 369 V 7.65 4.11 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 0.74 0.00 0.00 0.99 0.00 0.00 370 P 0.00 4.45 0.00 1.42 1.81 0.00 3.72 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 1.50 1.43 0.00 371 R 8.52 4.72 0.00 1.73 0.97 0.00 3.03 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 372 I 8.48 4.56 1.86 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.87 0.00 0.00 373 F 9.18 5.05 0.00 3.12 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 0.00 374 I 8.70 4.82 1.91 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 1.13 1.01 0.93 0.00 0.00 375 R 8.08 4.80 0.00 1.90 1.71 0.00 3.52 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 376 N 10.25 4.32 0.00 2.80 2.83 0.00 0.00 7.03 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 0.00 377 G 7.28 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 *379 V 7.65 4.03 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 0.86 0.00 0.00 0.92 0.00 0.00 380 V 8.54 4.44 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 0.72 0.00 0.00 1.06 0.00 0.00 381 E 7.91 4.82 0.00 2.03 1.86 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 2.34 2.30 0.00 382 V 8.45 4.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 383 I 8.96 4.68 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.65 0.00 0.00 384 N 8.62 4.95 0.00 2.76 2.74 0.00 0.00 7.17 7.56 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 0.00 385 Y 8.36 4.85 0.00 3.39 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 0.00 386 L 8.09 4.18 0.00 1.95 1.84 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 387 N 8.31 4.62 0.00 2.95 2.97 0.00 0.00 7.02 7.40 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 0.00 388 D 8.39 4.69 0.00 3.01 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 0.00 389 I 7.37 4.07 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.