NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2099 7.8827 121.4477 61.2047 38.2319 173.8884 17 V 3.9483 8.6553 127.0189 62.0487 32.6644 174.0982 18 G 3.9340 9.0158 115.7589 46.9254 0.0000 172.1075 19 G 4.3444 7.2074 111.8361 45.2082 0.0000 173.4669 20 Y 4.8505 8.3350 122.8867 56.0933 41.7748 173.3300 21 T 4.2321 8.4741 116.8953 63.5019 68.8302 176.2425 22 C 4.0454 8.3274 125.4038 59.0669 36.4202 175.8013 23 G 3.9378 7.9179 106.5648 45.2957 0.0000 172.5919 24 A 3.8376 8.4779 125.5311 53.9945 18.5486 176.8098 25 N 4.2587 8.8513 118.5372 54.6496 36.1391 175.5738 26 T 4.1328 7.5409 115.7312 65.0035 69.3769 175.4534 27 V 4.0242 7.0648 121.0580 60.1021 31.1542 173.8249 28 P 4.5521 0.0000 0.0000 63.7178 32.0796 178.0827 29 Y 5.0988 6.6980 115.9628 56.5529 38.9011 174.9025 30 Q 4.4870 7.3605 123.5717 56.3486 29.7661 175.4075 31 V 4.8022 9.0270 125.8794 61.2041 35.3193 173.7370 32 S 5.0198 9.0711 121.6792 56.6327 64.6611 172.5204 33 L 4.7833 8.6257 127.7969 53.3139 43.2076 174.8376 34 N 6.0138 9.3344 123.6245 50.2082 41.4612 175.2476 *37 S 4.2296 8.4076 121.6397 58.2600 64.1383 174.5980 38 G 3.9424 9.9537 109.5313 46.2819 0.0000 172.6135 39 Y 4.5205 6.5651 115.4510 56.2415 40.0983 172.6146 40 H 4.6651 8.9061 121.2215 55.9551 30.1215 174.3992 41 F 5.0577 8.1322 121.3317 57.4628 40.1921 174.2378 42 C 4.7859 6.8101 114.8367 55.9231 45.0765 173.2596 43 G 4.2213 8.6525 109.0743 45.6994 0.0000 172.1825 44 G 4.3298 8.1387 105.5409 46.5054 0.0000 172.5080 45 S 5.4245 8.7621 115.3543 56.4398 66.8644 173.7861 46 L 4.8344 9.1016 127.2601 54.8993 42.1853 177.0619 47 I 4.3577 8.5005 120.2518 61.2658 38.9329 174.5768 48 N 4.7778 7.9563 116.7439 52.7276 39.5749 175.0177 49 S 4.2020 8.6642 112.2779 60.8006 62.9937 175.5742 50 Q 4.5877 8.1998 117.3313 55.0797 30.5461 174.5638 51 W 5.4263 8.1142 118.1027 54.6960 33.3963 174.4588 52 V 5.1700 9.2385 123.2428 61.0779 34.4760 174.3677 53 V 4.9723 8.9141 126.7819 60.4502 34.0931 174.8790 54 S 4.8647 8.9689 117.4091 57.4350 66.3152 172.2027 55 A 4.6738 8.4717 120.7995 50.8453 20.1268 178.5741 56 A 3.8382 8.1645 123.6906 55.1603 18.4736 179.2300 57 H 4.5876 8.0602 109.3321 57.2880 28.6943 175.2204 58 C 4.8557 7.8219 117.4961 57.1280 40.2216 173.0579 59 Y 4.3106 7.8873 122.5535 57.7397 38.6792 175.3613 60 K 4.1007 7.4772 124.6110 54.8307 36.3891 175.3735 61 S 4.1871 7.9918 114.8610 58.1217 63.8037 173.5353 62 G 3.8298 8.2828 110.7924 46.6604 0.0000 174.0676 63 I 4.0962 7.1924 118.8608 60.8366 39.4358 176.3692 64 Q 4.8298 9.0633 127.8444 54.2670 31.5611 174.1491 65 V 4.5194 8.8881 127.2428 61.8112 33.3423 174.5643 66 R 5.2065 9.2231 127.8815 54.8131 32.0853 175.2432 67 L 4.7260 9.0591 124.9612 52.6493 44.6279 177.5736 *69 G 4.0254 8.3357 108.4429 45.4195 0.0000 173.0271 70 E 4.4335 8.2743 118.1957 55.6804 29.7844 174.4610 71 D 4.7336 8.0862 117.3955 55.3163 43.5451 174.5473 72 N 5.2034 9.1648 122.0627 52.5892 38.7989 176.0647 73 I 3.9861 8.3896 119.7898 62.2945 37.7408 176.2740 74 N 4.8331 8.8867 117.8661 53.1557 39.7296 175.0490 75 V 4.3580 7.4252 110.9686 59.1311 34.7658 175.7239 76 V 4.0388 8.4481 124.0492 62.8652 30.6007 175.2776 77 E 4.3829 9.1957 127.4509 55.5165 30.1992 176.9458 78 G 4.0427 8.1485 107.1001 45.8127 0.0000 174.5878 79 N 4.6843 7.9613 114.4312 53.1415 39.1627 174.9437 80 E 4.4806 7.6341 117.9619 56.3283 30.7491 176.2688 81 Q 4.2710 8.8869 120.6078 54.2512 32.5036 174.4002 82 F 5.5414 8.7641 123.4724 56.1206 40.5631 175.1064 83 I 4.6499 8.7504 125.2985 59.0582 40.5761 175.7499 84 S 4.6655 8.7137 122.6525 58.4894 63.9962 173.4491 85 A 4.5382 8.4797 126.5216 52.1058 18.3048 177.6073 86 S 4.4832 9.0305 116.4005 59.5686 64.8546 174.7043 87 K 4.5944 7.5757 120.3312 55.2592 35.4363 174.4724 88 S 5.3773 8.8762 122.5807 56.8536 66.2959 173.6651 89 I 4.5906 9.3551 124.4399 59.5044 39.8987 174.8354 90 V 4.2055 8.4507 127.5748 62.1526 32.6495 175.2199 91 H 3.4142 8.7715 127.4140 56.0021 29.9039 174.0816 92 P 4.2160 0.0000 0.0000 65.4483 31.3006 177.1232 93 S 4.6995 7.7805 111.1411 58.0881 63.1791 173.2018 94 Y 4.2993 7.9371 122.8758 57.7382 38.8264 174.9727 95 N 4.4416 8.4652 126.3996 51.4965 39.4219 174.8459 96 S 3.8754 7.7278 120.1379 59.5711 63.7430 175.3810 97 N 4.3463 8.0458 119.0011 56.1654 38.5374 176.1298 98 T 3.9479 8.0072 105.4148 60.9176 69.5687 174.9071 99 L 3.7373 7.7286 120.7208 55.4822 40.0599 173.7327 100 N 4.4802 7.7674 117.5711 54.5706 39.3521 174.7850 101 N 4.9402 8.8411 121.8114 54.4120 35.8611 175.5186 102 D 4.6729 8.0441 117.0643 53.6518 39.0105 174.4491 103 I 4.7996 7.1150 120.8335 59.2661 42.3964 173.0275 104 M 5.5468 9.1782 127.3523 54.1374 36.2064 173.2416 105 L 5.3315 9.3836 125.7142 53.1855 44.8021 175.4163 106 I 4.9296 9.2901 124.1891 59.4094 40.3317 174.4669 107 K 3.5621 8.7096 129.8941 55.0553 33.2909 175.8170 108 L 4.3424 8.2675 128.0188 54.1782 41.9053 177.2192 109 K 4.0847 8.8788 125.1490 58.8787 32.6519 177.2892 110 S 4.7040 7.7554 112.9424 55.9120 66.5928 173.3935 111 A 4.3911 8.3813 124.2478 51.9026 18.8132 177.4590 112 A 4.1261 9.0165 123.3694 52.1490 19.5016 177.8448 113 S 4.5608 9.0569 117.8920 56.9443 63.4922 174.3903 114 L 4.4197 8.4517 126.0385 54.4444 42.3561 176.5622 115 N 4.8846 8.9782 119.7760 51.9524 39.9089 174.5373 116 S 4.1153 8.8402 111.7076 61.6500 62.5200 175.4348 117 R 4.1886 7.9104 118.2728 56.3587 30.8332 175.5401 118 V 4.5378 7.6049 117.0658 60.8299 32.8992 173.6461 119 A 5.1386 8.8053 128.7182 50.0207 22.8686 175.1761 120 S 4.9134 8.6546 114.9346 58.3291 64.7136 172.9895 121 I 4.3818 8.2913 122.9466 59.2349 39.5616 175.6365 122 S 4.4166 8.3889 124.4204 58.2275 64.0788 173.9206 123 L 4.2919 8.3575 123.1686 53.5900 42.2622 175.4642 124 P 4.4328 0.0000 0.0000 63.1603 31.7081 176.3823 125 T 4.1080 8.2179 109.0894 62.6287 69.9334 174.4280 *127 S 4.2395 7.5648 114.6766 57.8817 63.2610 173.6015 128 C 4.3888 8.4050 121.0978 56.6161 40.6440 173.7218 129 A 4.2962 8.0884 125.9275 51.7086 19.3338 177.4439 130 S 4.3716 8.1411 114.8098 56.9011 65.0062 173.1292 *132 A 4.2789 8.1823 123.1460 53.4947 19.1586 177.4681 133 G 3.9606 9.3060 110.6384 45.2842 0.0000 173.9447 134 T 4.0564 7.5526 117.7112 63.4530 69.4220 173.9167 135 Q 4.4349 8.6827 126.1080 56.0573 29.5871 176.1255 136 C 5.2568 9.1996 120.4165 54.9983 44.8485 172.5869 137 L 5.0751 9.0093 123.0268 53.6414 43.9693 175.0351 138 I 5.0705 9.1128 128.3651 58.8201 39.2110 175.0773 139 S 5.0816 9.1247 121.1598 55.9961 66.4122 173.3628 140 G 3.8648 7.4148 107.5077 46.8515 0.0000 172.9431 141 W 4.7635 9.7430 118.8293 56.9172 30.2292 177.3557 142 G 4.2352 8.0400 106.0546 43.9063 0.0000 171.7733 143 N 3.4659 8.0356 116.4915 54.0135 38.6219 174.5442 144 T 4.5102 8.1326 114.6606 61.0155 69.7592 174.7138 145 K 4.6406 7.8410 122.2683 54.6349 34.3866 176.4786 146 S 4.3235 8.5885 116.8088 59.9572 63.7053 174.4211 147 S 4.3952 8.0356 116.1052 58.5119 65.2136 173.7991 148 G 3.8280 9.3389 112.4500 44.3566 0.0000 171.2728 149 T 4.5549 8.0206 114.3015 61.8474 71.6814 174.5266 150 S 4.3879 8.6511 122.1325 57.6362 65.1616 172.1766 151 Y 4.9256 8.7212 126.4328 55.6820 38.6273 174.3057 152 P 4.5605 0.0000 0.0000 62.8645 32.5558 176.0496 153 D 4.7799 8.7336 118.9535 55.4670 42.0576 176.3715 154 V 5.1363 7.6424 111.0043 58.3581 34.5840 175.4037 155 L 3.1677 8.3013 124.3216 54.9127 42.7694 176.0321 156 K 4.8344 8.7601 126.0125 55.2555 36.0523 174.4404 157 C 5.3044 8.4458 118.2393 55.1317 42.1917 172.9429 158 L 5.0303 8.5190 122.7644 53.5917 45.5726 174.6881 159 K 5.1895 8.9598 125.1793 54.9849 33.7041 175.7223 160 A 4.6472 8.8667 126.4344 49.4654 23.0299 173.8037 161 P 4.7837 0.0000 0.0000 62.6165 33.3560 175.4512 162 I 4.5395 8.5285 122.9608 61.3029 37.9907 176.0517 163 L 4.7435 8.8690 128.0681 53.7162 42.9909 177.1349 164 S 4.3961 8.4853 114.9252 58.0454 64.0715 175.0692 165 D 4.4639 8.7665 121.9098 57.6664 40.4835 179.4460 166 S 4.1022 8.0080 115.2051 61.8119 62.7751 176.5693 167 S 4.2248 7.5217 115.1792 60.5894 62.1733 175.2043 168 C 4.4545 8.1442 121.4720 59.6997 41.8196 175.7363 169 K 3.9428 8.6071 120.3966 58.9878 31.1291 179.5568 170 S 4.2392 8.2632 114.8920 61.2173 62.7449 176.3526 171 A 3.9610 7.5720 123.7149 53.5513 19.7056 177.2316 172 Y 4.8096 7.3948 113.9456 55.1103 38.4569 172.1808 173 P 4.5982 0.0000 0.0000 63.5492 31.9326 177.5809 174 G 3.9768 9.0535 110.6124 45.9999 0.0000 173.4662 175 Q 4.5108 8.2410 118.8618 55.9329 30.6074 176.0847 176 I 4.3521 7.8671 118.8184 60.3020 38.4154 175.1271 177 T 4.6784 8.1898 114.8136 59.2911 71.2703 175.0556 178 S 4.2258 8.6325 115.1894 60.9362 62.9992 174.6840 179 N 4.9532 8.2074 117.6557 53.1752 38.4692 173.8166 180 M 5.6326 7.9782 117.4408 53.6689 35.9051 174.6286 181 F 5.1572 8.9659 115.0884 55.7568 42.3123 172.4498 182 C 5.9258 9.2252 115.6099 54.7005 39.5078 172.9046 183 A 5.0613 8.9652 122.2301 51.2457 22.3795 174.1910 184A G 3.8718 7.9323 104.1520 44.5139 0.0000 173.0746 184 Y 4.8369 8.3855 118.6553 56.0233 40.9949 176.8051 185 L 4.2269 8.5566 123.1726 57.4045 42.1039 178.9470 186 E 3.9507 8.2191 115.2231 57.0556 30.1274 177.5674 187 G 3.7426 7.3578 106.4306 44.7051 0.0000 170.8948 188A G 4.1654 9.1499 105.9694 44.6193 0.0000 173.9149 188 K 4.8888 7.4107 117.9041 54.8754 34.5918 175.3089 189 D 4.7621 9.1062 123.7470 53.5397 45.3708 174.0421 190 S 5.2497 9.3251 116.6691 55.6474 65.9435 172.4670 191 C 5.6811 9.3506 124.5528 56.6060 37.2066 175.1232 192 Q 3.4936 8.3861 121.8972 56.6510 27.1641 174.6264 193 G 4.1484 8.0904 105.9911 45.6428 0.0000 174.4383 194 D 5.0398 8.3649 120.7490 54.2986 37.7274 174.0060 195 S 4.5323 8.4504 118.6868 60.2400 63.5278 176.0413 196 G 4.1610 9.0065 113.0670 46.3125 0.0000 173.7593 197 G 3.9799 7.8354 107.3822 45.2371 0.0000 171.7611 198 P 5.0103 0.0000 0.0000 62.6166 33.3132 175.6518 199 V 4.5997 8.7053 121.0239 61.4212 34.2315 173.9850 200 V 4.7482 8.8019 129.2497 61.2901 33.7238 173.7155 201 C 5.1140 8.9295 125.2606 55.6309 43.6867 174.7066 202 S 3.6121 9.7863 120.7528 59.7228 60.1003 173.2360 203 G 3.9270 8.3141 104.1432 45.5981 0.0000 173.5187 204 K 4.6875 7.5419 117.9212 53.1007 35.1727 175.5198 *209 L 4.1899 8.2183 122.5163 55.4464 41.8043 175.8167 210 Q 4.4247 8.4086 125.3372 56.5907 30.8006 175.6642 211 G 5.1146 8.6181 105.1445 45.5281 0.0000 171.7313 212 I 5.2651 8.2347 119.6485 58.9729 41.3496 174.5453 213 V 3.6264 9.2121 127.9932 64.2936 31.7281 175.0984 214 S 4.8505 8.6812 122.5451 58.9357 62.9589 175.4698 215 W 5.0539 8.2464 115.7771 56.3962 31.7657 171.7076 216 G 4.0043 8.8318 114.4720 45.0561 0.0000 172.2723 217 S 4.3170 8.4433 121.1801 58.1326 62.8593 172.2709 *219 G 4.2028 8.1173 118.7808 45.3380 0.0000 172.6474 220 C 4.5845 8.6788 122.0141 56.4339 43.6727 173.9195 221A A 3.6837 8.6436 130.3790 53.2599 16.6011 176.8547 221 Q 4.4724 7.2692 114.4347 56.2202 29.8150 175.9466 222 K 4.2766 8.4572 122.1274 57.6813 32.3894 176.2676 223 N 4.2772 9.4705 124.0825 54.3912 36.3744 175.1206 224 K 4.2425 7.8333 118.7644 53.5095 32.6520 174.3259 225 P 4.6039 0.0000 0.0000 61.9136 33.0336 176.2696 226 G 3.6195 8.4077 107.2505 45.7914 0.0000 172.8908 227 V 4.2256 7.6068 121.0485 60.6521 33.9955 173.9627 228 Y 5.0461 8.0816 125.4367 56.0515 41.5369 175.1985 229 T 4.4317 8.8213 120.6221 63.4902 69.8427 174.5953 230 K 4.6445 9.2975 129.0317 55.1982 30.5818 176.7882 231 V 3.9630 8.6998 124.8434 65.9223 31.4443 174.6210 232 C 4.6519 8.2179 112.0774 57.8424 41.6652 174.8572 233 N 4.1526 8.1529 118.2022 54.9621 38.4557 175.5776 234 Y 4.7520 8.1226 117.1654 57.6880 38.7460 177.5361 235 V 3.7076 7.8105 120.6873 66.1502 31.6671 177.8972 236 S 4.1235 8.0857 114.5713 61.1632 62.6560 176.2599 237 W 4.1816 8.2640 130.6349 60.4541 30.4822 177.9181 238 I 3.0529 8.1886 120.0251 64.2663 36.7117 178.6549 239 K 3.7590 8.0893 119.4274 59.2971 31.7277 179.3399 240 Q 3.8477 7.9440 119.8911 59.3575 28.7703 178.3561 241 T 3.5893 7.3273 115.8473 66.5124 68.5352 176.5203 242 I 2.4041 7.1826 121.6379 63.8277 36.7310 178.4222 243 A 3.9877 7.4634 119.9044 54.2598 18.2661 178.7742 244 S 4.5905 7.4649 110.9858 58.5801 63.4869 174.0846 245 N 4.7139 7.8535 125.0665 53.4334 39.1515 174.0577 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 16 I 7.88 4.21 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.85 0.00 0.00 17 V 8.66 3.95 2.18 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 1.14 0.00 0.00 0.98 0.00 0.00 18 G 9.02 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 0.00 0.00 0.00 19 G 7.21 4.34 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 0.00 20 Y 8.34 4.85 0.00 3.09 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 21 T 8.47 4.23 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 1.23 0.00 0.00 22 C 8.33 4.05 0.00 2.85 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 23 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.48 3.84 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 25 N 8.85 4.26 0.00 2.88 2.91 0.00 0.00 7.16 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 26 T 7.54 4.13 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 1.25 0.00 0.00 27 V 7.06 4.02 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 0.37 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.55 0.00 2.36 2.27 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 29 Y 6.70 5.10 0.00 3.23 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.36 4.49 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.65 0.00 0.00 0.00 0.00 0.00 1.84 2.41 0.00 31 V 9.03 4.80 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 0.93 0.00 0.00 1.02 0.00 0.00 32 S 9.07 5.02 0.00 3.06 3.44 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 33 L 8.63 4.78 0.00 0.68 1.01 0.78 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.33 6.01 0.00 2.47 2.54 0.00 0.00 6.77 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 *37 S 8.41 4.23 0.00 3.65 3.58 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 38 G 9.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.57 4.52 0.00 3.03 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 40 H 8.91 4.67 0.00 2.86 3.20 0.00 5.86 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 41 F 8.13 5.06 0.00 3.08 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 42 C 6.81 4.79 0.00 2.01 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 43 G 8.65 4.22 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 0.00 44 G 8.14 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.76 5.42 0.00 3.80 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 0.00 0.00 0.00 0.00 0.00 46 L 9.10 4.83 0.00 1.88 1.82 1.08 0.73 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 47 I 8.50 4.36 1.89 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 1.59 0.89 0.94 0.00 0.00 48 N 7.96 4.78 0.00 2.94 2.98 0.00 0.00 6.47 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 49 S 8.66 4.20 0.00 4.19 4.22 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 50 Q 8.20 4.59 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 51 W 8.11 5.43 0.00 3.15 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 52 V 9.24 5.17 2.14 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 0.90 0.00 0.00 0.99 0.00 0.00 53 V 8.91 4.97 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 0.86 0.00 0.00 1.05 0.00 0.00 54 S 8.97 4.86 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.47 4.67 1.10 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 0.00 0.00 56 A 8.16 3.84 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.06 4.59 0.00 3.40 3.61 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.82 4.86 0.00 3.27 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.89 4.31 0.00 2.99 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 60 K 7.48 4.10 0.00 1.31 1.22 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.96 0.84 7.81 61 S 7.99 4.19 0.00 3.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.28 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 63 I 7.19 4.10 1.86 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 1.35 0.74 0.95 0.00 0.00 64 Q 9.06 4.83 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 65 V 8.89 4.52 2.20 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 1.01 0.00 0.00 0.91 0.00 0.00 66 R 9.22 5.21 0.00 1.76 2.12 0.00 2.82 0.00 0.00 2.88 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 67 L 9.06 4.73 0.00 1.70 1.62 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.34 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.27 4.43 0.00 2.29 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 0.00 2.44 2.20 0.00 71 D 8.09 4.73 0.00 2.76 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 72 N 9.16 5.20 0.00 2.84 2.81 0.00 0.00 7.14 7.35 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 73 I 8.39 3.99 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 -0.21 0.00 0.00 74 N 8.89 4.83 0.00 2.81 2.88 0.00 0.00 6.71 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 75 V 7.43 4.36 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 0.73 0.00 0.00 0.96 0.00 0.00 76 V 8.45 4.04 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 0.79 0.00 0.00 1.06 0.00 0.00 77 E 9.20 4.38 0.00 2.00 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 2.30 2.49 0.00 78 G 8.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.96 4.68 0.00 2.71 2.84 0.00 0.00 6.96 7.66 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 80 E 7.63 4.48 0.00 1.25 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 2.62 2.58 0.00 81 Q 8.89 4.27 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 82 F 8.76 5.54 0.00 2.83 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 83 I 8.75 4.65 1.88 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 1.24 0.71 0.94 0.00 0.00 84 S 8.71 4.67 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.48 4.54 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 86 S 9.03 4.48 0.00 3.75 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 87 K 7.58 4.59 0.00 1.74 1.54 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.49 7.81 88 S 8.88 5.38 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.36 4.59 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 1.17 0.00 0.00 90 V 8.45 4.21 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 0.64 0.00 0.00 0.77 0.00 0.00 91 H 8.77 3.41 0.00 2.73 3.04 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.22 0.00 1.98 2.10 0.00 2.49 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.15 0.00 93 S 7.78 4.70 0.00 3.92 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 94 Y 7.94 4.30 0.00 2.96 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 N 8.47 4.44 0.00 2.58 2.48 0.00 0.00 6.56 7.15 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 96 S 7.73 3.88 0.00 3.97 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 97 N 8.05 4.35 0.00 2.82 2.79 0.00 0.00 6.93 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 98 T 8.01 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 99 L 7.73 3.74 0.00 1.47 1.86 0.68 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.77 4.48 0.00 2.78 2.66 0.00 0.00 7.26 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.84 4.94 0.00 2.94 2.62 0.00 0.00 7.23 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 0.00 102 D 8.04 4.67 0.00 3.10 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.11 4.80 1.49 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 1.42 1.22 0.10 0.00 0.00 104 M 9.18 5.55 0.00 2.23 1.81 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 105 L 9.38 5.33 0.00 1.75 1.87 1.01 -0.34 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 0.00 106 I 9.29 4.93 1.92 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 1.20 0.88 0.89 0.00 0.00 107 K 8.71 3.56 0.00 0.79 1.13 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.79 0.21 7.81 108 L 8.27 4.34 0.00 1.38 1.62 0.91 0.84 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 0.00 109 K 8.88 4.08 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 S 7.76 4.70 0.00 3.82 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 0.00 111 A 8.38 4.39 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 0.00 112 A 9.02 4.13 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 0.00 113 S 9.06 4.56 0.00 3.73 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 0.00 114 L 8.45 4.42 0.00 1.65 1.62 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.98 4.88 0.00 2.84 2.91 0.00 0.00 6.41 8.36 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 0.00 116 S 8.84 4.12 0.00 4.00 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 0.00 117 R 7.91 4.19 0.00 1.93 2.00 0.00 3.11 0.00 0.00 3.25 7.40 0.00 0.00 0.00 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1.19 0.00 0.00 *127 S 7.56 4.24 0.00 3.84 3.81 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 0.00 128 C 8.41 4.39 0.00 2.95 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 0.00 129 A 8.09 4.30 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 0.00 130 S 8.14 4.37 0.00 4.00 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 0.00 *132 A 8.18 4.28 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 G 9.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.55 4.06 4.22 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 1.16 0.00 0.00 135 Q 8.68 4.43 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 136 C 9.20 5.26 0.00 2.87 2.87 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 0.00 137 L 9.01 5.08 0.00 1.73 1.56 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.11 5.07 1.83 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 0.64 1.55 0.93 0.00 0.00 139 S 9.12 5.08 0.00 3.54 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 0.00 140 G 7.41 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 0.00 0.00 0.00 141 W 9.74 4.76 0.00 3.43 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 0.00 142 G 8.04 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 0.00 0.00 0.00 0.00 143 N 8.04 3.47 0.00 2.08 2.57 0.00 0.00 6.84 7.70 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 0.00 144 T 8.13 4.51 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 1.22 0.00 0.00 145 K 7.84 4.64 0.00 1.72 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.46 7.81 146 S 8.59 4.32 0.00 4.09 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 0.00 147 S 8.04 4.40 0.00 3.83 3.79 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 0.00 148 G 9.34 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 0.00 149 T 8.02 4.55 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 1.46 0.00 0.00 150 S 8.65 4.39 0.00 3.86 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.72 4.93 0.00 2.91 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 0.00 152 P 0.00 4.56 0.00 2.27 2.10 0.00 4.07 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.00 0.00 153 D 8.73 4.78 0.00 2.70 2.98 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 0.00 154 V 7.64 5.14 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 0.96 0.00 0.00 0.97 0.00 0.00 155 L 8.30 3.17 0.00 1.67 1.25 0.57 -0.82 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 0.00 156 K 8.76 4.83 0.00 1.61 1.79 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.32 7.81 157 C 8.45 5.30 0.00 1.72 2.42 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 0.00 158 L 8.52 5.03 0.00 1.69 1.54 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.96 5.19 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.61 7.81 160 A 8.87 4.65 1.06 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 0.00 0.00 161 P 0.00 4.78 0.00 2.07 2.15 0.00 3.25 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 162 I 8.53 4.54 1.96 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.93 0.00 0.00 163 L 8.87 4.74 0.00 1.55 1.62 0.93 0.78 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 0.00 164 S 8.49 4.40 0.00 4.02 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 0.00 165 D 8.77 4.46 0.00 2.77 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 0.00 166 S 8.01 4.10 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.52 4.22 0.00 3.87 4.06 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 0.00 168 C 8.14 4.45 0.00 3.25 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 0.00 169 K 8.61 3.94 0.00 1.84 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 170 S 8.26 4.24 0.00 4.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.57 3.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.39 4.81 0.00 3.16 3.18 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 0.00 173 P 0.00 4.60 0.00 2.19 2.12 0.00 3.25 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 174 G 9.05 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 0.00 0.00 0.00 175 Q 8.24 4.51 0.00 2.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 176 I 7.87 4.35 1.99 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 1.85 1.06 0.99 0.00 0.00 177 T 8.19 4.68 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 1.26 0.00 0.00 178 S 8.63 4.23 0.00 4.01 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 0.00 179 N 8.21 4.95 0.00 2.94 3.11 0.00 0.00 6.58 6.94 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 0.00 180 M 7.98 5.63 0.00 1.89 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 181 F 8.97 5.16 0.00 3.12 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 0.00 182 C 9.23 5.93 0.00 2.95 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 0.00 183 A 8.97 5.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 7.93 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 0.00 0.00 0.00 184 Y 8.39 4.84 0.00 3.10 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 0.00 185 L 8.56 4.23 0.00 1.75 1.73 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.22 3.95 0.00 2.08 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 0.00 2.31 2.30 0.00 187 G 7.36 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 188A G 9.15 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.41 4.89 0.00 1.98 1.91 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.57 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.43 1.32 7.81 189 D 9.11 4.76 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 9.33 5.25 0.00 3.94 3.85 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 0.00 191 C 9.35 5.68 0.00 3.20 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 8.39 3.49 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.04 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 193 G 8.09 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 0.00 194 D 8.36 5.04 0.00 2.93 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 0.00 195 S 8.45 4.53 0.00 4.04 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 0.00 196 G 9.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.84 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 0.00 0.00 0.00 198 P 0.00 5.01 0.00 2.30 2.31 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 199 V 8.71 4.60 2.18 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 0.90 0.00 0.00 0.55 0.00 0.00 200 V 8.80 4.75 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 0.76 0.00 0.00 0.66 0.00 0.00 201 C 8.93 5.11 0.00 2.78 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 0.00 202 S 9.79 3.61 0.00 3.92 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 0.00 203 G 8.31 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 0.00 0.00 0.00 204 K 7.54 4.69 0.00 1.79 1.64 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.28 7.81 *209 L 8.22 4.19 0.00 1.49 1.63 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.41 4.42 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.17 0.00 211 G 8.62 5.11 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 0.00 212 I 8.23 5.27 1.93 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 1.30 0.92 0.95 0.00 0.00 213 V 9.21 3.63 2.35 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 0.98 0.00 0.00 1.13 0.00 0.00 214 S 8.68 4.85 0.00 3.98 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 0.00 215 W 8.25 5.05 0.00 3.35 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 0.00 216 G 8.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.44 4.32 0.00 4.25 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 *219 G 8.12 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 0.00 220 C 8.68 4.58 0.00 2.94 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 221A A 8.64 3.68 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 7.27 4.47 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 222 K 8.46 4.28 0.00 1.72 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 223 N 9.47 4.28 0.00 2.83 2.82 0.00 0.00 6.86 8.27 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 0.00 224 K 7.83 4.24 0.00 1.81 1.79 0.00 1.58 0.00 0.00 1.27 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.48 7.81 225 P 0.00 4.60 0.00 2.09 2.09 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 226 G 8.41 3.62 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 0.00 0.00 0.00 227 V 7.61 4.23 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 0.38 0.00 0.00 -0.71 0.00 0.00 228 Y 8.08 5.05 0.00 1.43 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 0.00 229 T 8.82 4.43 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 1.16 0.00 0.00 230 K 9.30 4.64 0.00 2.17 1.92 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.52 7.81 231 V 8.70 3.96 2.41 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 1.10 0.00 0.00 1.09 0.00 0.00 232 C 8.22 4.65 0.00 3.15 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 0.00 233 N 8.15 4.15 0.00 2.32 2.41 0.00 0.00 6.83 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 0.00 234 Y 8.12 4.75 0.00 3.20 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 0.00 235 V 7.81 3.71 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 1.15 0.00 0.00 1.08 0.00 0.00 236 S 8.09 4.12 0.00 3.97 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 0.00 237 W 8.26 4.18 0.00 3.48 3.58 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 0.00 238 I 8.19 3.05 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 0.72 0.00 0.00 239 K 8.09 3.76 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.55 7.81 240 Q 7.94 3.85 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 241 T 7.33 3.59 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 0.81 0.00 0.00 242 I 7.18 2.40 1.35 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.42 0.00 0.00 243 A 7.46 3.99 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 0.00 244 S 7.46 4.59 0.00 3.77 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 0.00 245 N 7.85 4.71 0.00 2.98 2.98 0.00 0.00 6.77 7.46 0.00 0.00 0.00 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.