NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9553 8.2833 118.0786 53.5215 40.7266 173.4458 3 I 4.8424 8.2987 125.6327 57.6952 40.9892 172.2989 *5 L 4.5112 8.0833 123.8415 55.6689 43.6239 176.1106 6 T 4.7039 8.8763 117.2227 61.1462 71.3629 175.0023 7 G 4.1191 8.9153 109.4844 46.5497 0.0000 175.9996 8 A 4.1568 7.5125 122.7459 54.6305 18.4482 179.6131 9 T 4.3613 7.9490 103.6869 62.0545 69.5877 175.5309 10 G 3.8607 7.8815 110.5521 44.1966 0.0000 174.1878 11 H 4.1752 8.4708 116.3633 59.0161 28.6633 177.9008 12 L 4.1636 7.9124 121.5097 58.1231 41.9972 178.8916 13 G 3.7889 8.1920 105.2427 48.2062 0.0000 175.5875 14 T 4.3685 8.3419 118.0597 66.8233 68.4858 176.3926 15 H 4.1385 7.9284 116.7365 59.0875 28.7595 177.8784 16 I 3.7321 7.8562 121.3999 64.7078 36.9289 178.7482 17 T 3.4237 8.1745 116.7896 66.5866 68.1199 176.6291 18 N 4.2336 8.2850 118.5645 56.3796 38.4043 177.5851 19 Q 3.9066 8.2209 119.3215 58.6934 28.7402 178.5298 20 A 3.7382 7.7895 122.0703 54.9071 18.2016 179.8132 21 I 3.4080 7.4598 118.1630 64.3965 36.9444 178.5633 22 A 3.9310 7.8378 120.5556 54.6419 18.2255 178.4149 23 N 4.4820 7.8686 112.3910 52.4271 39.3456 174.7000 24 H 3.9863 7.6149 116.6001 56.7141 26.9197 175.5897 25 I 3.9151 7.6543 119.7584 60.9919 37.0023 176.3548 26 D 4.5801 8.5428 125.0555 54.3517 42.3647 175.1549 27 H 4.1001 8.4516 115.6203 56.7792 26.2827 173.8423 28 F 4.8419 7.6013 119.2621 57.6253 40.2972 174.2268 29 H 5.6407 8.9475 123.4333 53.9000 32.1540 173.2151 30 I 4.8331 9.0777 113.8199 59.1144 41.4464 174.5384 31 G 4.4611 9.1177 111.3126 44.8451 0.0000 172.2964 32 V 5.0044 8.7031 119.2342 59.1455 35.4519 177.5756 33 R 4.4789 8.5953 118.6795 57.8198 30.0046 176.1271 34 N 4.8202 7.7429 116.3888 50.7309 40.1371 174.9469 35 V 3.6992 8.2489 124.3471 65.5059 31.8505 177.5196 36 E 4.1952 8.1227 117.1709 57.8733 29.4187 177.1532 37 K 4.2959 7.8277 117.6813 55.8644 32.3877 176.3104 38 V 3.6069 7.3264 120.0305 61.0985 32.2152 174.2160 39 P 4.0347 0.0000 0.0000 62.5552 31.8868 177.1458 40 D 4.4162 8.5981 121.8378 57.5279 40.9879 178.5994 41 D 4.5376 7.9396 117.5904 56.6956 41.2167 177.4766 42 W 4.5117 8.2419 118.8770 58.5725 29.3941 176.5802 43 R 4.2222 7.6718 118.7004 57.6296 29.6239 177.2192 44 G 4.0414 9.1571 111.1723 45.3518 0.0000 173.6514 45 K 4.4668 8.0212 117.5492 56.8578 33.9833 176.7484 46 V 4.7788 7.3798 109.3139 59.7643 36.0069 174.9226 47 S 4.6609 8.7695 119.6523 57.6799 64.5255 173.2535 48 V 4.8738 8.4415 124.1062 61.3776 33.1073 174.9378 49 R 4.8318 8.9750 126.0828 54.3815 34.1609 174.2278 50 Q 4.9317 8.6778 123.2375 55.4946 30.5286 174.5683 51 L 4.7813 9.1598 126.9777 53.6212 46.6243 174.1596 52 D 4.7945 8.9689 124.1012 52.6108 43.1281 175.6505 53 Y 4.2919 9.0302 124.9436 61.0300 37.9756 177.6330 54 F 4.6365 8.4128 116.3305 56.9555 39.0247 175.1931 55 N 4.8077 8.0433 119.6266 51.5119 40.0066 173.5779 56 Q 4.0398 8.9514 127.2804 59.3082 29.1858 178.2324 57 E 4.0818 8.1435 116.4409 59.3357 29.9127 179.1175 58 S 4.3830 8.1971 110.9390 59.0105 61.5510 175.7009 *60 V 3.9664 7.9275 119.7208 62.5530 33.1298 177.2991 61 E 3.9976 8.4522 119.1098 59.5288 29.0487 179.3280 62 A 4.1465 7.8447 119.2650 54.8616 18.5132 178.9033 63 F 4.7341 7.7205 113.2926 57.3912 39.5605 176.4592 64 K 3.8638 7.3683 119.1083 57.9298 32.7546 176.5766 65 G 3.4786 8.5158 111.2490 45.9825 0.0000 172.4679 *67 D 4.7517 7.6241 119.3517 54.0718 44.5776 177.6274 68 T 4.9673 8.0654 114.5295 61.5970 72.6230 173.3110 69 V 4.2583 8.4470 126.4034 60.9111 34.1720 174.3052 70 V 4.5905 8.2415 127.8519 61.4180 33.3577 173.6998 71 F 5.1300 9.0562 131.8546 55.9592 41.1286 174.3054 72 I 4.4137 7.5064 126.9927 58.6260 38.3873 174.0721 73 P 4.4564 0.0000 0.0000 62.5450 31.8466 176.7005 74 S 4.5609 8.7386 115.9186 57.9373 64.5183 174.1034 75 I 4.4056 8.0287 111.6308 60.5890 37.5746 175.7365 76 I 3.8736 7.3317 122.5622 62.3209 37.3867 175.0138 77 H 4.9881 8.1774 118.2561 53.1389 31.8051 172.1251 78 P 4.6987 0.0000 0.0000 62.2512 33.7177 176.2344 79 S 4.1258 8.8745 112.7470 62.4803 62.3998 176.2764 80 F 4.0916 8.2385 121.4697 61.2762 39.1751 176.8074 81 K 4.0336 7.8263 117.1197 58.5887 32.0988 178.6282 82 R 4.4245 7.7954 118.3004 58.2019 30.2962 177.9307 83 I 3.6778 7.6845 120.1655 64.3106 37.0655 176.0030 84 P 4.2373 0.0000 0.0000 65.4335 31.0269 177.8982 85 E 3.5862 8.4872 118.8285 59.4707 29.5579 179.4750 86 V 3.4840 7.8176 118.3592 64.5342 31.5205 178.1117 87 E 3.9803 8.1080 118.8378 59.4439 29.3115 178.9054 88 N 4.3015 8.4964 116.9360 55.8565 38.5168 177.1127 89 L 3.8611 7.6182 121.8469 58.2615 42.1126 179.3310 90 V 3.5402 7.7237 117.9137 66.0445 31.4344 177.2582 91 Y 3.8838 8.1910 119.0830 60.7828 38.5852 178.0597 92 A 4.0474 8.5946 121.8422 54.9696 18.3242 179.4278 93 A 4.1174 8.4102 119.4840 55.2769 18.0834 180.1294 94 K 3.8432 8.0207 116.9617 59.5594 31.9571 179.3340 95 Q 3.7914 7.7086 118.8827 59.1117 28.9192 177.2896 96 S 4.5069 8.3070 110.6518 58.0343 63.1260 174.2996 97 G 3.7856 7.7334 108.0639 46.3760 0.0000 174.2127 98 V 3.6473 7.9777 119.9732 62.3786 31.8858 175.7256 99 A 4.4136 8.5358 128.5978 54.0930 19.6295 176.6320 100 H 5.0205 8.2973 114.3583 54.8899 34.0539 172.3677 101 I 4.8705 8.2484 124.9251 59.5452 40.6585 174.3580 102 I 4.6964 9.0381 128.3764 59.7594 39.0475 174.2612 103 F 4.8396 9.1464 130.8623 56.6659 41.2181 174.7880 104 I 4.4667 7.9701 128.2356 60.2648 36.9827 175.4151 105 G 4.5219 9.0352 115.2377 44.6475 0.0000 169.7609 106 Y 5.0243 6.7134 121.0147 56.1380 40.2325 175.8217 107 Y 3.9081 8.1320 122.1765 58.4303 38.8290 176.4117 108 A 3.9984 6.1802 126.1272 50.8870 17.0461 176.5667 109 D 5.0197 7.8718 116.0868 52.1889 41.2946 177.1807 110 Q 4.2622 7.8766 118.9648 56.0162 29.3497 176.8142 111 H 4.2662 8.8348 115.5253 58.0056 28.4375 175.8489 112 N 4.8573 7.5666 115.9023 52.1653 37.4771 173.3346 113 N 4.5857 7.9263 118.5343 52.8182 39.2689 173.3511 114 P 4.4767 0.0000 0.0000 63.9407 31.9358 176.4112 115 F 4.4872 8.6555 122.9425 58.9953 39.4807 175.7840 116 H 4.0643 8.4469 127.7261 55.8977 28.6432 176.7095 *118 S 5.0437 8.2394 115.6838 58.1183 65.0068 173.9220 119 P 4.3103 0.0000 0.0000 65.4456 30.9229 177.8036 120 Y 3.9974 8.0061 117.7519 60.9027 38.8557 178.1436 121 F 4.3832 8.3291 118.3259 60.3547 39.0742 177.8664 122 G 3.6265 8.6851 105.9496 47.8748 0.0000 175.1918 123 Y 3.8713 8.3416 122.1132 60.1639 38.8109 177.8295 124 A 3.6592 8.0449 122.0386 55.0934 18.4323 179.3609 125 S 3.5263 7.5624 111.2391 61.5954 62.2816 176.7121 126 R 3.7136 7.4270 120.1771 58.9795 29.7965 178.7741 127 L 3.6096 7.8165 120.5428 57.9668 41.7680 179.0263 128 L 3.5385 7.2666 117.9070 57.5772 40.8957 179.0574 129 S 4.2918 7.4459 113.2219 61.6003 62.1198 176.2632 130 T 4.0506 7.7902 111.3766 64.1218 68.6865 176.5472 131 S 4.1771 7.4891 116.9689 59.4008 63.0735 175.5236 132 G 3.9387 7.5681 109.4624 45.1253 0.0000 173.1555 133 I 4.2257 7.2369 120.5614 59.9999 38.4071 175.5121 134 D 4.7777 8.5281 124.5749 54.9798 42.1101 174.8793 135 Y 4.9870 8.1124 118.9263 56.1739 42.0078 173.4553 136 T 4.8705 9.0833 116.8567 62.0640 72.1279 172.4238 137 Y 4.7588 8.5383 127.6401 56.1998 40.6567 174.3931 138 V 4.7937 8.6676 128.4316 61.7427 33.6416 175.4452 139 R 5.0631 9.4677 128.3294 55.4727 32.8131 176.3822 *141 A 2.0000 8.7581 123.0392 51.9137 19.6705 178.4405 *143 Y 5.3997 7.9844 117.1025 57.0753 40.4100 174.1915 *145 D 5.0824 8.4887 117.7830 54.7938 42.5048 176.3049 146 P 4.4274 0.0000 0.0000 65.5710 31.1435 178.5206 147 L 4.3897 8.2165 117.5172 57.5227 41.2777 179.3896 148 K 3.9726 8.0266 117.9106 59.1944 32.2306 177.5157 149 P 4.4468 0.0000 0.0000 64.8401 31.6770 177.3477 150 Y 4.6305 7.8773 117.1888 59.4516 38.5698 176.8842 151 L 3.7887 7.5287 119.3940 57.5884 41.8405 177.0888 152 P 4.3073 0.0000 0.0000 65.8226 31.3249 177.8872 153 E 4.0855 7.9325 115.9349 58.9706 29.9410 179.0534 154 L 3.7253 7.0905 116.9605 55.1421 40.8241 177.7679 *156 N 4.4532 8.1585 114.6208 53.9950 40.2362 173.8586 *158 H 4.8284 7.8782 112.1594 54.9480 31.0190 172.5520 159 K 5.1689 7.7832 114.6381 55.1299 36.7299 175.3859 160 L 4.4833 9.0998 126.6818 53.6496 43.6225 176.6749 161 I 4.4662 8.1611 118.4401 60.4302 38.3122 174.6800 162 Y 3.8820 7.7251 119.3324 58.4020 38.2759 175.9563 163 P 4.5766 0.0000 0.0000 62.0618 30.1874 175.8629 164 A 4.9188 8.4205 119.7397 51.5761 20.8597 177.9882 165 G 3.8055 7.9270 106.4980 48.3092 0.0000 174.4477 166 D 4.9141 8.8070 124.0384 53.9888 40.7657 176.5715 167 G 3.9233 7.8867 107.0301 46.3096 0.0000 172.9987 168 R 5.1787 8.4207 119.4793 54.2705 32.4426 175.6516 169 I 4.5802 8.6380 124.3970 59.4074 40.0805 174.1860 170 N 5.1390 9.0032 126.5143 53.2551 39.6585 173.7751 171 Y 4.8597 9.0247 123.4577 56.5888 42.1866 174.3963 172 I 4.7145 7.9391 119.8655 60.1102 41.7101 174.1997 173 T 4.3479 8.2488 117.6878 61.0701 69.9174 175.8603 174 R 3.9276 8.7936 122.3063 59.2073 29.9034 178.8372 175 N 4.1977 7.9246 116.4740 57.0364 38.9332 176.5203 176 D 4.5583 8.3018 120.2008 57.2358 40.7660 178.8553 177 I 3.7403 7.8117 120.2803 64.3648 37.0668 178.2430 178 A 4.0383 8.4317 122.0130 55.3126 18.1988 179.8892 179 R 4.3117 7.7502 118.0625 58.8228 30.1276 179.5809 180 G 3.5646 8.3457 105.6275 47.7207 0.0000 175.9950 181 V 3.6055 8.0405 120.8915 65.7701 31.4811 178.1826 182 I 3.7070 8.1674 119.7195 64.3604 36.7132 178.2375 183 A 3.9547 7.8634 120.5268 55.1108 18.3718 179.5575 184 I 3.9474 7.6220 119.5779 64.0683 37.0111 178.5375 185 I 4.0268 7.8244 119.4558 64.7338 37.1231 178.5414 186 K 4.4541 8.3309 117.5515 57.4643 32.4156 176.5154 187 N 4.7016 7.9633 117.3846 50.3065 39.6404 172.6264 188 P 2.0000 0.0000 0.0000 64.1369 31.2299 178.3204 189 D 4.3965 7.8875 118.4254 56.3992 40.7185 177.0459 190 T 4.4570 8.0371 109.0096 61.9066 69.5955 175.1564 191 W 4.3979 7.7087 122.3641 58.0730 29.4993 176.5406 192 G 4.1702 9.4121 109.2910 45.2851 0.0000 172.8963 193 K 4.4537 7.6450 119.9977 54.2414 35.9913 174.1305 194 R 4.9344 7.9893 123.1202 54.9566 31.3532 174.7689 195 Y 5.1632 9.1719 123.4197 56.0955 42.3281 174.2836 196 L 5.0459 9.3572 123.4939 53.5407 44.6625 176.0348 197 L 4.6816 9.2259 128.2740 53.6158 41.8191 176.1009 198 S 4.3063 8.5618 118.2411 57.7223 65.5929 173.0058 199 G 3.4718 9.2394 106.7283 46.1880 0.0000 173.3990 200 Y 4.7004 6.3735 115.2092 55.8182 43.3993 175.2532 201 S 5.0988 8.4342 118.8766 57.5796 64.6017 173.2424 202 Y 5.2833 8.7749 121.6868 55.6123 42.1874 173.3175 203 D 5.2966 9.1746 127.3047 52.6103 38.5223 177.9446 *205 K 4.1832 9.0604 118.4064 56.3329 33.8098 176.7894 206 E 3.9926 9.4753 119.3429 59.0607 29.2268 178.9758 207 L 3.6287 7.8910 120.2841 58.0853 42.0748 178.9355 208 A 3.9344 7.9164 119.9023 55.1074 18.3728 179.2802 209 A 3.9040 7.9345 119.1787 55.1967 18.4240 179.9556 210 I 3.6651 7.8721 118.4903 64.6618 37.1443 178.7456 211 L 3.9742 7.9491 119.7504 57.6474 41.3590 179.8762 212 S 4.5680 8.5134 116.9884 61.1998 62.6770 176.6355 213 E 4.2626 7.9989 118.2536 58.8797 29.3838 178.5717 214 A 4.1083 7.6624 121.5366 54.9954 18.7216 179.1257 215 S 4.2045 8.2521 111.1094 59.2251 62.6244 175.3701 216 G 3.9830 8.8487 109.3156 45.0397 0.0000 172.9413 217 T 4.6620 7.1549 108.9427 59.0994 71.2059 173.4079 218 E 4.3226 8.6269 121.5565 56.3466 30.1767 176.2126 219 I 4.5930 8.4103 124.1033 59.6132 40.2762 174.9252 220 K 4.6112 8.7721 126.8943 54.6609 35.0438 175.7875 221 Y 4.9287 8.5935 124.3575 57.5321 38.7622 174.7701 222 E 4.5063 8.6435 127.3465 52.9068 29.8848 173.0593 223 P 4.3284 0.0000 0.0000 63.0289 32.2040 177.3444 224 V 4.3417 8.1060 117.0702 59.6598 33.7201 175.8803 225 S 4.4206 8.4715 115.9538 58.1163 63.7939 175.3940 226 L 4.1666 8.5023 121.0723 57.9071 41.2930 179.7355 227 E 4.0199 8.1567 118.1876 59.7459 29.3355 179.2810 228 T 3.9108 7.7383 114.4768 66.5319 68.5969 176.1456 229 F 4.4033 8.2800 121.1277 61.4431 39.7959 176.6839 230 A 4.3838 8.2695 120.3107 55.0915 17.8891 179.8028 231 E 4.3166 7.8906 113.7912 57.1195 29.3872 177.1994 *233 Y 4.6071 7.6411 114.3865 57.9616 39.4406 176.0645 234 D 4.8164 7.9631 121.4235 52.2144 39.6602 173.6277 235 E 4.4833 8.0327 120.3491 53.9652 32.3443 173.0070 236 P 4.5740 0.0000 0.0000 61.6395 32.4747 175.4560 237 K 4.2819 8.4432 117.8192 58.4339 31.8962 176.6434 238 G 4.2186 9.4507 111.9259 45.9028 0.0000 175.4999 239 F 4.2555 8.6047 121.5133 60.8663 39.2253 177.2041 240 G 4.0329 8.8395 106.3073 47.3890 0.0000 175.4089 241 A 4.1321 7.9911 123.3357 54.1739 18.1950 179.3867 242 L 3.5346 7.1732 117.9900 58.0959 42.2491 178.6117 243 L 3.9914 7.7121 119.3163 58.0103 42.2532 178.3944 244 A 4.5055 8.3417 121.1084 54.9781 18.4786 180.9326 245 S 4.5165 8.2568 113.7702 58.6925 63.0683 175.9762 *247 Y 4.4006 7.9700 121.5625 59.2981 39.9278 177.2408 248 H 4.2719 8.4965 119.2209 59.1454 29.9672 177.1493 249 A 4.0184 8.1878 122.8671 54.9628 18.1281 179.8824 250 G 3.4534 7.8253 103.7392 47.7474 0.0000 175.6953 251 A 4.8057 7.7787 123.4961 54.1398 18.4387 178.9130 252 R 4.2903 7.3859 114.4515 55.7670 30.3588 177.2959 253 G 3.8521 7.7762 106.8270 46.1626 0.0000 174.7018 254 L 4.1337 7.5981 117.7096 55.1948 41.9799 177.4106 255 L 3.8058 7.4474 117.9641 54.2962 42.5185 175.9706 256 D 4.6657 7.5195 120.6332 52.5604 39.5328 174.3758 257 Q 4.6882 7.7902 118.9271 53.7229 31.6793 175.2239 258 E 4.7376 8.3784 120.5749 55.0163 33.6081 174.3347 259 S 4.5659 8.3669 113.8027 56.9354 65.8147 174.3049 260 N 4.8619 8.5535 119.0516 53.2891 38.4377 176.7089 261 D 4.4659 8.0874 123.6476 57.4579 40.9282 178.4806 262 F 4.0144 8.2180 120.4595 61.2900 39.4881 176.9165 263 K 4.2750 8.0587 119.9821 59.2037 31.8414 178.6118 264 Q 4.0128 8.0687 117.3414 58.3971 28.6398 178.2329 265 L 4.0881 7.8319 119.6092 57.1285 42.1134 178.8635 266 V 3.8151 7.6448 109.1240 60.0003 32.4947 175.4834 267 N 4.1945 7.9429 115.2706 53.3999 36.4777 172.6602 268 D 4.5848 7.2743 114.3671 53.6733 44.5592 173.2112 269 Q 4.7060 8.4609 120.9722 53.7693 29.9910 174.5388 270 P 4.2384 0.0000 0.0000 62.2831 31.8513 175.7780 271 Q 4.2256 9.4962 122.2265 56.0037 29.7347 176.1763 272 T 4.0289 8.3126 115.6338 61.0721 71.0691 175.4195 273 L 4.0586 8.5958 123.4908 58.3632 42.0614 179.0797 274 Q 3.9369 8.0254 117.5616 59.1984 28.4715 178.9187 275 S 4.0956 7.8963 112.5098 61.2538 62.5978 175.5256 276 F 4.6581 8.3576 124.7564 60.9724 38.9463 177.1849 277 L 3.7808 8.0779 117.5812 57.3474 41.5199 178.5542 278 Q 4.0849 7.7728 117.4963 56.9898 29.0601 176.6597 279 E 4.0417 7.3005 119.9953 58.9029 30.0139 176.5627 280 N 4.9875 7.1893 112.8632 50.7828 42.7465 174.1704 281 I 3.6832 8.3107 115.3866 60.8411 37.9052 175.9739 282 L 3.9481 8.3201 125.3738 54.4409 42.0487 176.3935 283 E 4.0523 8.5615 123.9796 56.0468 29.6690 175.8177 284 H 4.5239 8.5820 126.4674 55.6192 30.8418 175.2942 285 H 4.2822 8.1515 118.6981 56.9803 28.8584 174.5277 286 H 5.0546 7.3468 116.9738 54.1915 31.5713 173.0352 287 H 4.5619 8.4878 117.7005 55.6712 30.1090 175.6747 288 H 4.9491 8.1638 117.4920 54.8792 29.0413 173.4884 289 H 4.4808 7.9945 119.4809 56.0990 28.6690 176.0537 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.96 0.00 2.71 2.74 0.00 0.00 6.88 6.61 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 3 I 8.30 4.84 1.71 0.00 0.00 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 1.17 1.92 0.70 0.00 0.00 *5 L 8.08 4.51 0.00 1.65 1.52 1.02 0.85 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 6 T 8.88 4.70 4.62 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 1.54 0.00 0.00 7 G 8.92 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 0.00 0.00 0.00 0.00 8 A 7.51 4.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.95 4.36 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 1.29 0.00 0.00 10 G 7.88 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 11 H 8.47 4.18 0.00 3.09 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.91 4.16 0.00 1.76 1.71 0.98 1.11 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 13 G 8.19 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 0.00 0.00 0.00 14 T 8.34 4.37 4.46 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 0.00 0.00 0.00 1.37 0.00 0.00 15 H 7.93 4.14 0.00 3.46 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.86 3.73 2.05 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 1.57 0.81 1.00 0.00 0.00 17 T 8.17 3.42 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 -0.47 0.00 0.00 18 N 8.28 4.23 0.00 2.76 2.90 0.00 0.00 7.09 8.74 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 19 Q 8.22 3.91 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 20 A 7.79 3.74 0.44 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 0.00 0.00 21 I 7.46 3.41 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 0.83 0.00 0.00 22 A 7.84 3.93 1.26 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 23 N 7.87 4.48 0.00 2.66 2.79 0.00 0.00 7.12 7.78 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 24 H 7.61 3.99 0.00 3.27 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.65 3.92 1.73 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 1.18 0.49 1.10 0.00 0.00 26 D 8.54 4.58 0.00 2.68 2.33 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 27 H 8.45 4.10 0.00 3.49 3.62 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.60 4.84 0.00 3.27 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 29 H 8.95 5.64 0.00 2.92 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 9.08 4.83 2.00 0.00 0.00 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 1.46 0.86 1.01 0.00 0.00 31 G 9.12 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.70 5.00 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 0.82 0.00 0.00 1.07 0.00 0.00 33 R 8.60 4.48 0.00 1.88 1.97 0.00 2.46 0.00 0.00 3.80 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 34 N 7.74 4.82 0.00 2.77 2.74 0.00 0.00 6.77 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 35 V 8.25 3.70 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 1.03 0.00 0.00 1.02 0.00 0.00 36 E 8.12 4.20 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 37 K 7.83 4.30 0.00 1.85 1.73 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.33 7.81 38 V 7.33 3.61 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 0.88 0.00 0.00 1.04 0.00 0.00 39 P 0.00 4.03 0.00 0.85 1.44 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.44 0.00 40 D 8.60 4.42 0.00 2.67 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 41 D 7.94 4.54 0.00 2.77 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 42 W 8.24 4.51 0.00 3.58 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.67 4.22 0.00 1.96 1.93 0.00 3.40 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 44 G 9.16 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 45 K 8.02 4.47 0.00 1.89 1.79 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 46 V 7.38 4.78 2.21 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 0.61 0.00 0.00 1.02 0.00 0.00 47 S 8.77 4.66 0.00 3.70 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 48 V 8.44 4.87 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 0.89 0.00 0.00 1.07 0.00 0.00 49 R 8.98 4.83 0.00 1.84 1.82 0.00 3.24 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 50 Q 8.68 4.93 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 51 L 9.16 4.78 0.00 1.78 1.50 0.95 1.29 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 52 D 8.97 4.79 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 9.03 4.29 0.00 2.57 2.40 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 54 F 8.41 4.64 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 55 N 8.04 4.81 0.00 2.83 2.83 0.00 0.00 6.96 6.48 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 56 Q 8.95 4.04 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.88 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 57 E 8.14 4.08 0.00 2.14 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 2.37 2.24 0.00 58 S 8.20 4.38 0.00 3.96 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 0.00 *60 V 7.93 3.97 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 0.99 0.00 0.00 1.17 0.00 0.00 61 E 8.45 4.00 0.00 2.16 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 2.57 2.49 0.00 62 A 7.84 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.72 4.73 0.00 2.94 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 64 K 7.37 3.86 0.00 1.89 1.80 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.66 7.81 65 G 8.52 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 0.00 0.00 0.00 *67 D 7.62 4.75 0.00 2.84 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 68 T 8.07 4.97 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 0.79 0.00 0.00 69 V 8.45 4.26 1.73 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 0.79 0.00 0.00 -0.06 0.00 0.00 70 V 8.24 4.59 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 0.98 0.00 0.00 0.85 0.00 0.00 71 F 9.06 5.13 0.00 3.13 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 72 I 7.51 4.41 1.87 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 1.29 0.68 0.89 0.00 0.00 73 P 0.00 4.46 0.00 2.29 2.42 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.10 0.00 74 S 8.74 4.56 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.03 4.41 1.93 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 1.42 0.58 0.99 0.00 0.00 76 I 7.33 3.87 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 1.52 0.90 0.80 0.00 0.00 77 H 8.18 4.99 0.00 3.24 3.25 0.00 5.52 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 78 P 0.00 4.70 0.00 2.27 2.30 0.00 3.71 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 2.14 2.01 0.00 79 S 8.87 4.13 0.00 3.93 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 80 F 8.24 4.09 0.00 2.95 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 81 K 7.83 4.03 0.00 1.84 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.52 7.81 82 R 7.80 4.42 0.00 1.89 1.61 0.00 2.21 0.00 0.00 2.61 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.73 0.00 83 I 7.68 3.68 1.53 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 1.59 0.58 0.35 0.00 0.00 84 P 0.00 4.24 0.00 2.44 2.18 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 85 E 8.49 3.59 0.00 2.13 2.19 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 2.69 2.27 0.00 86 V 7.82 3.48 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 0.99 0.00 0.00 0.75 0.00 0.00 87 E 8.11 3.98 0.00 2.16 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 2.47 2.36 0.00 88 N 8.50 4.30 0.00 2.72 2.73 0.00 0.00 6.68 6.35 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 89 L 7.62 3.86 0.00 1.07 1.53 0.95 0.16 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 90 V 7.72 3.54 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 0.88 0.00 0.00 0.86 0.00 0.00 91 Y 8.19 3.88 0.00 3.11 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 92 A 8.59 4.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.41 4.12 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 94 K 8.02 3.84 0.00 1.79 1.73 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.54 7.81 95 Q 7.71 3.79 0.00 1.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 96 S 8.31 4.51 0.00 4.15 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 97 G 7.73 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 0.00 0.00 0.00 98 V 7.98 3.65 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 0.60 0.00 0.00 0.72 0.00 0.00 99 A 8.54 4.41 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 0.00 100 H 8.30 5.02 0.00 3.28 2.87 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.25 4.87 1.87 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 1.12 0.60 0.98 0.00 0.00 102 I 9.04 4.70 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.46 0.89 0.00 0.00 103 F 9.15 4.84 0.00 3.21 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 0.00 104 I 7.97 4.47 1.76 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 1.22 0.94 0.93 0.00 0.00 105 G 9.04 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 0.00 106 Y 6.71 5.02 0.00 2.49 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.13 3.91 0.00 2.88 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 0.00 108 A 6.18 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.87 5.02 0.00 2.95 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 0.00 110 Q 7.88 4.26 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 111 H 8.83 4.27 0.00 3.27 3.45 0.00 5.48 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.57 4.86 0.00 2.76 2.76 0.00 0.00 5.96 8.04 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 0.00 113 N 7.93 4.59 0.00 2.87 2.82 0.00 0.00 7.07 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0.00 1.99 1.95 0.00 3.43 0.00 0.00 3.43 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 *141 A 8.76 2.00 0.77 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 0.00 0.00 *143 Y 7.98 5.40 0.00 3.06 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 *145 D 8.49 5.08 0.00 2.78 2.84 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 0.00 146 P 0.00 4.43 0.00 2.33 2.23 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 147 L 8.22 4.39 0.00 1.86 1.85 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.03 3.97 0.00 1.92 1.86 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 149 P 0.00 4.45 0.00 2.11 2.17 0.00 3.94 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 2.08 2.18 0.00 150 Y 7.88 4.63 0.00 3.19 3.19 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 1.58 0.73 1.12 0.00 0.00 186 K 8.33 4.45 0.00 1.73 1.88 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.60 7.81 187 N 7.96 4.70 0.00 2.67 2.63 0.00 0.00 6.76 8.99 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 0.00 188 P 0.00 2.00 0.00 1.42 0.89 0.00 3.49 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 189 D 7.89 4.40 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 T 8.04 4.46 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 1.26 0.00 0.00 191 W 7.71 4.40 0.00 3.41 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 0.00 192 G 9.41 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 0.00 193 K 7.65 4.45 0.00 1.74 1.07 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.05 0.96 7.81 194 R 7.99 4.93 0.00 1.77 1.70 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 195 Y 9.17 5.16 0.00 2.96 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 0.00 196 L 9.36 5.05 0.00 1.62 1.57 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 197 L 9.23 4.68 0.00 1.49 1.65 0.97 0.91 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 0.00 198 S 8.56 4.31 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 G 9.24 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 0.00 200 Y 6.37 4.70 0.00 2.47 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 0.00 0.00 0.00 0.00 201 S 8.43 5.10 0.00 3.68 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 0.00 202 Y 8.77 5.28 0.00 3.00 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 0.00 203 D 9.17 5.30 0.00 2.89 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 0.00 0.00 0.00 *205 K 9.06 4.18 0.00 1.86 2.02 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.56 7.81 206 E 9.48 3.99 0.00 2.24 2.01 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 2.37 2.51 0.00 207 L 7.89 3.63 0.00 1.88 1.62 1.10 0.83 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 0.00 208 A 7.92 3.93 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 0.00 209 A 7.93 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 I 7.87 3.67 1.79 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 1.60 0.46 0.73 0.00 0.00 211 L 7.95 3.97 0.00 1.75 1.65 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 212 S 8.51 4.57 0.00 4.00 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 0.00 213 E 8.00 4.26 0.00 2.11 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 2.62 2.34 0.00 214 A 7.66 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 S 8.25 4.20 0.00 3.81 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 0.00 216 G 8.85 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 0.00 217 T 7.15 4.66 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 1.25 0.00 0.00 218 E 8.63 4.32 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 2.36 2.30 0.00 219 I 8.41 4.59 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.88 0.00 0.00 220 K 8.77 4.61 0.00 1.73 1.73 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 221 Y 8.59 4.93 0.00 2.87 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 0.00 222 E 8.64 4.51 0.00 1.79 1.74 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 2.16 2.18 0.00 223 P 0.00 4.33 0.00 1.98 1.96 0.00 3.14 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 1.70 1.43 0.00 224 V 8.11 4.34 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 0.75 0.00 0.00 1.23 0.00 0.00 225 S 8.47 4.42 0.00 4.22 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 0.00 226 L 8.50 4.17 0.00 1.75 1.82 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 227 E 8.16 4.02 0.00 2.10 2.19 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 2.43 2.50 0.00 228 T 7.74 3.91 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 229 F 8.28 4.40 0.00 3.25 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 0.00 230 A 8.27 4.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 E 7.89 4.32 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 *233 Y 7.64 4.61 0.00 2.79 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 0.00 234 D 7.96 4.82 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 E 8.03 4.48 0.00 1.97 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 0.00 2.20 2.30 0.00 236 P 0.00 4.57 0.00 2.30 2.19 0.00 3.39 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 237 K 8.44 4.28 0.00 1.81 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.48 7.81 238 G 9.45 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 0.00 239 F 8.60 4.26 0.00 3.16 3.22 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 0.00 240 G 8.84 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 0.00 241 A 7.99 4.13 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 0.00 242 L 7.17 3.53 0.00 1.58 1.67 0.91 0.88 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 0.00 243 L 7.71 3.99 0.00 1.16 1.86 0.96 0.95 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 0.00 244 A 8.34 4.51 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 S 8.26 4.52 0.00 4.39 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 *247 Y 7.97 4.40 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 H 8.50 4.27 0.00 3.38 3.55 0.00 5.78 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 0.00 249 A 8.19 4.02 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 0.00 250 G 7.83 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 A 7.78 4.81 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 0.00 252 R 7.39 4.29 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 253 G 7.78 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 0.00 0.00 0.00 254 L 7.60 4.13 0.00 1.63 1.52 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 255 L 7.45 3.81 0.00 1.45 1.29 0.58 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 256 D 7.52 4.67 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 Q 7.79 4.69 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 258 E 8.38 4.74 0.00 1.86 1.73 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 2.12 2.22 0.00 259 S 8.37 4.57 0.00 3.82 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 0.00 260 N 8.55 4.86 0.00 2.79 2.82 0.00 0.00 6.80 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 0.00 261 D 8.09 4.47 0.00 3.04 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 0.00 262 F 8.22 4.01 0.00 3.08 3.02 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 0.00 263 K 8.06 4.28 0.00 1.91 1.94 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.37 7.81 264 Q 8.07 4.01 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 265 L 7.83 4.09 0.00 1.42 1.51 0.45 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 266 V 7.64 3.82 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 0.13 0.00 0.00 -0.14 0.00 0.00 267 N 7.94 4.19 0.00 2.78 2.83 0.00 0.00 6.67 7.63 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 0.00 268 D 7.27 4.58 0.00 2.70 2.46 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 0.00 0.00 0.00 0.00 269 Q 8.46 4.71 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 270 P 0.00 4.24 0.00 1.77 1.09 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 271 Q 9.50 4.23 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 272 T 8.31 4.03 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 0.69 0.00 0.00 273 L 8.60 4.06 0.00 1.81 1.47 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 274 Q 8.03 3.94 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 275 S 7.90 4.10 0.00 3.90 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 0.00 276 F 8.36 4.66 0.00 3.23 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 0.00 277 L 8.08 3.78 0.00 1.59 1.63 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 278 Q 7.77 4.08 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 279 E 7.30 4.04 0.00 2.01 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 2.29 2.40 0.00 280 N 7.19 4.99 0.00 2.60 2.58 0.00 0.00 6.90 7.45 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 0.00 281 I 8.31 3.68 1.84 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 1.38 0.49 0.88 0.00 0.00 282 L 8.32 3.95 0.00 1.63 1.62 0.93 0.88 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 0.00 283 E 8.56 4.05 0.00 1.89 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 2.27 2.33 0.00 284 H 8.58 4.52 0.00 3.20 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 H 8.15 4.28 0.00 3.18 3.28 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 H 7.35 5.05 0.00 3.07 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 H 8.49 4.56 0.00 3.10 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 H 8.16 4.95 0.00 3.05 3.16 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 289 H 7.99 4.48 0.00 3.17 3.19 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.