NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6291 8.2233 120.1933 54.4295 43.4866 177.4993 4 I 3.6907 7.6791 121.1404 63.4295 37.9752 172.8421 5 V 3.6729 8.4830 121.7403 65.8766 32.4840 177.5460 6 A 4.0116 8.0995 121.0017 54.5761 18.3039 177.9748 7 S 4.6559 7.6405 107.0067 58.2412 63.5002 173.8242 8 T 4.5985 7.4560 118.2147 62.0350 70.2977 173.8017 9 Q 4.0862 8.6725 128.3806 58.1960 29.6274 175.4781 10 L 4.9437 7.3246 115.8864 51.7556 45.6313 174.6470 11 P 4.8002 0.0000 0.0000 62.8513 31.7896 176.0817 12 N 4.7787 9.2288 121.5713 53.4648 39.9896 174.4165 13 T 4.5464 8.9807 112.7713 59.1695 72.6877 174.8543 14 I 3.6274 8.5340 121.5048 64.5116 36.9456 178.4026 15 K 3.9051 7.9841 119.8305 59.8329 32.0742 178.8172 16 T 3.9229 7.9579 110.0500 64.7485 68.6328 176.6564 17 I 3.6438 8.2200 123.0721 64.4494 37.1587 178.3484 18 T 3.8281 8.1177 116.8058 66.8591 68.1826 176.3916 19 N 4.3563 8.0387 118.1883 56.4040 38.6455 177.2833 20 D 4.3293 8.3387 120.5050 57.2041 40.8518 178.8587 21 L 3.9416 8.2131 119.8457 57.8895 41.7246 179.7960 22 R 4.0694 8.0533 117.9448 59.1494 29.7576 179.1163 23 K 3.8990 8.0041 117.4802 59.5953 32.1556 178.8388 24 L 4.1341 7.6047 119.2635 57.4617 42.0449 176.7717 25 G 3.6987 7.2610 104.7575 44.8902 0.0000 174.0184 26 L 4.0179 7.6124 121.0621 54.5631 42.0916 176.3398 27 K 4.4632 7.8801 119.5576 55.0520 35.2907 175.3652 28 K 4.1769 7.8570 120.3186 57.7473 32.6330 177.0526 29 G 3.7239 8.5146 115.3087 46.1378 0.0000 172.4868 *31 T 4.5006 7.4697 114.9361 63.6498 70.8886 174.6432 32 V 5.0091 8.8225 125.9676 60.0592 35.1418 173.9798 33 I 4.7751 8.7725 125.5950 59.5956 39.5955 174.1711 34 V 4.8170 8.4964 129.6386 61.3502 33.8730 174.3195 35 H 5.1256 9.1052 124.4408 54.0279 32.1806 172.7438 36 S 5.0221 8.5920 116.0152 56.9220 65.9940 173.1670 37 S 4.5518 8.6591 117.2325 56.6471 63.7758 174.2830 38 L 3.9358 8.7864 129.6729 58.4475 42.0689 178.9948 39 S 4.1988 8.0637 113.6996 61.2838 62.9984 176.2979 40 S 4.1935 7.8119 117.2973 61.2314 62.6074 176.5382 41 I 3.9434 7.6274 123.3374 63.7527 36.8967 175.7516 42 G 3.7597 7.9593 104.2921 43.5433 0.0000 171.8685 43 W 4.0410 8.9645 129.4915 57.1225 31.3279 175.9253 44 I 4.4744 6.8738 125.8145 59.0716 39.1364 174.6147 45 S 3.5438 8.6239 121.2261 61.3438 61.5814 173.9054 46 G 3.9851 8.8308 116.6932 44.2052 0.0000 174.1074 47 G 3.6312 7.3003 109.2897 46.0014 0.0000 176.5614 48 A 3.9205 8.5571 125.0548 54.7103 17.9044 179.7126 49 V 3.5826 7.5955 116.8897 66.0621 31.5400 178.0433 50 A 3.9271 7.6692 120.6558 55.1223 18.2254 179.7544 51 V 3.4047 7.5977 116.1368 66.0445 31.4504 178.1960 52 V 3.3248 7.3741 116.4928 66.0402 31.4375 177.4523 53 E 3.9412 8.1637 117.0043 59.2569 29.5850 178.9120 54 A 4.1452 8.0757 120.8283 55.0132 18.3222 180.3661 55 L 3.6847 7.5493 114.0161 55.6319 41.1757 178.7415 *57 E 4.2037 8.0880 121.7970 56.2979 31.4960 177.2962 58 V 3.7751 7.8190 118.2223 65.9577 32.1135 178.1765 59 I 3.8013 8.2508 121.0999 63.3227 37.3218 177.3911 60 T 4.1126 8.1142 110.3745 60.5285 68.5934 172.2395 61 E 3.2836 8.6157 119.5522 58.5638 29.4221 178.2884 62 E 4.0471 8.0439 117.4184 57.4975 30.0635 176.1570 63 G 4.3413 7.8373 106.8385 44.8370 0.0000 172.2202 64 T 5.3908 8.2962 114.4769 61.9765 72.9685 173.2092 65 I 4.9140 9.3738 127.1147 59.8808 39.9681 175.0004 66 I 5.6246 8.8284 127.4725 57.8507 41.2439 172.2853 *68 P 4.1830 0.0000 0.0000 62.5889 32.1546 176.6192 69 T 4.7994 7.9838 111.4597 61.2602 68.0944 174.3574 70 Q 4.2841 8.0207 120.6407 56.5598 30.5173 177.7617 71 S 5.0262 8.5471 115.9501 56.9452 62.9566 175.2414 72 S 4.3369 7.8423 116.8096 61.2503 63.5322 176.5224 73 D 4.4537 8.0125 119.9997 56.2810 40.6891 176.5972 74 L 4.6530 7.9881 118.4297 54.7602 41.9360 176.8605 75 S 4.7922 8.1502 114.5022 57.1306 64.3310 173.3232 76 D 4.5422 8.6612 120.7706 53.3690 41.1801 174.8564 77 P 2.0000 0.0000 0.0000 63.4869 31.3131 179.0040 78 K 2.0000 7.4705 121.5163 57.0331 31.4750 182.9598 79 H 4.6197 7.5553 113.4612 55.8380 29.1004 175.5970 80 W 4.6168 7.4985 121.4294 56.7560 29.5990 176.2063 81 S 4.6931 8.8837 116.5825 58.4337 64.6391 174.2050 82 R 4.7923 7.7283 118.0101 54.0673 29.5930 176.8066 83 P 5.3008 0.0000 0.0000 59.6219 34.1101 174.1075 84 P 4.8983 0.0000 0.0000 62.5807 32.1816 175.5234 85 V 4.2499 8.1129 111.0213 58.3163 34.9393 174.1932 86 P 3.9745 0.0000 0.0000 62.7561 31.8529 177.2134 87 E 2.0000 8.2984 122.1081 58.7927 28.9720 178.8990 88 E 3.8681 7.8457 118.6306 58.9053 29.6474 178.6866 89 W 4.2861 8.5181 119.4922 59.1972 29.0658 178.3450 90 W 4.2919 8.1592 119.3433 60.0169 28.5758 178.2029 91 Q 3.9349 8.0817 118.5572 58.6616 28.4461 177.9051 92 I 3.6875 7.0716 120.7922 64.1260 37.1055 178.3373 93 I 3.6551 8.1172 121.0475 64.6139 36.7955 178.7559 94 R 2.8538 7.3345 117.1190 58.6708 29.7143 178.2925 95 D 4.5676 7.5625 117.0359 55.5277 41.1547 176.9015 96 N 4.9620 7.5675 114.2722 52.8392 41.0798 175.4751 97 V 3.8125 8.1732 118.6902 61.0046 31.8309 174.4805 98 P 4.4621 0.0000 0.0000 61.9098 31.9856 176.0427 99 A 4.3728 8.4391 123.2304 51.9051 19.1565 177.2087 100 F 4.3181 8.9131 123.9148 58.7271 40.2530 174.5446 101 E 4.4937 8.6653 125.2598 53.7590 32.5752 175.0734 102 P 3.5696 0.0000 0.0000 65.5639 31.6593 177.4135 103 H 4.3811 7.8762 115.1210 57.5849 29.1539 175.9021 104 I 4.1426 7.2591 118.2151 62.8307 38.4871 176.3283 105 T 3.9102 7.6176 117.6932 62.8546 68.2740 172.8432 106 P 4.5226 0.0000 0.0000 62.2514 32.1858 176.1994 107 T 4.5402 8.6254 110.9794 61.0863 69.8996 174.2403 108 R 4.3741 8.1199 121.7713 55.5596 33.3219 174.4941 109 A 3.3135 8.5210 126.0049 53.0738 15.0589 176.5698 *111 G 3.7767 7.2879 109.4054 43.6682 0.0000 171.7247 112 K 4.0829 8.2878 118.7762 59.1178 31.9226 180.0205 113 V 3.5893 7.6633 118.4585 65.7835 31.5544 178.1046 114 V 3.6734 7.6992 117.5426 66.1814 31.2906 177.6539 115 E 4.0365 8.0691 117.0414 59.4338 29.6553 178.8433 116 C 4.3057 8.2635 118.6954 62.5351 31.7708 175.1557 117 F 4.2086 8.6460 122.9868 61.4513 38.7301 177.0067 118 R 3.9896 8.1814 113.7262 57.9307 29.5270 177.0375 119 T 4.4350 7.4014 107.9549 61.4108 69.8517 174.5120 120 Y 3.9727 7.7779 121.5770 56.9763 38.5088 173.7273 121 P 4.4249 0.0000 0.0000 64.5545 31.6548 176.4754 122 N 4.4868 8.9543 116.6656 53.3999 36.2811 174.1772 123 V 4.2582 7.5445 118.7209 62.3694 32.4573 175.5963 124 V 4.5711 8.8215 120.9546 59.5176 34.7220 174.4866 125 R 5.2840 8.3904 124.0334 54.3055 32.3267 175.5260 126 S 4.4747 9.4855 121.2683 58.4870 64.1976 174.3394 127 N 4.9736 8.5304 119.7284 51.9348 37.3965 172.0294 128 H 4.5305 7.4510 119.9161 52.8780 33.1665 172.2323 129 P 3.1471 0.0000 0.0000 64.0727 31.9743 176.6242 130 L 4.5534 7.7201 118.9361 54.5626 44.8739 177.9907 131 G 4.3335 7.9103 105.0596 45.6149 0.0000 173.9333 132 S 4.9016 7.9955 114.3441 57.8190 65.2093 172.7155 133 F 5.2214 9.5239 118.4126 55.7031 43.4081 173.8441 134 A 5.4659 8.9118 122.3005 50.4174 21.9733 175.2099 135 A 5.6248 9.5239 121.8743 50.3523 23.5685 174.9085 136 W 5.0842 10.0226 129.1631 57.1180 34.5285 174.1588 137 G 3.1147 8.5760 110.8239 43.7073 0.0000 173.3429 138 R 3.6254 7.9627 119.8655 59.9690 30.1102 179.2177 139 H 4.8813 8.4133 113.0639 55.5804 29.0761 176.7289 140 A 4.0371 7.8466 126.4535 55.1980 18.1767 180.2992 141 E 3.8793 8.0227 117.2806 59.4440 29.7014 178.1781 142 E 3.9418 8.2067 117.4385 59.6966 29.9307 178.5020 143 I 3.8585 8.1036 119.9224 63.9949 36.9397 177.9329 144 T 4.3640 7.3200 108.6561 62.1313 69.5098 175.9182 145 V 3.7844 7.3181 115.2853 61.9526 32.2028 175.1025 146 N 4.5946 8.7045 117.8872 54.4487 37.2056 174.1633 147 Q 4.2328 7.4461 117.4445 55.3597 29.8027 175.6304 148 S 4.2093 8.9816 121.0532 58.0274 63.1398 174.3699 149 L 3.7246 8.3613 129.5692 58.4319 42.0766 178.8338 150 S 5.3762 7.7871 116.5380 57.1780 60.9072 173.6100 *152 S 4.7352 7.8920 117.0864 57.5226 64.8925 175.6920 153 L 4.7647 8.2204 118.9610 54.2984 41.5172 177.2803 154 G 4.2035 7.6087 111.4843 45.5117 0.0000 177.0474 155 E 4.0866 8.8945 121.1942 58.4424 30.3494 177.1305 156 E 4.6807 7.5347 117.2170 55.0734 29.6657 174.5955 157 S 4.9152 7.2598 112.6198 54.9320 67.0746 173.2406 158 P 4.2611 0.0000 0.0000 64.9353 30.6510 178.9380 159 L 3.8268 7.3099 117.4620 57.6988 41.5352 179.4781 160 R 3.9058 7.7868 118.2573 59.2274 30.0928 178.7608 161 K 4.0081 7.7716 117.9868 59.3585 32.1435 179.2678 162 I 3.6791 7.8672 120.1787 64.4082 37.0577 177.5640 163 Y 4.5430 7.9085 121.7076 60.4080 38.3224 178.2635 164 D 4.5007 8.1371 118.1294 57.0794 41.0222 177.9616 165 L 4.1316 7.6059 116.5687 54.0470 42.5624 175.9050 166 D 4.0901 7.8512 117.8377 55.0839 40.0678 172.7779 167 G 4.0509 7.8699 106.2884 46.2731 0.0000 172.6626 168 Y 5.0008 9.2657 117.0985 56.1114 41.4994 175.3067 169 I 4.9853 8.2713 120.6575 59.5206 40.9550 174.1419 170 L 5.0020 9.0637 129.2797 53.2869 44.4535 174.7054 171 L 4.9120 8.9859 126.9785 53.2594 44.1456 175.6215 172 I 4.2124 8.9890 126.3123 59.7051 38.1705 175.9829 173 G 4.2327 8.8544 113.5066 45.8784 0.0000 171.7556 174 V 4.4683 7.5351 110.9574 59.1942 35.5655 175.1126 175 G 4.2339 7.9810 109.8937 44.2142 0.0000 173.6939 176 Y 4.0353 8.6039 115.4506 60.2428 38.0580 177.9369 177 D 4.6230 8.2636 118.5367 55.7822 39.5639 177.0807 178 S 4.5084 7.8372 114.1728 58.5315 63.4485 174.5998 179 N 4.3861 8.0167 121.6421 51.9653 37.3165 174.9579 180 T 4.0593 8.0078 120.7171 66.5671 68.7152 175.6446 181 S 4.2059 8.0755 116.2350 61.2390 62.9957 176.4147 182 V 3.4010 7.6732 120.6585 65.3914 31.0138 177.5389 183 H 4.8961 8.1258 117.4470 58.3709 28.3368 177.2484 184 L 4.1978 8.1366 122.5553 57.9576 41.7303 179.0383 185 S 4.3784 7.8952 116.2467 61.0354 62.7023 176.2385 186 E 3.6058 8.1714 120.8995 59.3378 29.0997 179.6492 187 V 3.6301 7.9695 118.1506 66.1919 31.4462 178.3527 188 R 4.0196 8.2798 116.8267 58.0926 29.9857 178.0039 189 S 4.6754 7.8659 111.5138 56.7886 63.4669 173.8784 190 G 3.8549 7.9197 111.1036 46.7789 0.0000 175.7322 191 A 4.0601 8.0035 122.8698 53.6797 18.8338 178.2578 192 C 4.8967 6.9412 112.3774 57.4788 31.6095 173.9076 193 E 4.1061 8.3883 121.0905 56.3540 29.7638 176.5259 194 L 4.6479 8.1670 122.2592 54.0726 42.7862 176.1491 195 I 4.6642 9.0297 118.9666 59.4328 41.6247 175.0397 196 K 4.6551 8.5135 126.7251 54.7458 32.4512 177.3372 197 V 4.4503 8.6038 118.5909 58.6681 35.9272 174.6180 198 G 4.1997 8.0419 106.3974 45.5466 0.0000 171.9958 199 A 4.1638 7.8717 121.8678 49.8455 23.5764 173.3505 200 P 5.3458 0.0000 0.0000 61.6050 33.2644 174.8214 201 I 4.9875 8.6678 117.3061 58.7642 41.6282 174.6212 202 I 4.3816 8.4187 124.3130 60.9058 37.5631 175.3771 203 E 4.3918 9.1284 129.2744 55.0477 31.0269 175.0963 204 N 4.1078 9.1995 125.8862 54.6035 35.4179 176.5520 205 G 4.0089 8.4478 104.4600 45.6625 0.0000 173.4973 206 E 4.7772 7.6942 118.4089 53.8935 32.1701 175.8990 207 R 4.4597 8.6557 122.7251 57.4077 31.2601 175.7549 208 V 4.2762 8.1474 119.3845 61.9046 35.8992 171.4191 209 W 4.8800 9.2054 135.0000 56.7325 31.2343 174.8094 210 K 4.5583 8.7935 132.5903 55.3983 33.6750 175.2899 211 E 5.1385 8.7354 125.3689 55.4985 31.8076 172.3111 212 F 4.8913 8.6075 117.9025 55.6032 41.9831 172.4137 213 V 4.8688 8.4628 117.4637 60.5202 34.4226 172.6042 214 D 4.4002 8.8455 129.8463 53.6149 47.3800 176.4912 *216 D 4.3953 8.5767 109.1421 53.3340 40.2923 172.9681 217 Y 4.2016 7.3442 116.9856 58.6684 38.6567 176.8153 218 D 4.4885 9.7001 123.2868 52.6221 42.5134 175.5028 219 S 2.7900 8.1460 119.3374 58.2364 63.3312 176.0256 220 D 4.3937 7.9289 121.5338 56.7689 40.7613 177.5251 221 K 4.3215 7.5483 116.7079 57.8758 32.7246 179.0012 222 F 4.3708 7.9269 118.3642 60.0644 38.6570 177.7704 223 V 3.6153 7.7752 117.8743 65.9608 31.5566 177.4053 224 E 3.8711 8.0620 118.5299 59.3422 29.4230 178.6570 225 I 2.9064 6.8881 119.8123 64.0107 37.0185 178.7278 226 G 2.2972 7.5769 106.5780 46.9736 0.0000 175.9638 227 V 3.4778 7.2099 119.6666 65.8218 31.8761 177.6354 228 E 4.1190 7.8936 117.9478 59.3782 29.3580 178.9332 229 F 2.9650 8.1022 120.9276 61.2036 39.3245 177.0238 230 E 3.7225 8.0490 117.1392 58.6046 28.9429 179.0497 231 Q 3.9966 7.5239 117.5301 58.2144 28.7726 178.1588 232 K 4.0571 7.5787 118.9560 56.8009 32.0922 177.1848 233 G 3.7332 7.7175 107.0597 47.1012 0.0000 174.1492 234 T 4.3450 7.6491 106.4437 60.6214 69.2745 173.2707 235 V 4.5110 7.3302 121.8953 61.9254 33.4164 175.6623 236 T 4.2138 8.7271 125.0506 62.7633 71.0461 173.3181 *238 G 3.8758 8.1551 108.2971 46.5143 0.0000 171.6528 239 K 5.6727 8.4414 117.2160 53.7726 34.5902 176.2155 240 I 4.5096 8.0711 122.9445 60.1356 39.5903 176.7683 241 G 3.8843 8.0216 116.5389 46.1033 0.0000 175.2196 242 N 4.5225 9.3147 122.9526 53.7923 39.0238 174.7501 243 A 4.3024 8.0463 122.1742 51.2061 20.1402 176.5440 244 K 4.5296 8.6278 123.9361 56.2381 33.4090 175.4326 245 C 5.4964 9.0465 124.8804 58.0887 32.0612 173.7193 246 R 4.9009 9.0188 119.4237 54.5402 34.0004 174.1467 247 L 5.5867 8.8388 124.8500 52.1067 45.5126 175.4470 *249 K 3.6436 8.3865 122.2418 55.8878 33.5816 176.9258 250 Q 3.9346 8.7613 124.4090 59.3723 28.8771 178.9594 251 R 3.7018 7.5903 118.6563 58.8507 29.9775 178.2191 252 D 4.3765 7.6444 117.0673 57.6111 41.3489 178.2926 253 I 2.6461 7.4491 118.5198 63.4794 37.9639 177.9087 254 V 3.7371 7.8465 120.6636 65.5280 31.4571 177.7954 255 D 4.4288 8.5957 119.0713 57.3348 40.6135 178.4422 256 F 4.2158 8.5191 121.3639 61.3083 39.4068 177.3588 257 G 3.5293 8.6250 105.6596 48.0242 0.0000 175.5981 258 T 4.0661 8.1036 118.3301 66.7243 68.5473 176.5803 259 E 3.9697 8.1236 120.1811 58.8290 29.1755 179.1603 260 W 3.7599 7.8429 127.9862 60.5193 30.9709 177.7540 261 F 4.5246 8.3317 117.6136 60.7405 38.1227 177.9453 262 R 3.9927 7.8924 116.7539 59.1013 29.9437 178.8495 263 K 3.9459 7.7695 116.7645 56.7628 32.1968 177.2524 264 K 4.1010 7.2452 122.8242 56.6612 32.4618 175.6721 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 D 8.22 4.63 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.68 3.69 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 1.07 0.00 0.00 5 V 8.48 3.67 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 0.81 0.00 0.00 0.78 0.00 0.00 6 A 8.10 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.64 4.66 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.46 4.60 4.45 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 1.35 0.00 0.00 9 Q 8.67 4.09 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 10 L 7.32 4.94 0.00 1.65 1.54 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.80 0.00 2.17 2.63 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 12 N 9.23 4.78 0.00 2.72 2.71 0.00 0.00 6.48 6.77 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 13 T 8.98 4.55 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 1.25 0.00 0.00 14 I 8.53 3.63 1.86 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 1.66 0.63 0.89 0.00 0.00 15 K 7.98 3.91 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 16 T 7.96 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 17 I 8.22 3.64 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.85 0.00 0.00 18 T 8.12 3.83 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 1.19 0.00 0.00 19 N 8.04 4.36 0.00 2.92 2.85 0.00 0.00 7.05 8.10 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 20 D 8.34 4.33 0.00 2.81 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 21 L 8.21 3.94 0.00 1.79 1.66 0.85 0.95 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 *31 T 7.47 4.50 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 1.25 0.00 0.00 32 V 8.82 5.01 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 0.87 0.00 0.00 0.95 0.00 0.00 33 I 8.77 4.78 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.79 0.97 0.00 0.00 34 V 8.50 4.82 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 0.70 0.00 0.00 0.79 0.00 0.00 35 H 9.11 5.13 0.00 3.02 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.59 5.02 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.66 4.55 0.00 3.90 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 38 L 8.79 3.94 0.00 1.75 1.62 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.06 4.20 0.00 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184 L 8.14 4.20 0.00 1.75 1.83 0.95 0.73 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 0.00 185 S 7.90 4.38 0.00 4.23 4.08 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 0.00 186 E 8.17 3.61 0.00 2.46 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 2.08 2.81 0.00 187 V 7.97 3.63 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 1.05 0.00 0.00 1.17 0.00 0.00 188 R 8.28 4.02 0.00 1.89 1.97 0.00 3.05 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 189 S 7.87 4.68 0.00 4.18 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 0.00 190 G 7.92 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 0.00 191 A 8.00 4.06 0.52 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 0.00 192 C 6.94 4.90 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.39 4.11 0.00 1.89 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 2.27 2.24 0.00 194 L 8.17 4.65 0.00 1.47 1.53 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 195 I 9.03 4.66 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.83 0.00 0.00 196 K 8.51 4.66 0.00 1.56 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.03 7.81 197 V 8.60 4.45 1.65 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 0.41 0.00 0.00 -0.18 0.00 0.00 198 G 8.04 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 0.00 199 A 7.87 4.16 1.13 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 0.00 0.00 0.00 200 P 0.00 5.35 0.00 2.30 2.56 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 201 I 8.67 4.99 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.76 0.00 0.00 202 I 8.42 4.38 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.93 0.00 0.00 203 E 9.13 4.39 0.00 1.82 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 2.20 2.22 0.00 204 N 9.20 4.11 0.00 2.98 2.92 0.00 0.00 6.98 7.61 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 0.00 205 G 8.45 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 E 7.69 4.78 0.00 2.07 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 2.53 2.24 0.00 207 R 8.66 4.46 0.00 1.90 1.94 0.00 3.34 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 208 V 8.15 4.28 2.22 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 0.89 0.00 0.00 1.04 0.00 0.00 209 W 9.21 4.88 0.00 3.67 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 K 8.79 4.56 0.00 1.79 1.59 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.43 7.81 211 E 8.74 5.14 0.00 1.79 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 212 F 8.61 4.89 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 V 8.46 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 214 D 8.85 4.40 0.00 2.76 1.57 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 *216 D 8.58 4.40 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.34 4.20 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 0.00 218 D 9.70 4.49 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 S 8.15 2.79 0.00 3.76 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 0.00 220 D 7.93 4.39 0.00 2.87 2.76 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 0.00 221 K 7.55 4.32 0.00 2.20 2.14 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.28 7.81 222 F 7.93 4.37 0.00 3.14 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 0.00 223 V 7.78 3.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 224 E 8.06 3.87 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 225 I 6.89 2.91 1.54 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.53 0.00 0.00 226 G 7.58 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 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.21 3.48 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 0.84 0.00 0.00 0.96 0.00 0.00 228 E 7.89 4.12 0.00 2.42 2.31 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 2.48 2.61 0.00 229 F 8.10 2.96 0.00 2.27 2.75 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 0.00 230 E 8.05 3.72 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 231 Q 7.52 4.00 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 232 K 7.58 4.06 0.00 1.35 1.65 0.00 1.89 0.00 0.00 1.39 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.29 7.81 233 G 7.72 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 0.00 0.00 0.00 234 T 7.65 4.34 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 1.07 0.00 0.00 235 V 7.33 4.51 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 0.90 0.00 0.00 1.01 0.00 0.00 236 T 8.73 4.21 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 1.25 0.00 0.00 *238 G 8.16 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 0.00 239 K 8.44 5.67 0.00 1.72 1.89 0.00 1.75 0.00 0.00 2.36 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.37 7.81 240 I 8.07 4.51 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.87 0.00 0.00 241 G 8.02 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 0.00 242 N 9.31 4.52 0.00 2.95 2.89 0.00 0.00 6.94 7.49 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 0.00 243 A 8.05 4.30 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 K 8.63 4.53 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 245 C 9.05 5.50 0.00 2.92 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 0.00 246 R 9.02 4.90 0.00 1.59 1.74 0.00 2.97 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 247 L 8.84 5.59 0.00 1.71 1.48 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *249 K 8.39 3.64 0.00 1.75 1.48 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.42 1.17 7.81 250 Q 8.76 3.93 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 251 R 7.59 3.70 0.00 1.60 1.62 0.00 2.95 0.00 0.00 2.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 252 D 7.64 4.38 0.00 2.88 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 0.00 253 I 7.45 2.65 1.01 0.00 0.00 0.02 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 0.56 0.82 0.00 0.00 254 V 7.85 3.74 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 1.31 0.00 0.00 1.07 0.00 0.00 255 D 8.60 4.43 0.00 3.02 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 0.00 256 F 8.52 4.22 0.00 3.35 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 0.00 257 G 8.62 3.53 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 0.00 0.00 0.00 258 T 8.10 4.07 4.43 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 1.25 0.00 0.00 259 E 8.12 3.97 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 260 W 7.84 3.76 0.00 2.78 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 0.00 261 F 8.33 4.52 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 R 7.89 3.99 0.00 1.95 1.98 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 263 K 7.77 3.95 0.00 1.93 1.65 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.35 7.81 264 K 7.25 4.10 0.00 1.77 1.72 0.00 1.61 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.