NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4655 8.1933 115.4142 58.1181 64.8350 174.5157 29 T 3.6929 8.3113 116.2709 66.0277 68.1583 175.2358 30 N 4.4451 8.3560 118.7201 56.4502 39.5182 176.2554 31 K 3.9415 7.8933 121.3802 59.7341 32.3191 178.3084 32 H 4.2025 8.0445 117.7905 59.2247 29.7013 177.1338 33 L 4.1558 8.0644 120.7517 57.8974 41.2766 179.7110 34 K 3.8864 7.9808 117.0930 59.5270 32.1718 178.6762 35 N 4.7179 7.9619 113.4763 54.3799 38.9084 175.4181 36 N 5.0123 7.8185 116.4373 52.2430 40.4817 175.6706 37 F 4.3526 8.1673 122.1758 62.2939 39.1909 177.3903 38 N 4.2346 8.2198 115.1168 55.9313 38.5195 177.4273 39 S 4.0613 8.0057 114.2232 61.3288 62.4018 175.9855 40 L 3.9810 8.2337 120.5391 58.0326 41.4771 178.6236 41 H 4.1223 7.6875 116.3233 59.5281 29.8672 176.6565 42 N 4.4407 8.1277 116.9026 56.2268 38.3970 176.5903 43 Q 4.2324 7.8147 117.9714 56.3617 28.7800 177.8209 *45 R 4.2486 7.9349 116.7609 55.2966 31.3291 175.8577 46 K 4.2829 7.3518 118.6984 53.9986 31.7789 173.4039 *48 P 4.1726 0.0000 0.0000 62.7158 32.7132 177.7733 49 V 3.8487 8.1923 112.2965 62.0973 31.9862 176.6127 50 S 4.2870 9.1493 119.3402 58.1771 63.5407 173.2941 51 H 4.6087 8.0276 121.2591 54.1556 31.8854 172.8185 52 F 4.6963 8.2329 124.9478 55.3588 40.6818 175.2058 53 K 4.1855 9.2428 128.7089 55.4040 31.0476 176.3502 54 E 4.3511 8.5185 125.6692 56.0863 30.3235 176.8856 55 A 4.5409 8.6770 125.1462 51.6066 19.9843 178.1727 56 L 4.3531 8.3866 120.1686 56.2848 44.1299 177.5975 57 D 4.6336 7.8112 118.0899 53.4271 39.5266 174.4820 58 V 4.2355 6.9573 113.3646 58.4313 35.8316 174.2324 59 P 4.5233 0.0000 0.0000 62.2656 31.8882 176.1456 60 D 5.0224 8.2965 120.5310 52.1062 41.3815 175.9358 61 Y 3.9053 9.0363 119.7913 60.7282 38.6736 178.3948 62 S 3.9711 8.2678 112.4793 61.1728 63.2260 176.4091 63 G 3.7869 8.0569 111.6014 45.3145 0.0000 174.2705 *65 R 4.0820 7.9888 115.3960 55.3974 33.1827 177.6961 *68 G 4.4691 8.6459 106.6746 46.1495 0.0000 173.8482 69 F 4.4458 9.4004 123.8035 59.3770 42.9664 174.3043 70 F 5.3735 8.4075 118.6189 56.8926 40.2221 173.9311 71 A 4.5602 7.7873 132.1061 50.9602 22.7110 178.0107 *73 S 4.2966 8.7154 115.4689 61.0606 62.4175 173.3114 74 Q 3.5573 9.7733 127.4627 57.1057 26.0679 175.2039 75 G 3.9268 8.5042 106.9143 45.1814 0.0000 173.5310 76 F 4.7903 7.9816 119.0428 56.5684 40.0685 175.3293 77 Q 4.1430 9.3256 126.6628 55.6261 30.1840 174.4341 78 L 4.9970 8.8761 127.6694 53.5992 43.9791 175.4862 79 N 5.2675 9.0429 121.5429 52.2931 42.5140 172.4762 80 N 4.9413 9.1657 125.9316 51.7979 39.7266 173.1700 81 H 4.7700 8.2042 120.1479 53.6170 30.8919 175.4926 82 G 3.7597 8.5132 107.2296 46.1660 0.0000 173.9795 83 Y 4.4685 8.1110 115.9664 57.9240 38.4080 174.2401 84 D 4.7122 7.6715 118.0779 52.8958 42.3667 174.9763 85 V 4.1330 7.7008 109.6885 61.3417 32.6388 175.6708 86 F 5.3315 8.3732 118.9157 55.6793 42.9382 174.6248 87 I 4.5053 8.5384 119.5372 60.1153 40.0067 175.0672 88 H 5.0397 9.0447 124.6604 54.6269 31.0920 174.4329 89 A 4.7453 8.3806 122.6214 50.1348 22.1144 175.1220 90 R 4.9676 8.7428 122.8202 54.4500 33.6708 174.1488 91 R 4.0439 9.1296 128.3909 55.8923 30.3505 176.8896 92 E 3.8723 8.8042 128.5033 58.7543 29.9422 176.7153 93 S 4.7483 7.1290 113.6322 56.7935 66.5280 170.7636 94 P 3.9168 0.0000 0.0000 64.9769 29.4076 177.8856 *96 S 4.1624 8.9481 117.3459 59.3379 64.3528 173.4541 97 Q 4.4721 8.7672 123.9194 55.7379 30.1283 176.2305 98 G 3.8729 7.8804 106.8754 45.3602 0.0000 173.3139 99 K 4.5818 8.3468 119.4414 54.7125 33.3727 177.5058 100 F 4.3393 8.9540 125.2600 59.1293 39.5817 174.7064 101 A 4.2813 8.6159 128.9437 51.6862 19.5205 177.2583 102 G 3.1986 5.4615 106.1171 44.9186 0.0000 173.3401 103 D 4.8268 7.3819 120.6807 54.1346 41.8700 175.4459 104 K 4.8771 8.1231 120.4755 56.1086 36.4658 174.3652 105 F 5.4471 9.0930 119.5436 56.1906 43.0952 173.9703 106 H 5.5506 9.2744 117.1679 54.1915 33.0592 172.7525 107 I 4.9806 8.8613 121.5157 59.7356 40.0931 174.6101 108 S 5.4298 9.1446 123.7430 56.9709 64.8742 173.9898 109 V 4.8219 9.0479 117.0323 59.0530 36.1542 175.1261 110 L 4.0900 8.8204 124.9740 54.9346 42.3958 176.9021 111 R 4.0890 8.8900 122.7678 59.7141 29.1125 178.8283 112 D 4.3980 7.9494 117.2362 54.0158 40.6630 177.7263 *114 V 4.1301 7.9936 120.2349 62.5131 33.4658 175.4836 115 P 3.7755 0.0000 0.0000 65.4956 31.0049 178.6485 116 Q 3.9829 7.9608 116.1449 58.7787 28.7398 178.3479 117 A 3.8255 7.8988 121.3210 54.9897 18.5139 179.1304 118 F 4.2454 8.8413 119.4558 61.6547 39.3164 176.9584 119 Q 3.9060 8.1000 117.3570 59.3305 28.9313 177.9730 120 A 3.9937 7.9791 120.5628 54.5420 18.6101 178.7041 121 L 3.9972 7.5354 115.8850 55.0211 42.1123 178.7887 122 S 3.8674 7.5586 115.6191 61.4081 62.5617 176.6867 123 G 3.8826 7.9358 108.7358 47.2415 0.0000 175.4768 124 L 4.0158 7.5696 121.0571 57.4349 41.5534 179.4191 125 L 3.6534 7.6864 117.9943 56.7599 41.3763 178.5484 126 F 4.5266 7.6686 114.8246 56.0921 39.9545 176.0264 127 S 4.4112 7.6022 115.5831 58.0162 62.7544 175.0354 128 E 4.1906 8.9800 124.9271 59.0155 29.5199 177.3080 129 D 4.7474 7.9677 117.4312 54.3087 41.5244 176.7410 130 S 3.4314 7.7479 115.3700 57.6949 62.6054 172.0960 131 P 4.5105 0.0000 0.0000 63.1463 31.6585 176.0419 132 V 4.2636 7.0302 120.0704 61.8723 30.9732 174.9740 133 D 4.8156 8.7471 128.2095 56.1450 42.2936 176.3337 134 K 5.3365 8.2406 120.0926 54.6528 35.8548 174.9928 135 W 6.0510 8.9031 123.5447 55.9677 32.3870 173.0464 136 K 5.1745 9.1962 117.6045 55.8590 35.8300 175.2831 137 V 5.0032 8.6526 120.7237 59.8220 34.7602 175.0708 138 T 4.4786 8.7711 114.5180 62.2655 69.6862 173.5889 139 D 5.0656 8.8443 123.6003 52.1152 43.9070 176.1807 *141 E 4.2785 8.5469 116.7678 56.5237 31.4132 178.6807 142 K 4.1578 7.9887 117.5270 59.3505 31.9169 179.9255 143 V 3.5482 7.7715 112.9468 64.1312 31.2491 178.7762 144 V 3.6258 7.6130 117.7219 65.9907 31.3076 178.0281 145 Q 4.0532 7.9716 116.8883 58.2901 28.5429 177.6471 146 Q 4.3756 7.9407 116.2845 54.2474 29.2158 175.1827 147 A 3.7586 7.4264 121.2733 53.1283 16.8202 178.1914 148 R 4.4310 8.0515 117.5506 56.6319 31.6483 177.0507 149 V 4.2218 7.9419 113.0748 60.5396 32.9579 176.7307 150 S 4.5315 8.1745 116.6992 56.4999 62.5564 172.7599 151 L 4.4846 7.9476 125.1083 55.0090 43.1924 176.3490 152 G 4.3956 8.3079 103.2954 47.3765 0.0000 171.9082 153 A 3.9610 8.6886 119.2230 53.4158 16.6739 179.2130 154 Q 4.2517 8.1659 119.2240 59.0078 30.1793 176.8875 155 F 5.4540 8.1470 116.2009 55.8828 43.3562 174.2677 156 T 5.0561 9.0014 118.1583 61.8032 72.4621 172.7391 157 L 5.0317 9.1435 126.4345 53.2056 44.4178 175.0551 158 Y 4.8675 8.9182 122.7483 57.0827 38.9559 175.2588 159 I 5.0093 8.7599 124.8233 59.6510 39.9752 175.1244 160 K 4.8773 8.9255 125.6214 54.0332 35.5962 173.9110 161 P 3.8535 0.0000 0.0000 63.1486 31.9421 176.9542 162 D 4.0807 8.1638 122.7250 55.9611 40.9043 176.8425 163 Q 4.4098 7.5311 117.4312 54.8057 29.5585 176.6392 164 E 3.8884 8.6447 121.6506 59.1713 29.8084 177.3785 165 N 4.5542 8.0281 113.4435 52.6826 37.5044 175.1598 166 S 3.7265 7.8933 113.0937 59.6225 60.9490 170.3489 167 Q 4.4742 7.9365 119.7304 54.1695 30.0664 174.9517 168 Y 4.6264 8.4836 120.4922 57.9679 38.9561 176.1071 169 S 4.8542 9.0195 119.1572 57.1190 66.3479 175.4301 170 A 4.0998 8.5475 124.6063 55.4370 18.1376 180.3474 171 S 4.1278 8.1282 113.2236 61.7635 63.0245 176.5349 172 F 4.2348 8.4775 123.2460 61.4338 39.1426 177.1600 173 L 3.9962 8.3766 118.7002 57.9110 41.2810 179.0866 174 H 4.1112 8.3253 118.2775 59.0464 29.7765 177.1810 175 K 3.9096 8.1614 121.4860 59.8828 31.9390 178.8465 176 T 3.7415 7.9936 116.3040 66.4666 68.3497 176.5997 177 R 3.7572 8.0650 120.6950 59.6033 30.1719 178.4115 178 Q 4.1330 8.2924 118.1604 58.9632 28.7127 178.8223 179 F 3.6808 8.6354 121.7720 61.3920 39.4594 177.0993 180 I 3.1421 7.7342 119.5090 64.4107 36.6878 178.3290 181 E 3.7955 8.0507 119.1998 59.2838 29.1630 179.1057 182 C 3.9898 7.8144 116.9196 62.5033 28.0973 176.0756 183 L 3.4569 7.2469 120.4610 57.5514 41.1533 179.2337 184 E 3.8455 7.5622 118.3176 59.6243 29.4180 179.4922 185 S 4.0405 8.0363 113.0308 61.2710 62.2309 176.1134 186 R 3.7264 8.0259 121.6924 59.2894 29.8022 178.5523 187 L 3.6539 7.5082 118.9636 57.6598 41.4792 179.7066 188 S 4.5373 7.8563 115.5192 61.0535 62.7996 176.2831 189 E 4.0622 8.2503 120.9559 58.1610 29.1840 177.8662 190 N 4.8023 7.4408 114.9402 51.7857 38.8855 174.9114 191 G 3.9730 7.9336 107.9035 46.3033 0.0000 174.1563 192 V 3.7665 7.6774 119.8639 62.4819 32.1316 175.6546 193 I 4.2905 8.4592 129.2549 60.7977 38.1980 175.8280 194 S 4.6309 8.9532 121.8369 58.7890 63.6091 174.6619 195 G 4.3209 8.3841 109.1751 45.7675 0.0000 172.0633 196 Q 4.7261 9.1535 124.9016 54.0349 31.2248 175.9992 197 C 4.4902 8.8329 127.4678 58.9045 32.3109 171.6219 198 P 4.4161 0.0000 0.0000 62.7396 31.6428 177.1376 199 E 3.9999 8.8474 120.8920 59.6200 29.4705 178.3215 200 S 4.4430 7.9804 111.5441 59.0105 63.3215 173.3960 201 D 5.1247 7.6531 120.7778 53.2619 42.7825 176.0077 202 V 4.7622 8.4760 112.1855 60.4421 36.1075 174.5318 203 H 5.2355 8.3354 115.8723 54.3930 31.0399 171.7602 204 P 4.4717 0.0000 0.0000 61.6672 32.3476 176.7038 205 E 3.9695 8.6147 119.8322 59.0298 29.4562 177.2279 206 N 4.6537 8.0318 113.3611 52.7890 38.0118 174.4010 207 W 5.0572 8.1687 120.3443 55.5732 30.1224 175.9998 208 K 4.2249 9.1728 123.2451 56.8590 32.8474 176.8353 209 Y 4.8067 8.1669 114.6947 59.2228 40.9185 176.3365 210 L 4.7919 9.2417 118.7700 54.8401 42.6693 176.7879 211 S 5.3944 9.0973 115.1804 57.6892 67.0723 172.1018 212 Y 5.6511 9.3418 122.0094 56.3289 42.2669 174.2589 213 R 4.0844 6.6126 116.9061 55.1448 33.5333 173.2227 214 N 5.6557 8.0989 119.2720 50.5969 40.7650 174.6722 215 E 4.0405 8.9333 125.3801 58.8549 29.7746 178.0362 216 L 4.2027 8.0073 118.1498 55.8967 41.9858 176.1135 217 R 4.5455 7.5561 116.3101 54.6206 34.3630 174.0937 *226 Q 4.1406 8.2548 116.4018 55.9276 29.8021 177.2603 227 R 3.9532 8.3605 120.1884 58.9249 29.8914 179.1336 228 Q 3.9381 8.2068 119.0300 59.1057 29.3256 177.8161 229 A 4.1471 7.7868 121.5295 54.9846 18.3921 179.5653 230 L 4.0158 7.8634 117.1517 58.0477 41.5501 179.6544 231 R 3.9859 7.6271 116.3204 58.3700 30.0324 177.9190 232 E 4.4005 7.8593 116.8595 55.8959 30.5269 176.4389 233 E 4.0938 7.7077 119.9337 56.2093 30.4480 176.3167 234 P 4.2641 0.0000 0.0000 65.4798 31.1943 178.5589 235 F 4.0121 8.3150 118.0699 61.5325 39.4102 175.9428 236 Y 3.9207 7.9694 116.9275 60.8991 38.8051 178.0329 237 R 3.9302 7.9724 120.0448 58.0792 29.9907 178.2052 238 L 4.2947 7.6671 118.8281 55.1430 42.1419 178.2358 *240 T 4.0521 7.9863 110.6975 61.0436 70.7430 173.5766 241 E 4.0920 8.0617 125.7763 56.2963 29.5584 175.6731 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 28 S 8.19 4.47 0.00 4.01 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 29 T 8.31 3.69 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 1.15 0.00 0.00 30 N 8.36 4.45 0.00 2.87 2.84 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.89 3.94 0.00 1.83 1.98 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 32 H 8.04 4.20 0.00 3.30 3.53 0.00 5.65 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 33 L 8.06 4.16 0.00 2.08 1.90 1.29 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.98 3.89 0.00 1.89 1.83 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.66 7.81 35 N 7.96 4.72 0.00 2.75 2.88 0.00 0.00 6.87 7.81 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 36 N 7.82 5.01 0.00 2.75 2.75 0.00 0.00 6.46 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 37 F 8.17 4.35 0.00 3.21 3.13 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 38 N 8.22 4.23 0.00 2.79 2.82 0.00 0.00 6.61 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 39 S 8.01 4.06 0.00 3.90 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 40 L 8.23 3.98 0.00 1.64 1.76 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.69 4.12 0.00 2.93 3.31 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.13 4.44 0.00 2.87 2.84 0.00 0.00 7.17 8.28 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 43 Q 7.81 4.23 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 *45 R 7.93 4.25 0.00 1.82 1.85 0.00 2.89 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 46 K 7.35 4.28 0.00 1.75 1.79 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.28 7.81 *48 P 0.00 4.17 0.00 2.20 2.11 0.00 3.73 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 1.86 1.97 0.00 49 V 8.19 3.85 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 0.71 0.00 0.00 0.90 0.00 0.00 50 S 9.15 4.29 0.00 3.36 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 51 H 8.03 4.61 0.00 2.93 3.04 0.00 5.87 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 52 F 8.23 4.70 0.00 3.06 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 53 K 9.24 4.19 0.00 1.77 1.92 0.00 1.87 0.00 0.00 2.07 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.47 7.81 54 E 8.52 4.35 0.00 2.02 1.88 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 2.33 2.52 0.00 55 A 8.68 4.54 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 56 L 8.39 4.35 0.00 1.63 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.81 4.63 0.00 2.62 2.78 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 58 V 6.96 4.24 1.51 0.00 0.00 0.00 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 0.91 0.00 0.00 59 P 0.00 4.52 0.00 2.17 2.01 0.00 3.39 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 60 D 8.30 5.02 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.04 3.91 0.00 3.13 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 62 S 8.27 3.97 0.00 3.99 4.02 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 63 G 8.06 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 *65 R 7.99 4.08 0.00 1.75 1.83 0.00 3.25 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.00 *68 G 8.65 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.05 4.43 0.00 1.80 1.81 0.00 3.36 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 149 V 7.94 4.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00 150 S 8.17 4.53 0.00 3.74 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 0.00 151 L 7.95 4.48 0.00 1.76 1.70 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.31 4.40 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 0.00 153 A 8.69 3.96 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 0.00 154 Q 8.17 4.25 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 155 F 8.15 5.45 0.00 2.84 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 0.00 156 T 9.00 5.06 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 0.59 0.00 0.00 157 L 9.14 5.03 0.00 1.76 1.76 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 8.92 4.87 0.00 3.06 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 0.00 159 I 8.76 5.01 2.18 0.00 0.00 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 1.39 1.33 1.50 0.00 0.00 160 K 8.93 4.88 0.00 1.88 1.72 0.00 2.00 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.53 7.81 161 P 0.00 3.85 0.00 1.77 1.37 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.58 0.00 162 D 8.16 4.08 0.00 2.48 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 7.53 4.41 0.00 2.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 164 E 8.64 3.89 0.00 2.04 1.95 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 2.26 2.22 0.00 165 N 8.03 4.55 0.00 2.82 2.87 0.00 0.00 6.08 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 0.00 166 S 7.89 3.73 0.00 3.99 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 Q 7.94 4.47 0.00 2.24 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.01 0.00 0.00 0.00 0.00 0.00 2.17 2.50 0.00 168 Y 8.48 4.63 0.00 3.21 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 0.00 169 S 9.02 4.85 0.00 4.18 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 0.00 170 A 8.55 4.10 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 0.00 171 S 8.13 4.13 0.00 4.00 4.02 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 0.00 172 F 8.48 4.23 0.00 3.42 3.42 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 0.00 173 L 8.38 4.00 0.00 1.79 1.64 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.33 4.11 0.00 3.31 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.16 3.91 0.00 2.04 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.45 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.58 7.81 176 T 7.99 3.74 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 1.40 0.00 0.00 177 R 8.06 3.76 0.00 1.84 2.00 0.00 3.22 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 178 Q 8.29 4.13 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 179 F 8.64 3.68 0.00 2.91 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 0.00 180 I 7.73 3.14 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.36 -0.09 0.00 0.00 181 E 8.05 3.80 0.00 2.07 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 2.31 2.48 0.00 182 C 7.81 3.99 0.00 2.78 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 0.00 183 L 7.25 3.46 0.00 1.34 1.16 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.56 3.85 0.00 1.98 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 1.95 2.05 0.00 185 S 8.04 4.04 0.00 3.81 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 0.00 186 R 8.03 3.73 0.00 1.82 1.75 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 187 L 7.51 3.65 0.00 0.85 0.42 0.17 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.86 4.54 0.00 4.16 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.25 4.06 0.00 2.09 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 2.48 2.45 0.00 190 N 7.44 4.80 0.00 2.77 2.75 0.00 0.00 6.94 7.52 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 0.00 191 G 7.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.68 3.77 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 0.69 0.00 0.00 0.82 0.00 0.00 193 I 8.46 4.29 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.94 0.00 0.00 194 S 8.95 4.63 0.00 3.85 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 8.38 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 0.00 0.00 0.00 0.00 196 Q 9.15 4.73 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 197 C 8.83 4.49 0.00 3.06 2.90 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 0.00 198 P 0.00 4.42 0.00 2.44 1.97 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 199 E 8.85 4.00 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 200 S 7.98 4.44 0.00 3.86 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 0.00 201 D 7.65 5.12 0.00 2.81 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 0.00 202 V 8.48 4.76 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 0.67 0.00 0.00 0.45 0.00 0.00 203 H 8.34 5.24 0.00 3.47 3.59 0.00 5.72 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 0.00 204 P 0.00 4.47 0.00 2.15 1.79 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.00 205 E 8.61 3.97 0.00 1.93 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 2.30 2.25 0.00 206 N 8.03 4.65 0.00 2.94 2.92 0.00 0.00 5.95 8.88 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 0.00 207 W 8.17 5.06 0.00 3.48 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 0.00 208 K 9.17 4.22 0.00 0.80 1.22 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.35 7.81 209 Y 8.17 4.81 0.00 2.82 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 0.00 210 L 9.24 4.79 0.00 0.95 1.02 0.60 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 211 S 9.10 5.39 0.00 4.13 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 0.00 212 Y 9.34 5.65 0.00 3.70 3.17 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 0.00 213 R 6.61 4.08 0.00 1.62 1.91 0.00 3.00 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 214 N 8.10 5.66 0.00 2.64 2.60 0.00 0.00 7.43 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 0.00 215 E 8.93 4.04 0.00 2.16 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 0.00 2.37 2.38 0.00 216 L 8.01 4.20 0.00 1.69 1.67 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.56 4.55 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 *226 Q 8.25 4.14 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 227 R 8.36 3.95 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 228 Q 8.21 3.94 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 229 A 7.79 4.15 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 0.00 230 L 7.86 4.02 0.00 1.80 1.66 0.84 0.97 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 0.00 231 R 7.63 3.99 0.00 1.91 2.09 0.00 3.15 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 232 E 7.86 4.40 0.00 2.12 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 2.48 2.48 0.00 233 E 7.71 4.09 0.00 2.35 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 0.00 2.67 2.69 0.00 234 P 0.00 4.26 0.00 2.25 1.97 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 235 F 8.31 4.01 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 Y 7.97 3.92 0.00 2.47 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 7.97 3.93 0.00 2.17 2.16 0.00 3.37 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 238 L 7.67 4.29 0.00 1.61 1.56 1.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *240 T 7.99 4.05 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 241 E 8.06 4.09 0.00 1.92 1.76 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 2.17 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.