NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 F 4.6177 8.3244 122.8278 58.0579 40.6502 174.0280 40 D 4.4191 7.4910 127.4062 50.0090 41.2802 173.9827 41 P 4.3030 0.0000 0.0000 62.9977 32.7459 178.4170 *43 R 4.1070 8.2002 119.9411 57.7036 32.0006 176.3675 44 Y 3.9216 7.9200 117.9743 60.7673 38.6959 178.0180 45 A 4.1305 8.4854 121.9221 55.1339 18.3550 179.8742 46 R 3.6279 7.8061 116.1875 59.3525 29.9645 178.9242 47 E 3.8889 7.7774 117.1345 59.3860 29.5010 179.0989 48 L 4.1593 7.7656 118.0035 57.4022 41.9426 179.1398 49 W 4.6333 8.0750 128.4054 60.4439 30.7663 178.6475 50 F 4.3165 7.7117 115.2842 58.3578 38.4020 176.8291 *52 L 4.2235 7.8202 121.9838 55.2401 43.5680 177.9294 53 Q 3.8209 7.9951 116.7309 58.9713 29.2329 177.6322 54 D 4.5421 7.5968 118.5392 54.5389 38.1051 176.1591 *57 N 4.5476 7.9759 118.1871 53.1019 40.8535 175.9745 58 E 3.9173 7.8382 115.1538 56.7343 29.8656 177.3421 59 G 3.8893 8.8688 107.0616 45.8609 0.0000 172.9337 60 L 4.3837 8.1150 126.3618 54.1209 45.1892 176.0824 61 G 3.9666 8.7393 112.8783 45.8558 0.0000 172.6899 62 Y 4.3256 8.4972 119.6306 56.2788 39.4468 174.7042 63 D 4.6966 8.7433 120.5948 54.7536 42.0489 176.8020 64 A 4.1049 9.0413 130.0538 55.5071 18.4118 179.5136 65 V 3.5480 7.7741 115.8877 66.1584 31.6269 177.6298 66 E 3.9798 8.3024 118.2451 59.5484 29.2866 179.5511 67 V 3.1456 7.5175 117.7480 65.9611 31.6004 178.0223 68 L 4.0435 8.0641 118.6105 57.9600 41.4814 179.2179 69 N 4.3962 8.5395 116.7241 56.7893 38.4407 177.6388 70 T 4.0152 8.3818 117.2991 66.6135 68.3471 176.8272 71 L 4.1153 8.1613 120.3858 57.9155 41.6627 179.0281 72 D 4.5673 8.1093 118.1981 57.1663 40.8439 178.2164 73 E 4.3461 8.0820 118.3128 58.2571 31.1475 177.1701 74 N 4.9096 8.4845 115.5589 50.7991 41.1933 172.3585 75 P 4.2253 0.0000 0.0000 65.3457 31.8159 177.6431 76 E 4.0415 8.1302 116.7833 59.2289 29.2281 178.9394 77 L 3.8980 7.6991 119.2698 57.9291 42.2213 178.4870 78 A 4.2665 7.9887 119.7697 55.6125 18.6762 178.8857 79 H 4.6083 8.3831 116.2518 58.6045 28.5936 178.1759 80 Q 3.8452 7.6449 113.7797 57.2866 28.2417 177.3982 *82 F 4.3098 7.9591 118.7437 56.6775 41.3454 174.9901 83 A 4.8480 7.2333 123.7600 49.8036 20.2673 175.8307 *85 V 3.9887 8.0552 113.4548 63.1627 32.6276 175.9913 86 V 4.4986 8.1635 124.3351 62.3802 35.3424 175.6381 87 G 3.9614 8.1546 114.7453 46.8843 0.0000 175.0682 88 V 4.4302 8.2933 118.4747 61.8456 31.3852 174.3851 89 S 4.7773 7.7200 115.6363 57.5049 64.8853 174.7816 90 N 4.5597 8.3213 117.4687 53.9934 38.8622 175.2418 91 Y 4.6383 7.5028 115.9648 57.2448 39.6373 174.9606 92 R 4.4808 9.4293 121.9626 54.5822 33.6506 174.0908 93 Y 5.1099 8.3765 121.0808 56.4933 40.4514 174.1480 94 Y 4.8303 9.0169 121.9108 56.0580 41.5595 174.6647 95 I 4.9998 8.5375 123.3634 59.5191 40.4646 174.5196 96 I 5.4640 9.2545 120.5059 59.1484 41.2294 174.3695 97 Q 4.7136 9.3144 121.1608 54.5679 32.3693 175.3838 98 G 3.3612 6.2138 106.4722 45.6565 0.0000 171.1388 99 V 4.7787 8.3670 118.7419 61.0654 34.0191 176.0762 100 G 4.4855 9.5978 114.1205 44.4979 0.0000 170.5528 101 E 5.1686 8.5189 120.7676 54.2055 31.9441 175.0087 102 I 4.0423 8.8908 128.7231 61.8926 37.5262 176.6791 103 V 3.8596 8.9091 127.6588 64.3413 32.9525 175.7251 104 E 4.7688 7.9278 119.2496 55.0337 32.9669 174.3802 105 I 4.6217 8.2664 126.3353 60.0524 39.3491 175.2252 *107 D 4.6831 8.5927 122.4725 53.8787 42.6399 176.5268 108 D 4.9267 8.7720 115.8987 51.5940 39.9575 175.7625 109 G 4.4368 7.0272 105.0150 46.9062 0.0000 171.6478 110 I 5.1226 7.8613 112.4180 59.1216 41.1393 174.4993 111 L 5.0416 8.9795 125.2115 54.1838 43.5212 175.9805 112 V 4.7584 8.3025 123.1602 60.8878 34.5571 175.1381 *114 V 4.2592 8.5764 116.5338 62.6910 33.2389 176.9289 115 R 4.7070 8.2876 117.3420 54.2656 33.3447 174.7314 116 E 4.2962 8.4320 119.3468 56.1693 30.6903 176.1826 117 N 4.8454 8.5051 113.6189 54.5656 36.7716 175.6918 118 R 4.3424 7.0131 119.2539 55.7245 30.3742 176.2264 *120 V 3.8928 8.0209 116.1438 61.2494 32.7530 173.3984 121 P 4.4205 0.0000 0.0000 62.9453 32.0529 177.5306 122 D 4.5308 8.7147 120.7660 56.8945 42.0174 176.4206 123 L 5.1482 8.1398 117.2288 52.7555 46.1444 175.8962 124 F 5.2989 9.4136 125.9441 56.7085 41.1224 174.5587 125 L 4.7746 8.8480 128.8237 53.7803 42.1096 176.2659 126 S 4.9126 7.9368 117.8857 55.8775 66.0764 173.7276 127 N 4.5902 8.6125 115.9372 53.1635 37.2210 176.1033 128 H 4.4616 7.6993 120.3733 55.2542 27.9948 172.5946 129 I 4.2727 6.8893 120.8921 58.8017 38.7270 174.9526 130 F 4.7249 8.0929 122.7094 56.6146 43.4355 176.8667 131 G 3.8871 8.8903 109.2485 45.5060 0.0000 173.9136 132 N 4.8715 8.5899 120.2952 52.7604 39.9274 176.2140 133 G 3.7997 8.2912 107.8100 48.1307 0.0000 176.1431 134 I 3.7381 7.5748 121.2976 64.3996 37.3652 178.8759 135 V 3.6934 7.6018 112.7216 64.3415 31.1837 178.3411 136 N 4.1558 8.0614 115.7408 55.9503 38.3642 177.0847 137 A 4.1004 7.5666 121.5490 55.0240 18.5858 179.1429 138 T 4.2497 7.7757 106.5149 61.7051 70.0192 176.2355 139 G 3.9576 8.1332 109.2856 45.7743 0.0000 175.3736 140 I 3.5950 7.5710 114.6637 62.8135 37.8679 175.9293 141 A 4.9623 7.2264 120.5009 50.6309 22.0075 175.4903 *144 E 4.3692 8.5714 118.0114 56.5474 31.4105 177.9787 145 D 4.1633 8.2181 116.3188 55.4735 41.1557 175.9459 146 F 4.7316 7.3122 117.6358 55.2611 41.6787 175.2954 147 D 4.5263 8.5416 122.9311 55.2150 39.6820 177.2922 148 R 4.7484 7.6976 119.9758 54.0853 35.1239 176.8550 149 I 3.7226 8.1796 122.5636 65.2201 35.4766 178.8284 150 I 3.9110 7.6626 119.2961 63.9720 37.7995 177.6379 151 D 4.1644 7.8179 119.5246 57.0050 40.5102 178.1224 152 F 2.5785 7.2505 120.2912 60.9463 39.3193 176.9093 153 N 4.1325 8.0422 115.8330 56.3537 38.3921 177.4900 154 L 3.9683 8.0871 120.6003 57.9209 41.5629 179.7766 155 T 3.8312 7.7700 115.4904 66.4779 68.3978 176.3903 156 A 3.7373 7.6218 122.7954 55.5072 18.1122 179.6625 157 T 3.7241 7.5369 112.6587 67.0178 68.6042 176.3914 158 E 4.0212 7.9833 119.1534 59.0755 29.7321 178.8546 159 L 4.0051 8.1429 120.8492 57.8949 41.9150 179.7413 160 N 4.1058 7.7015 114.0044 53.4479 38.8640 176.2881 *162 I 3.9149 7.7301 122.2609 61.4923 39.0933 179.4620 163 V 3.4229 7.0078 117.4974 63.1898 30.7192 177.5087 *165 E 4.1857 8.3579 119.0800 55.6402 30.9739 177.3833 166 E 4.4713 8.4140 114.9565 56.5470 30.1888 176.8448 167 V 4.1954 7.3301 116.5167 64.6950 33.1633 177.3084 168 V 3.7144 7.7281 117.6216 66.0861 31.3913 177.9176 169 N 4.3809 8.0001 115.2187 56.2043 38.5582 177.0869 170 S 4.2681 7.6904 114.8375 61.4962 63.3101 176.1563 171 F 4.2866 8.0731 124.2820 60.6833 39.0650 178.0262 172 L 4.0353 8.0175 116.7236 55.3039 41.3436 179.0304 *174 Q 4.2300 8.1234 120.3730 55.9436 30.7925 177.7142 175 L 3.8166 7.5555 117.1067 57.9158 41.6010 180.2583 176 S 4.1764 7.5117 113.5007 58.5402 61.7036 175.3201 *178 G 3.8166 8.1690 106.6804 44.9539 0.0000 174.5894 179 A 3.9922 8.2256 124.4919 54.7585 18.4467 177.8777 180 G 3.9809 7.4552 102.1328 46.0796 0.0000 171.1729 181 S 4.4582 8.0154 112.0659 57.1143 65.6537 173.7096 182 V 3.7795 8.2488 119.9398 65.0745 31.3024 176.0781 183 G 4.1823 9.4657 116.6283 45.5145 0.0000 173.9225 184 S 4.5155 8.1553 114.6228 58.1404 64.7924 173.3546 185 L 5.2185 8.4488 120.9916 53.7353 43.7933 175.9695 186 V 4.8946 9.2183 122.2974 59.8605 34.5905 174.7358 187 R 4.7294 9.1822 127.2628 56.0956 31.2964 175.1103 188 F 6.2938 8.6477 119.9484 54.4707 42.2914 173.3051 189 I 5.2259 8.7012 119.6463 59.7425 40.5110 174.3515 190 A 5.2980 9.6986 127.7803 50.4983 23.2950 174.6824 191 V 5.1785 9.0093 119.6930 61.2691 34.7379 174.5835 192 F 5.4422 8.9669 120.5134 55.9112 41.8340 172.9696 193 T 5.1504 8.8667 115.9954 61.8934 70.8556 173.5631 194 L 5.0615 9.3694 125.5507 51.8440 45.8228 176.7444 195 L 4.6315 8.4204 124.6020 55.1567 40.3008 178.7974 *197 D 4.6484 8.7697 116.4571 53.1539 42.2871 174.9368 198 E 4.2473 8.0714 118.4058 55.2092 30.4891 176.5477 199 E 4.0237 8.5246 120.0906 56.1932 30.2270 176.9816 200 I 3.7440 7.9274 123.4278 61.0615 38.1767 174.5140 *202 Y 4.4408 7.9140 117.7379 57.2491 38.6768 173.7108 203 P 4.9521 0.0000 0.0000 62.1742 32.5524 176.2149 204 I 3.7813 8.5425 124.8411 61.0417 38.1638 174.7364 205 E 4.8125 8.8056 128.5880 55.7303 30.3761 175.3380 206 A 5.0859 8.7893 127.9443 50.1872 23.3051 174.6565 207 I 4.4760 8.8138 122.0056 59.5493 38.5487 173.4960 208 P 4.9741 0.0000 0.0000 62.6745 31.5666 176.2010 209 L 4.6854 9.2958 124.0557 55.8831 43.1691 176.3393 210 Y 4.8376 7.8250 119.8529 56.2134 42.4432 173.6295 211 L 4.8276 7.5824 125.7745 53.3684 45.4183 175.2545 212 E 4.8204 8.7745 122.7062 54.5225 34.4747 174.9439 213 I 4.3829 8.6595 124.4553 61.6831 38.0285 176.1015 214 Q 4.3003 8.7913 125.0033 56.2002 28.2973 175.8802 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 39 F 8.32 4.62 0.00 3.02 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.49 4.42 0.00 2.64 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.30 0.00 2.30 2.48 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 *43 R 8.20 4.11 0.00 1.84 2.04 0.00 3.16 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 44 Y 7.92 3.92 0.00 3.11 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 45 A 8.49 4.13 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 46 R 7.81 3.63 0.00 1.87 1.55 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 47 E 7.78 3.89 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 48 L 7.77 4.16 0.00 1.90 1.85 1.29 0.98 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 49 W 8.07 4.63 0.00 3.32 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 50 F 7.71 4.32 0.00 3.19 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 *52 L 7.82 4.22 0.00 1.83 1.90 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.00 3.82 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.19 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 54 D 7.60 4.54 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 N 7.98 4.55 0.00 2.85 2.83 0.00 0.00 7.28 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.84 3.92 0.00 1.93 1.94 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 2.51 2.35 0.00 59 G 8.87 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 0.00 0.00 0.00 60 L 8.12 4.38 0.00 1.46 1.41 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.74 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 62 Y 8.50 4.33 0.00 2.94 2.70 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 63 D 8.74 4.70 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.04 4.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.77 3.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 66 E 8.30 3.98 0.00 2.18 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 2.38 2.56 0.00 67 V 7.52 3.15 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 1.17 0.00 0.00 0.18 0.00 0.00 68 L 8.06 4.04 0.00 1.93 1.79 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.54 4.40 0.00 2.96 2.92 0.00 0.00 7.07 7.16 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 70 T 8.38 4.02 4.68 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 1.35 0.00 0.00 71 L 8.16 4.12 0.00 1.82 1.73 0.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.11 4.57 0.00 2.87 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 73 E 8.08 4.35 0.00 2.36 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 2.33 2.18 0.00 74 N 8.48 4.91 0.00 2.66 2.66 0.00 0.00 7.21 7.36 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 75 P 0.00 4.23 0.00 2.21 2.09 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 76 E 8.13 4.04 0.00 2.00 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 2.45 2.33 0.00 77 L 7.70 3.90 0.00 1.57 1.96 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.99 4.27 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 79 H 8.38 4.61 0.00 3.33 3.34 0.00 5.64 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 80 Q 7.64 3.85 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 *82 F 7.96 4.31 0.00 3.31 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 83 A 7.23 4.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 V 8.06 3.99 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 0.83 0.00 0.00 0.92 0.00 0.00 86 V 8.16 4.50 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 0.99 0.00 0.00 0.93 0.00 0.00 87 G 8.15 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.29 4.43 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 0.88 0.00 0.00 0.94 0.00 0.00 89 S 7.72 4.78 0.00 4.04 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 90 N 8.32 4.56 0.00 2.29 2.62 0.00 0.00 6.93 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.50 4.64 0.00 2.57 2.37 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 92 R 9.43 4.48 0.00 1.63 1.64 0.00 3.14 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 93 Y 8.38 5.11 0.00 2.87 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 94 Y 9.02 4.83 0.00 1.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.54 5.00 1.95 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 1.47 1.09 0.98 0.00 0.00 96 I 9.25 5.46 2.10 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 1.69 1.75 1.18 0.00 0.00 97 Q 9.31 4.71 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 98 G 6.21 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.37 4.78 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 1.00 0.00 0.00 0.90 0.00 0.00 100 G 9.60 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.52 5.17 0.00 2.10 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 2.33 2.54 0.00 102 I 8.89 4.04 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.99 0.00 0.00 103 V 8.91 3.86 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 104 E 7.93 4.77 0.00 2.04 1.71 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 2.29 2.34 0.00 105 I 8.27 4.62 1.89 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 1.39 0.77 0.93 0.00 0.00 *107 D 8.59 4.68 0.00 2.74 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 0.00 108 D 8.77 4.93 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.03 4.44 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 0.00 110 I 7.86 5.12 1.99 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 1.42 1.05 1.08 0.00 0.00 111 L 8.98 5.04 0.00 1.64 1.64 0.87 0.82 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 0.00 112 V 8.30 4.76 1.97 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 1.25 0.00 0.00 0.93 0.00 0.00 *114 V 8.58 4.26 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 0.97 0.00 0.00 1.05 0.00 0.00 115 R 8.29 4.71 0.00 1.73 1.73 0.00 3.17 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 116 E 8.43 4.30 0.00 1.98 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 2.37 2.27 0.00 117 N 8.51 4.85 0.00 2.83 2.87 0.00 0.00 6.86 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.01 4.34 0.00 1.52 1.70 0.00 3.19 0.00 0.00 3.13 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 *120 V 8.02 3.89 2.07 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 0.70 0.00 0.00 0.98 0.00 0.00 121 P 0.00 4.42 0.00 2.18 1.97 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 122 D 8.71 4.53 0.00 2.59 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.14 5.15 0.00 1.40 1.32 0.52 0.81 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 0.00 124 F 9.41 5.30 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.85 4.77 0.00 1.49 1.45 0.56 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.94 4.91 0.00 3.48 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 0.00 127 N 8.61 4.59 0.00 2.75 2.90 0.00 0.00 6.93 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 7.70 4.46 0.00 3.24 3.46 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 6.89 4.27 1.56 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 1.30 0.64 0.80 0.00 0.00 130 F 8.09 4.72 0.00 2.92 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 0.00 131 G 8.89 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 0.00 0.00 0.00 132 N 8.59 4.87 0.00 2.78 2.87 0.00 0.00 6.73 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.29 3.80 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 152 F 7.25 2.58 0.00 2.56 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 0.00 153 N 8.04 4.13 0.00 2.88 2.81 0.00 0.00 7.12 6.36 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 0.00 154 L 8.09 3.97 0.00 1.75 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 T 7.77 3.83 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 1.39 0.00 0.00 156 A 7.62 3.74 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 0.00 157 T 7.54 3.72 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 1.17 0.00 0.00 158 E 7.98 4.02 0.00 2.03 1.94 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 2.53 2.32 0.00 159 L 8.14 4.01 0.00 1.69 1.70 1.01 0.86 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 0.00 160 N 7.70 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.02 4.46 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.25 3.78 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 0.85 0.00 0.00 0.98 0.00 0.00 183 G 9.47 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 0.00 0.00 0.00 0.00 184 S 8.16 4.52 0.00 3.96 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 0.00 185 L 8.45 5.22 0.00 1.68 1.67 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 186 V 9.22 4.89 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.90 0.00 0.00 187 R 9.18 4.73 0.00 1.99 2.03 0.00 2.99 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 188 F 8.65 6.29 0.00 3.17 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 0.00 189 I 8.70 5.23 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.97 0.00 0.00 190 A 9.70 5.30 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 0.00 191 V 9.01 5.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.02 0.00 0.00 192 F 8.97 5.44 0.00 3.14 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 0.00 193 T 8.87 5.15 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 194 L 9.37 5.06 0.00 1.82 1.70 1.04 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.42 4.63 0.00 1.70 0.71 0.14 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *197 D 8.77 4.65 0.00 2.97 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 0.00 198 E 8.07 4.25 0.00 2.35 1.94 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 2.30 2.11 0.00 199 E 8.52 4.02 0.00 2.35 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 2.27 1.90 0.00 200 I 7.93 3.74 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.23 0.00 0.00 *202 Y 7.91 4.44 0.00 2.96 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 0.00 203 P 0.00 4.95 0.00 1.99 2.11 0.00 3.71 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 204 I 8.54 3.78 1.51 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.18 0.19 0.00 0.00 205 E 8.81 4.81 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 206 A 8.79 5.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 I 8.81 4.48 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.89 0.00 0.00 208 P 0.00 4.97 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 209 L 9.30 4.69 0.00 1.76 1.99 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.82 4.84 0.00 3.10 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 0.00 211 L 7.58 4.83 0.00 0.96 0.18 0.55 0.48 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 0.00 212 E 8.77 4.82 0.00 1.85 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 1.47 2.22 0.00 213 I 8.66 4.38 1.97 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 1.44 0.73 1.02 0.00 0.00 214 Q 8.79 4.30 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.