NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.6010 0.0000 0.0000 62.6994 33.4642 178.4251 9 E 3.7178 8.2408 117.5034 58.2284 29.2168 177.3460 10 W 4.3868 9.3673 129.4230 60.8501 30.6192 177.1962 11 I 2.3714 7.5139 118.7663 64.1562 36.5631 178.0273 12 W 3.7136 8.7215 118.6622 59.6705 29.0187 178.1427 13 L 3.9553 7.7764 119.6924 58.1512 41.3242 178.8373 14 A 3.9877 7.7750 120.6402 55.0319 17.7428 178.8968 15 L 3.9223 7.2897 118.5929 58.5235 41.9085 179.0777 16 G 4.0708 8.1163 105.1127 48.5386 0.0000 174.9176 17 T 4.0426 8.3213 115.7391 64.6631 67.1288 175.4557 18 A 3.8871 7.6642 122.3639 55.3444 18.4585 179.2740 19 L 3.8709 7.5169 117.4148 58.4514 42.0196 178.7208 20 M 4.0838 7.8091 118.1358 58.6483 32.1725 178.2646 21 G 3.2745 7.6227 105.5674 47.5957 0.0000 174.8329 22 L 4.0258 7.5418 123.3178 58.0378 41.8973 178.9750 23 G 4.1204 7.9287 104.7440 48.4890 0.0000 175.0750 24 T 3.9995 7.8833 116.0517 64.7740 67.3995 175.6509 25 L 4.0319 8.1133 120.6416 58.3243 41.6302 178.4810 26 Y 4.2751 8.7298 119.1655 61.2048 38.5541 178.2951 27 F 3.3900 8.3717 118.2470 60.5347 39.1469 176.9902 28 L 4.2931 8.1762 119.5046 58.6496 41.5417 178.7565 29 V 3.4905 8.0965 117.6031 66.2593 31.5139 177.4577 30 K 3.9972 8.5538 119.3860 59.7799 32.0601 178.4455 31 G 3.7094 8.7378 105.3228 47.8359 0.0000 174.6088 32 M 3.8852 7.6682 119.8856 58.2559 32.2877 176.3985 *33 G 3.7993 7.7896 107.5883 45.5741 0.0000 171.5945 *38 D 4.6737 8.3581 119.6592 54.5008 42.7358 177.2310 39 A 4.3300 8.2412 120.1371 55.2576 18.4568 179.1121 40 K 3.8551 8.2457 117.4585 59.8595 32.0321 178.7364 41 K 3.6929 7.6469 118.4513 59.4172 31.9351 179.1099 42 F 4.1695 7.6969 117.5526 60.6744 38.8772 176.7870 43 Y 4.1009 7.6768 116.6739 60.4116 37.4219 178.2253 44 A 3.0614 6.0818 120.8401 54.3615 18.3686 179.4085 45 I 3.4307 7.0599 117.4709 64.8723 36.9515 178.6690 46 T 3.6355 8.0291 114.0035 65.2806 66.6993 176.0396 47 T 3.8245 7.9740 115.4997 64.8911 67.3592 175.8209 48 L 3.8984 8.0846 122.9703 57.9188 42.0054 179.4266 49 V 3.5954 7.3020 117.6082 64.4665 31.3540 176.6384 50 P 4.2701 0.0000 0.0000 64.6816 31.1954 178.3943 51 A 4.0950 7.7349 119.1116 55.3185 18.3755 179.6446 52 I 3.5230 7.7368 117.9117 64.4528 37.1290 178.3853 53 A 4.1601 8.5193 121.8608 55.2263 18.1543 179.3049 54 F 4.4252 8.8443 119.4334 61.8664 39.4362 177.1006 55 T 3.8017 7.7485 112.7013 65.5576 67.0440 175.6930 56 M 4.1316 8.2959 120.0134 58.6277 31.7727 177.6060 57 Y 4.0968 9.0994 118.1208 61.2830 38.0795 178.6559 58 L 4.1462 9.0077 121.4488 57.9198 41.9417 178.7123 59 S 4.1435 8.1803 112.9502 61.6460 62.3901 175.5813 60 M 4.0991 8.1128 119.6470 58.4904 32.0545 177.5815 61 L 4.1498 7.5619 118.7226 58.2193 42.4090 178.4311 62 L 4.1043 8.1381 119.4282 57.7906 42.1547 176.7716 *63 G 3.8076 7.8061 108.6627 45.2989 0.0000 171.5778 *74 E 4.3382 8.5706 118.3829 56.4174 30.1700 177.1434 75 Q 3.9425 7.8597 117.7067 58.6308 28.7736 177.2266 76 N 3.8750 7.7770 114.6663 55.7800 38.9794 174.3599 77 P 2.0000 0.0000 0.0000 65.0552 31.5321 178.1068 78 I 3.4460 7.4618 118.2683 64.6520 37.1761 177.4676 79 Y 3.6100 7.2635 116.7647 60.9365 37.5656 178.7802 80 W 4.9145 8.1482 116.3240 60.0483 28.0069 177.4555 81 A 4.1892 7.2399 121.6518 55.0743 17.7460 179.3830 82 R 3.3809 7.6027 115.3963 59.6622 29.8744 178.2693 83 Y 4.2465 6.5577 114.1313 61.3000 38.0430 178.5182 84 A 4.2601 8.8374 121.8799 55.3899 18.4898 179.1057 85 D 4.5697 8.6265 117.4153 56.7184 39.3188 178.5191 86 W 4.5257 8.7592 121.3519 60.1898 28.9332 177.4844 87 L 4.3911 8.7018 118.7576 58.6581 41.6009 178.5219 88 F 4.5934 8.0787 115.9569 61.3350 39.3626 177.9880 89 T 3.9971 8.6879 112.6836 65.3108 67.0785 175.9616 90 T 4.1362 8.2971 118.3406 66.2811 68.3174 174.5052 91 P 4.3193 0.0000 0.0000 65.9778 31.2952 177.9146 92 L 3.9610 7.5292 118.2188 57.6350 41.6097 179.3178 93 L 3.7902 8.5730 118.6834 57.9419 41.6649 179.5831 94 L 3.9455 8.5070 120.2435 57.9220 41.6477 178.6079 95 L 3.8565 9.4219 120.2992 58.2105 41.8584 178.0088 96 D 4.3862 8.5869 118.3423 57.5456 40.8093 178.2136 97 L 3.9667 7.7821 118.6629 58.3784 42.2226 178.6313 98 A 3.9814 8.1893 119.5849 54.5970 18.3272 178.1224 99 L 3.9508 8.7763 119.7193 58.5005 42.0380 178.4432 100 L 4.4588 7.4969 119.7177 56.2335 41.7888 177.4986 *101 V 3.9996 7.7884 117.4108 60.0649 33.5673 177.8127 *106 G 4.0314 8.1994 109.1904 46.3100 0.0000 176.2878 107 T 3.4777 7.1477 114.4483 66.1210 68.2562 175.3039 108 I 3.6031 7.6905 121.2081 65.1829 37.3673 178.0668 109 L 4.1739 7.9005 118.3328 57.7133 41.5124 179.0292 110 A 4.0646 8.0088 123.1801 56.1082 18.3773 180.0073 111 L 3.9524 7.3632 119.7261 59.9854 40.9369 181.8605 112 V 3.9084 7.4248 119.7542 65.4358 31.3371 178.0905 113 G 3.6765 7.9816 104.9245 47.9400 0.0000 174.9071 114 A 4.1225 7.7175 123.5351 55.0165 18.3630 179.0092 115 D 4.2267 8.0026 115.6070 57.5043 41.2477 178.9166 116 G 3.4937 8.4923 106.3210 47.8057 0.0000 175.3356 117 I 3.4526 8.2349 123.1079 64.4031 37.2040 177.9354 118 M 3.8984 8.4323 119.3991 58.7770 32.0471 178.8479 119 I 3.2281 7.7287 118.3028 63.6976 38.0652 177.6967 120 G 3.3860 7.5967 106.8571 48.2637 0.0000 175.0021 121 T 3.7517 7.1623 112.2932 64.5109 68.4575 176.1586 122 G 3.9753 7.7002 108.3860 46.9277 0.0000 175.2039 123 L 4.1665 7.4539 122.7499 57.7292 41.9393 178.8102 124 V 3.6689 7.9821 117.3382 66.6260 31.4682 177.5412 125 G 3.9370 8.9871 104.5115 48.4482 0.0000 174.8176 126 A 4.2876 8.4908 124.0908 53.6468 18.9091 179.0873 127 L 3.8747 7.7875 119.0429 58.6909 42.0191 178.0097 *128 T 4.2286 7.5843 110.7859 60.4893 70.0473 174.9179 *137 W 4.8265 8.2227 121.6879 56.6295 31.3332 176.9369 138 W 4.8376 8.8329 128.1226 59.8618 29.6003 177.3058 139 A 3.3902 8.0161 120.0393 55.3773 17.6881 179.3216 140 I 3.5102 7.3444 115.4142 64.0093 38.0108 177.9906 141 S 4.1044 7.9133 116.1745 62.2477 62.7595 176.9350 142 T 3.7500 7.3532 117.1724 66.3358 67.9384 176.1754 143 A 3.8486 7.4179 122.3783 55.2630 18.5584 179.4414 144 A 4.0830 8.1727 119.2091 55.5816 18.4516 179.3957 145 M 4.1104 8.3834 116.9342 58.8275 32.0040 178.1040 146 L 4.0470 7.9918 120.3896 58.2997 42.2198 178.0396 147 Y 4.8168 7.8669 119.3586 61.1947 38.6635 178.1567 148 I 3.6320 7.8592 120.0438 64.3868 37.3692 178.0316 149 L 3.8308 8.1348 120.8095 58.5154 41.9801 178.4609 150 Y 4.3540 9.3140 120.3110 60.7023 38.5903 178.0519 151 V 3.3448 8.3520 119.6808 65.7047 31.6257 177.6848 152 L 4.2767 8.0629 118.9120 58.0674 41.6923 179.1803 153 F 4.6024 8.0763 117.2219 61.0471 38.7487 177.7301 154 F 4.6481 8.2522 118.4095 61.6033 39.3116 176.6959 155 G 3.8574 8.8917 104.9363 48.3984 0.0000 174.9455 156 F 4.4912 8.3512 123.0242 60.8910 39.6735 176.4334 157 T 3.2930 7.2335 115.3221 67.2086 68.5434 174.7164 *158 S 4.3594 7.7557 117.7132 57.8052 64.1780 175.0493 *166 E 4.3625 8.2398 118.7451 56.3121 31.6812 178.4154 167 V 3.0865 7.6989 112.7231 64.0453 31.5027 177.7168 168 A 4.0918 7.8497 119.8932 55.4760 18.1484 178.9276 169 S 3.9690 8.0455 110.7212 62.2991 62.2754 175.9866 170 T 3.6932 7.7490 117.8107 67.2170 68.1487 176.2987 171 F 4.2443 7.1590 118.9398 60.4448 38.5846 177.2815 172 K 4.0409 7.6534 119.7352 59.7704 31.8803 178.9047 173 V 3.6544 8.1237 120.6022 64.1496 31.2651 177.5703 174 L 3.6719 8.2942 121.7358 57.8141 41.8454 178.7990 175 R 3.7871 8.2178 116.1931 59.6170 28.9640 178.3208 176 N 4.2316 7.6540 117.9032 55.1441 37.2908 176.8895 177 V 3.4902 7.8849 121.1399 66.0825 31.4242 177.9476 178 T 3.3889 7.9278 115.3125 66.5830 68.3820 176.2877 179 V 3.4530 7.4663 119.7839 66.3104 31.2203 178.2027 180 V 3.5755 7.5573 116.6838 66.1675 31.6210 177.4340 181 L 3.9582 7.9456 118.5674 58.1531 41.3965 179.5216 182 W 4.3680 8.5917 118.6127 59.9684 29.1103 178.2798 183 S 4.1589 8.1130 112.4189 61.7939 60.8525 176.2193 184 A 4.0678 7.7654 123.1435 55.8498 18.0500 178.3489 185 Y 4.6978 7.9439 114.9185 61.8319 37.8574 177.3348 186 P 4.3981 0.0000 0.0000 66.0404 31.6821 178.4912 187 V 3.6372 7.9708 118.0354 65.8814 31.2521 178.1825 188 V 3.5365 9.2330 116.6421 65.8465 31.5290 177.1075 189 W 4.1159 8.7150 126.9144 60.8851 30.4969 177.1671 190 L 4.1417 8.1382 119.2348 58.8487 41.6608 178.4681 191 I 3.4281 7.9083 117.3880 65.0850 37.1232 175.9765 *192 G 3.8072 7.6571 110.9884 45.5339 0.0000 171.5564 *202 N 4.1681 8.3649 117.5194 52.8279 39.5737 176.4279 203 I 3.3298 7.3386 118.7335 63.2269 37.6299 176.6947 204 E 3.3481 7.8722 119.6196 59.8165 29.1730 178.9259 205 T 3.7362 7.4300 114.4914 67.1388 68.7063 175.4159 206 L 3.6405 7.2644 120.1890 58.7055 41.7756 178.4549 207 L 3.9979 8.1267 118.8104 58.5628 42.3116 179.5917 208 F 4.7025 7.9744 116.4167 61.0934 38.8162 176.9100 209 M 4.2621 8.3851 119.0132 58.2788 31.8853 177.9253 210 V 3.7180 7.9548 117.6694 66.5249 31.1409 177.2004 211 L 4.0922 8.1909 119.2307 58.8554 41.7645 178.6859 212 D 4.7075 8.6193 118.2445 57.4841 40.9341 179.1620 213 V 3.7249 7.6905 119.5100 65.0973 31.3966 177.9104 214 S 4.0859 8.8727 115.0130 61.4980 62.2465 175.2729 215 A 3.9791 9.3986 123.0912 56.1605 17.7153 179.7813 216 K 4.1448 9.5699 115.4452 59.3332 32.7334 180.2612 217 V 3.9347 8.2638 119.7709 64.8009 31.0206 178.5490 218 G 3.6000 7.6099 104.0887 47.4376 0.0000 174.8204 219 F 4.6342 8.2403 124.0830 61.0777 39.3681 177.2294 220 G 4.0026 9.3851 106.0624 47.6976 0.0000 174.8325 221 L 4.0905 8.0697 122.9657 58.1197 41.7541 178.7029 222 I 3.6728 7.4796 116.9281 64.2726 37.9002 177.1353 223 L 4.0375 7.8164 119.7122 58.0168 42.0206 178.3147 224 L 4.1707 8.1213 118.6031 58.1244 42.1606 178.2009 225 R 3.9560 8.0051 119.8789 60.0396 30.1027 176.8848 *226 S 4.2690 7.8978 117.1857 58.2639 63.0788 175.2162 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 8 P 0.00 4.60 0.00 2.18 2.16 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 9 E 8.24 3.72 0.00 2.11 1.98 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 2.27 2.35 0.00 10 W 9.37 4.39 0.00 3.41 3.26 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 11 I 7.51 2.37 2.35 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.36 0.00 0.00 12 W 8.72 3.71 0.00 3.52 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.78 3.96 0.00 2.05 1.71 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.77 3.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.29 3.92 0.00 1.47 1.77 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.12 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.32 4.04 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 1.31 0.00 0.00 18 A 7.66 3.89 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 19 L 7.52 3.87 0.00 2.04 1.74 0.89 0.86 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 20 M 7.81 4.08 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 21 G 7.62 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.54 4.03 0.00 1.67 1.89 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.93 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 24 T 7.88 4.00 4.50 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 1.54 0.00 0.00 25 L 8.11 4.03 0.00 2.05 1.78 0.93 0.67 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 26 Y 8.73 4.28 0.00 2.92 3.25 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 27 F 8.37 3.39 0.00 3.28 3.05 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 0.00 0.00 0.00 0.00 28 L 8.18 4.29 0.00 2.17 1.91 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.10 3.49 2.39 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 0.89 0.00 0.00 1.00 0.00 0.00 30 K 8.55 4.00 0.00 1.29 1.64 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 31 G 8.74 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 0.00 0.00 0.00 32 M 7.67 3.89 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 *33 G 7.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 D 8.36 4.67 0.00 2.89 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 39 A 8.24 4.33 1.43 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 0.00 0.00 0.00 40 K 8.25 3.86 0.00 1.90 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.65 7.81 41 K 7.65 3.69 0.00 1.27 1.41 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.33 7.81 42 F 7.70 4.17 0.00 3.40 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 43 Y 7.68 4.10 0.00 3.27 3.29 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 44 A 6.08 3.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.06 3.43 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.87 0.00 0.00 46 T 8.03 3.64 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 0.13 0.00 0.00 47 T 7.97 3.82 4.48 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 1.19 0.00 0.00 48 L 8.08 3.90 0.00 1.61 1.87 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.30 3.60 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 0.77 0.00 0.00 0.96 0.00 0.00 50 P 0.00 4.27 0.00 2.38 2.26 0.00 3.77 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 2.23 2.25 0.00 51 A 7.73 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.74 3.52 1.96 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 1.37 0.88 0.98 0.00 0.00 53 A 8.52 4.16 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 54 F 8.84 4.43 0.00 3.04 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.75 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 56 M 8.30 4.13 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 2.25 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0.00 3.28 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.84 4.26 1.53 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 85 D 8.63 4.57 0.00 3.08 3.20 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 86 W 8.76 4.53 0.00 3.53 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 87 L 8.70 4.39 0.00 1.36 1.79 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.08 4.59 0.00 3.36 3.05 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 0.00 0.00 0.00 0.00 89 T 8.69 4.00 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 1.56 0.00 0.00 90 T 8.30 4.14 4.64 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 1.46 0.00 0.00 91 P 0.00 4.32 0.00 2.30 2.35 0.00 3.84 0.00 0.00 3.83 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8.08 4.60 0.00 3.25 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.25 4.65 0.00 3.04 2.89 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 0.00 155 G 8.89 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 0.00 156 F 8.35 4.49 0.00 2.88 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 0.00 157 T 7.23 3.29 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 1.11 0.00 0.00 *158 S 7.76 4.36 0.00 3.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *166 E 8.24 4.36 0.00 2.06 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 0.00 2.21 2.28 0.00 167 V 7.70 3.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00 168 A 7.85 4.09 1.52 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 0.00 169 S 8.05 3.97 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.75 3.69 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 171 F 7.16 4.24 0.00 1.51 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 0.00 172 K 7.65 4.04 0.00 2.11 1.90 0.00 2.00 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.88 7.81 173 V 8.12 3.65 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 1.03 0.00 0.00 0.87 0.00 0.00 174 L 8.29 3.67 0.00 1.92 1.87 1.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.22 3.79 0.00 2.05 2.46 0.00 3.36 0.00 0.00 3.60 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 176 N 7.65 4.23 0.00 3.00 3.13 0.00 0.00 6.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.88 3.49 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 0.69 0.00 0.00 0.84 0.00 0.00 178 T 7.93 3.39 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 0.37 0.00 0.00 179 V 7.47 3.45 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 0.91 0.00 0.00 0.76 0.00 0.00 180 V 7.56 3.58 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 0.88 0.00 0.00 0.94 0.00 0.00 181 L 7.95 3.96 0.00 1.83 1.62 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 182 W 8.59 4.37 0.00 3.41 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.11 4.16 0.00 4.10 4.05 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 0.00 0.00 0.00 0.00 184 A 7.77 4.07 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 0.00 185 Y 7.94 4.70 0.00 3.10 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 0.00 186 P 0.00 4.40 0.00 2.78 2.98 0.00 4.15 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 187 V 7.97 3.64 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 1.10 0.00 0.00 1.07 0.00 0.00 188 V 9.23 3.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 1.05 0.00 0.00 189 W 8.72 4.12 0.00 3.69 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 0.00 190 L 8.14 4.14 0.00 1.64 1.64 0.45 1.04 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 0.00 191 I 7.91 3.43 1.91 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 1.44 0.82 0.82 0.00 0.00 *192 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *202 N 8.36 4.17 0.00 2.34 2.81 0.00 0.00 5.98 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 7.34 3.33 1.69 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 1.36 1.17 0.73 0.00 0.00 204 E 7.87 3.35 0.00 1.70 1.59 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 1.65 1.74 0.00 205 T 7.43 3.74 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 1.26 0.00 0.00 206 L 7.26 3.64 0.00 1.17 1.44 0.76 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.13 4.00 0.00 2.00 1.68 0.95 0.86 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 0.00 208 F 7.97 4.70 0.00 3.38 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 0.00 209 M 8.39 4.26 0.00 2.69 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.74 0.00 210 V 7.95 3.72 2.45 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 1.02 0.00 0.00 1.17 0.00 0.00 211 L 8.19 4.09 0.00 2.24 2.11 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.62 4.71 0.00 3.17 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 0.00 213 V 7.69 3.72 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 0.93 0.00 0.00 0.95 0.00 0.00 214 S 8.87 4.09 0.00 3.96 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 0.00 215 A 9.40 3.98 1.53 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 0.00 216 K 9.57 4.14 0.00 1.92 1.97 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.69 7.81 217 V 8.26 3.93 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 0.84 0.00 0.00 1.02 0.00 0.00 218 G 7.61 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 F 8.24 4.63 0.00 3.38 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 G 9.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.07 4.09 0.00 2.28 1.84 0.94 0.81 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 0.00 222 I 7.48 3.67 2.13 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 1.41 0.95 1.09 0.00 0.00 223 L 7.82 4.04 0.00 1.72 2.04 0.54 1.00 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 0.00 224 L 8.12 4.17 0.00 1.61 1.92 0.96 0.99 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 0.00 225 R 8.01 3.96 0.00 2.05 2.13 0.00 3.49 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 *226 S 7.90 4.27 0.00 3.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.