NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4255 8.3349 115.2937 57.5219 63.5620 173.5279 23 L 4.1252 8.4643 127.6291 53.3187 42.2024 176.1630 24 S 4.5919 9.7766 119.0607 57.0825 66.4763 173.4696 25 P 4.2539 0.0000 0.0000 65.8730 31.0322 178.8304 26 Q 3.9744 8.0125 117.8900 59.0620 28.9944 177.8743 27 E 3.8861 8.1948 119.6408 59.4958 29.4918 179.3923 28 L 4.3383 8.3945 119.0217 57.8017 41.7194 179.3100 29 A 4.0640 8.5022 121.2360 55.1807 18.3340 179.6834 30 S 3.9588 7.9888 111.5491 61.6131 62.4960 176.4235 31 F 4.1979 8.2888 120.6827 60.3231 38.5032 177.5321 32 K 4.2474 8.8618 119.7440 59.6153 32.1732 178.6674 33 K 3.9028 8.2675 119.6237 59.4139 31.9617 178.6670 34 A 3.9436 7.9994 120.8382 55.1176 18.3030 179.4446 35 R 3.7958 8.6380 117.5886 59.9018 30.1663 178.4912 36 D 4.3364 8.5694 118.6762 57.1509 40.7743 178.6617 37 A 3.9775 7.9162 120.9427 54.9834 18.4157 179.6035 38 L 3.7784 8.1453 117.7990 58.0152 41.5102 179.2732 39 E 3.7967 7.9309 117.2200 59.8387 29.6305 179.2572 40 E 4.1529 8.2023 118.3845 59.4318 29.5906 179.6318 41 S 4.2050 8.0933 114.2236 61.1521 62.8852 176.2114 42 L 4.1980 7.9035 121.8915 56.5809 41.1522 178.6706 43 K 4.4407 7.7233 117.3727 57.8551 32.2074 177.3405 44 L 4.5119 7.7326 117.3950 54.7057 42.8251 176.7137 45 K 4.4615 7.4060 116.3217 54.8358 33.7185 175.5557 46 N 4.7629 8.5929 119.7545 52.2991 38.8482 174.6338 47 W 5.0190 8.0665 124.8896 55.7978 28.8649 175.9722 48 S 4.1031 7.7581 113.0008 59.5541 62.9641 172.6292 49 C 5.1298 8.3405 119.1293 55.1072 42.7183 174.6622 50 S 4.1402 8.6790 117.8750 60.8138 63.0808 174.8607 51 S 4.6027 7.7265 112.9174 55.6594 65.3439 171.8163 52 P 4.4648 0.0000 0.0000 62.5988 31.8946 176.8132 53 V 3.5711 8.4806 121.7943 65.9175 31.7504 176.4566 54 F 4.0946 7.8285 116.9057 55.3346 40.2533 174.0867 55 P 4.4406 0.0000 0.0000 62.4497 31.7420 177.9811 56 G 3.7501 8.8187 110.1659 47.9334 0.0000 174.0879 57 N 4.9168 8.0470 115.5944 51.8673 37.6478 173.9134 58 W 3.3024 7.6046 128.6593 58.9119 30.8290 175.0247 59 D 4.1764 7.6724 120.2291 53.4645 43.4686 176.4196 60 L 4.0213 8.2351 127.1699 57.3840 41.8882 179.3068 61 R 3.9670 8.0101 116.8728 58.3525 29.9910 177.4857 62 L 4.1971 7.9233 116.6127 55.4835 41.9001 176.5855 63 L 4.6480 7.3118 118.5267 52.2232 44.4750 176.4077 64 Q 4.1069 8.3014 119.5426 55.9319 29.4542 178.1464 65 V 3.5766 8.5202 120.0990 66.5660 31.2796 178.8050 66 R 4.0043 7.9184 115.5206 58.7377 30.2582 178.0191 67 E 4.2687 8.0985 118.1021 58.0691 29.6236 178.7819 68 R 3.9109 7.6452 118.6174 59.0497 30.1354 177.0783 69 P 4.3144 0.0000 0.0000 65.6278 31.2562 178.8678 70 V 3.6120 7.8087 116.4555 65.7792 31.5358 177.8161 71 A 4.2021 8.0605 120.5032 55.2307 18.3094 179.3271 72 L 4.1122 8.4505 119.3490 58.3005 42.0813 178.7773 73 E 3.9606 8.6106 119.2786 59.2150 29.6108 178.6858 74 A 4.0514 8.1591 121.0720 55.1912 18.4199 179.4919 75 E 3.9836 8.4934 116.2606 59.3206 29.6869 179.2961 76 L 3.9412 8.1856 119.7481 57.6941 41.6911 179.3129 77 A 3.9622 8.3742 121.0212 55.0271 18.2349 179.4872 78 L 3.8339 8.0273 118.8193 58.4891 42.1255 179.1912 79 T 3.8427 8.2014 116.0604 66.6549 68.4028 176.5578 80 L 3.9468 8.0603 120.7391 57.6224 41.4710 179.1573 81 K 3.7842 7.8849 118.3232 59.7146 32.3357 178.6003 82 V 3.6972 7.8767 118.0750 66.1603 31.5577 178.1098 83 L 4.0276 8.2776 119.1190 57.6205 41.2395 179.0347 84 E 4.1343 8.6496 117.3910 58.0187 29.4581 177.3256 85 A 4.4275 7.5282 120.0556 51.4130 20.1065 176.9581 86 A 3.8478 7.5718 118.9765 52.6191 18.7228 177.3410 87 A 4.3134 8.4333 125.8719 52.2611 20.2575 177.5807 88 G 4.0389 8.6808 106.8508 45.5667 0.0000 172.6262 89 P 4.1371 0.0000 0.0000 65.4883 31.2445 178.5249 90 A 3.9806 8.0958 118.8224 55.6578 18.1744 179.6352 91 L 3.9504 7.8239 116.5004 57.7615 41.6646 179.2868 92 E 3.9494 8.1256 118.6060 59.4683 29.1815 178.9503 93 D 4.3725 8.1547 118.2739 57.5875 41.0792 179.2304 94 V 3.7933 7.3502 117.3967 63.8584 31.9998 177.4946 95 L 4.2466 7.8319 118.6724 55.5571 41.5943 177.9958 96 D 4.2386 7.6498 119.2542 57.6066 41.1213 178.1005 97 Q 3.8629 7.8299 119.2197 58.4843 29.1134 175.7790 98 P 3.5470 0.0000 0.0000 65.6031 31.3389 178.3666 99 L 4.0268 8.3748 117.8511 58.1019 41.5867 179.2348 100 H 4.0975 7.9081 118.1439 59.5854 29.7942 177.5535 101 T 3.9653 8.1093 117.6797 66.5475 68.1718 176.7093 102 L 4.0751 8.4478 121.3147 58.1932 41.6495 179.2054 103 H 4.0848 8.5038 116.1862 59.1804 28.6305 177.3968 104 H 4.2915 8.0679 120.8103 58.6663 29.7404 177.3666 105 I 3.6316 7.9876 121.7742 64.1823 36.9762 177.9396 106 L 3.9435 8.1874 121.6742 58.3808 41.8138 179.2178 107 S 4.1508 8.1769 114.0214 61.6502 62.5885 176.4547 108 Q 4.0422 7.8433 120.8216 58.4765 28.8373 177.9902 109 L 4.0975 8.0015 121.4285 58.3471 41.9470 179.0117 110 Q 4.1647 8.0739 116.0807 57.8314 28.6907 177.1941 111 A 4.5406 7.3456 120.3446 52.0983 18.9348 177.1249 112 C 4.6560 7.7691 113.7899 59.7118 29.9978 174.3147 113 I 4.0061 7.8020 121.3836 60.8568 37.1760 176.0242 114 Q 2.8165 8.4096 129.7726 56.7505 28.5591 172.5419 *123 P 4.2852 0.0000 0.0000 61.5708 33.2336 175.8841 124 R 4.5375 7.8489 115.8221 54.3261 31.4703 175.0606 125 G 3.8233 8.0766 115.3900 43.2568 0.0000 173.6465 126 R 3.5296 8.7859 119.0928 59.3346 29.9850 178.4310 127 L 3.8564 7.6577 119.3890 58.4941 41.9535 178.0873 128 H 4.0951 8.2073 117.3513 59.8104 29.8226 176.6595 129 H 4.1928 8.5229 118.0463 58.7085 28.6774 177.8960 130 W 4.5881 8.8457 121.1932 59.8360 28.9459 178.4595 131 L 4.1080 8.6445 119.4019 58.1626 41.0858 178.9204 132 H 4.0257 8.4449 118.2217 59.4009 29.6171 177.0658 133 R 3.8811 8.1895 120.2567 59.5953 29.6719 178.5161 134 L 3.7676 7.5713 117.4799 57.4936 41.6411 179.1114 135 Q 4.0642 7.9448 117.0356 59.2252 29.0409 178.0152 136 E 4.0658 8.3660 119.8376 58.0880 29.5480 178.8256 137 A 3.9419 7.5688 121.4329 54.8408 18.2503 177.9485 138 P 4.2223 0.0000 0.0000 65.2912 31.4207 178.5019 139 K 4.1665 7.8020 116.1580 58.0056 32.1359 177.7957 140 K 4.4043 7.8549 116.3188 56.2139 33.9308 175.8167 141 E 4.7276 7.8330 117.1496 53.9114 32.2115 176.1880 142 S 4.4236 8.2654 115.4868 57.9562 65.2133 175.2702 143 A 4.0511 8.4970 123.7543 55.2008 18.1867 179.9173 144 G 3.7308 8.1839 103.8385 48.1957 0.0000 176.0916 145 C 4.6486 8.3236 120.9693 59.5645 40.8206 175.6506 146 L 3.9016 7.8944 120.5405 57.6263 41.1576 179.0990 147 E 3.7591 8.5812 119.4145 59.2234 29.6070 178.5826 148 A 3.3257 8.1864 120.9894 55.1266 18.3605 179.8036 149 S 4.1615 8.1566 113.4532 62.0554 62.7829 177.4253 150 V 3.7809 7.5606 113.6792 63.9383 31.5677 178.6226 151 T 3.8133 7.5527 109.9573 64.8808 68.4325 176.7399 152 F 4.4719 7.5205 119.1382 59.2300 39.2341 176.5363 153 N 4.2849 7.8507 115.9723 54.6448 38.6937 176.3616 154 L 3.6725 7.4508 122.1993 58.7866 42.0913 179.0084 155 F 3.9470 8.0204 116.8464 60.1052 38.8436 177.6389 156 R 3.8519 7.9718 118.2604 59.0982 29.9412 178.0449 157 L 4.1797 7.7668 121.4091 57.8394 41.9264 179.1380 158 L 3.8762 7.6370 117.2915 57.2309 40.7652 178.9449 159 T 4.2225 7.9770 115.2229 65.4685 69.2245 176.8230 160 R 3.5077 7.8215 120.1962 58.8848 29.9075 178.0944 161 D 4.3295 7.7500 117.9793 57.2750 40.9764 178.5446 162 L 3.9875 7.8384 119.4432 57.6724 41.6054 179.5472 163 K 3.9153 7.2995 116.1569 59.8124 32.1849 178.3680 164 Y 4.4789 7.7092 116.9718 61.1895 37.7701 178.9095 165 V 3.6213 7.8599 118.4256 66.0738 31.4688 177.9953 166 A 4.0757 7.9540 119.1807 55.1875 18.1938 179.1532 167 D 4.5433 8.2683 117.1677 57.5565 41.1818 179.0150 168 G 3.6243 7.9720 105.0387 45.8288 0.0000 172.7939 169 N 4.6851 8.0668 124.1530 53.9113 40.5682 173.5242 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 22 S 8.33 4.43 0.00 3.86 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 23 L 8.46 4.13 0.00 1.79 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.78 4.59 0.00 4.08 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 25 P 0.00 4.25 0.00 2.20 2.17 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 26 Q 8.01 3.97 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 27 E 8.19 3.89 0.00 2.35 2.15 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 2.33 2.37 0.00 28 L 8.39 4.34 0.00 1.94 1.94 1.04 1.42 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 29 A 8.50 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.99 3.96 0.00 3.79 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 31 F 8.29 4.20 0.00 3.21 2.61 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 32 K 8.86 4.25 0.00 2.09 2.07 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.44 7.81 33 K 8.27 3.90 0.00 2.01 1.95 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 A 8.00 3.94 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 35 R 8.64 3.80 0.00 2.14 2.26 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.06 0.00 36 D 8.57 4.34 0.00 2.77 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 37 A 7.92 3.98 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 38 L 8.15 3.78 0.00 1.70 1.51 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.93 3.80 0.00 2.09 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 0.00 2.16 2.49 0.00 40 E 8.20 4.15 0.00 2.15 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 0.00 2.55 2.47 0.00 41 S 8.09 4.21 0.00 4.06 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 42 L 7.90 4.20 0.00 1.72 1.42 0.43 0.29 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 43 K 7.72 4.44 0.00 1.88 1.94 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.79 7.81 44 L 7.73 4.51 0.00 1.83 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.41 4.46 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 46 N 8.59 4.76 0.00 2.68 2.76 0.00 0.00 6.79 7.95 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 47 W 8.07 5.02 0.00 3.62 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 48 S 7.76 4.10 0.00 3.90 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 49 C 8.34 5.13 0.00 3.01 3.23 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 0.00 50 S 8.68 4.14 0.00 4.02 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 51 S 7.73 4.60 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.12 2.03 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 53 V 8.48 3.57 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 0.30 0.00 0.00 0.91 0.00 0.00 54 F 7.83 4.09 0.00 2.84 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 55 P 0.00 4.44 0.00 1.98 2.02 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.88 0.00 56 G 8.82 3.75 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 0.00 0.00 0.00 57 N 8.05 4.92 0.00 2.95 3.00 0.00 0.00 5.94 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 58 W 7.60 3.30 0.00 3.22 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 59 D 7.67 4.18 0.00 2.78 2.60 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 60 L 8.24 4.02 0.00 1.81 1.71 0.98 0.71 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 61 R 8.01 3.97 0.00 1.79 1.90 0.00 2.92 0.00 0.00 2.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 62 L 7.92 4.20 0.00 1.84 1.56 1.21 0.82 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 63 L 7.31 4.65 0.00 1.72 1.46 0.94 0.41 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 64 Q 8.30 4.11 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 65 V 8.52 3.58 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 1.07 0.00 0.00 0.91 0.00 0.00 66 R 7.92 4.00 0.00 1.81 1.98 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 67 E 8.10 4.27 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 68 R 7.65 3.91 0.00 1.93 2.01 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 69 P 0.00 4.31 0.00 2.18 2.13 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 70 V 7.81 3.61 2.24 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 1.10 0.00 0.00 0.96 0.00 0.00 71 A 8.06 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.45 4.11 0.00 1.83 1.91 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.61 3.96 0.00 2.19 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 0.00 2.34 2.35 0.00 74 A 8.16 4.05 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 75 E 8.49 3.98 0.00 2.41 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 2.87 2.55 0.00 76 L 8.19 3.94 0.00 2.03 1.77 0.93 0.50 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 77 A 8.37 3.96 1.36 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 78 L 8.03 3.83 0.00 1.73 1.75 0.83 0.26 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 79 T 8.20 3.84 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 1.17 0.00 0.00 80 L 8.06 3.95 0.00 1.80 1.69 0.82 0.73 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 81 K 7.88 3.78 0.00 1.88 1.97 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 82 V 7.88 3.70 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 0.99 0.00 0.00 0.95 0.00 0.00 83 L 8.28 4.03 0.00 1.74 1.68 0.90 0.74 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 84 E 8.65 4.13 0.00 1.95 2.02 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 2.38 2.51 0.00 85 A 7.53 4.43 1.34 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 0.00 0.00 86 A 7.57 3.85 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 87 A 8.43 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.68 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.14 0.00 2.15 2.11 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 90 A 8.10 3.98 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 91 L 7.82 3.95 0.00 1.68 1.69 0.92 0.90 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 92 E 8.13 3.95 0.00 2.15 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 2.31 2.53 0.00 93 D 8.15 4.37 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.35 3.79 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 0.81 0.00 0.00 0.93 0.00 0.00 95 L 7.83 4.25 0.00 1.80 1.71 0.97 0.64 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 96 D 7.65 4.24 0.00 2.86 2.61 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 97 Q 7.83 3.86 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 98 P 0.00 3.55 0.00 2.21 1.85 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.80 0.00 99 L 8.37 4.03 0.00 1.81 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.91 4.10 0.00 3.24 3.45 0.00 5.78 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 0.00 101 T 8.11 3.97 4.39 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 1.45 0.00 0.00 102 L 8.45 4.08 0.00 1.93 1.77 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.50 4.08 0.00 3.33 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.07 4.29 0.00 3.21 3.47 0.00 5.83 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 0.00 105 I 7.99 3.63 2.02 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 1.43 1.00 0.90 0.00 0.00 106 L 8.19 3.94 0.00 1.78 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.18 4.15 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.84 4.04 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 109 L 8.00 4.10 0.00 1.77 1.88 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.07 4.16 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 111 A 7.35 4.54 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 7.77 4.66 0.00 3.14 2.92 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 0.00 113 I 7.80 4.01 1.88 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 1.32 0.77 0.93 0.00 0.00 114 Q 8.41 2.82 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 *123 P 0.00 4.29 0.00 2.07 2.10 0.00 3.68 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 1.90 2.06 0.00 124 R 7.85 4.54 0.00 1.46 1.74 0.00 2.64 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 125 G 8.08 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.79 3.53 0.00 1.52 1.54 0.00 2.60 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 127 L 7.66 3.86 0.00 1.77 1.67 1.06 0.98 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 0.00 128 H 8.21 4.10 0.00 3.21 3.50 0.00 5.73 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 0.00 129 H 8.52 4.19 0.00 3.43 3.49 0.00 5.87 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 0.00 130 W 8.85 4.59 0.00 3.71 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.64 4.11 0.00 1.88 1.78 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.44 4.03 0.00 3.23 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.19 3.88 0.00 2.03 2.02 0.00 3.06 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 134 L 7.57 3.77 0.00 1.58 1.46 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.94 4.06 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 136 E 8.37 4.07 0.00 1.97 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 0.00 2.10 2.22 0.00 137 A 7.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.22 0.00 1.99 2.09 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 139 K 7.80 4.17 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 140 K 7.85 4.40 0.00 1.71 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.68 7.81 141 E 7.83 4.73 0.00 1.94 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 2.38 2.35 0.00 142 S 8.27 4.42 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.50 4.05 1.34 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 0.00 0.00 144 G 8.18 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 0.00 145 C 8.32 4.65 0.00 3.35 3.34 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 0.00 146 L 7.89 3.90 0.00 1.87 1.67 0.94 0.79 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 0.00 147 E 8.58 3.76 0.00 2.17 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 2.16 2.24 0.00 148 A 8.19 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.16 4.16 0.00 4.09 4.14 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 0.00 0.00 0.00 0.00 150 V 7.56 3.78 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 0.87 0.00 0.00 0.91 0.00 0.00 151 T 7.55 3.81 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 0.97 0.00 0.00 152 F 7.52 4.47 0.00 3.07 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 0.00 153 N 7.85 4.28 0.00 2.21 2.55 0.00 0.00 6.63 6.47 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 0.00 154 L 7.45 3.67 0.00 1.82 1.52 0.59 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.02 3.95 0.00 3.09 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 0.00 156 R 7.97 3.85 0.00 1.86 1.99 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 157 L 7.77 4.18 0.00 1.74 1.71 0.87 0.31 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 0.00 158 L 7.64 3.88 0.00 1.38 1.44 -0.55 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.98 4.22 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 1.18 0.00 0.00 160 R 7.82 3.51 0.00 1.73 1.94 0.00 3.24 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.32 0.00 161 D 7.75 4.33 0.00 2.94 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 0.00 162 L 7.84 3.99 0.00 1.80 1.69 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.30 3.92 0.00 1.86 1.57 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 164 Y 7.71 4.48 0.00 3.03 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 0.00 165 V 7.86 3.62 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 166 A 7.95 4.08 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 0.00 167 D 8.27 4.54 0.00 2.91 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 0.00 168 G 7.97 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.07 4.69 0.00 2.90 2.90 0.00 0.00 7.00 7.48 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 * Residues marked with a * may have inaccurate shift predictions.