NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 50 Q 4.3552 8.2033 119.6878 55.5417 30.2728 176.1197 51 V 3.5575 8.3325 115.9251 63.7750 31.8512 175.0841 52 E 3.9301 8.4257 118.7827 59.3045 30.3152 177.8221 53 Q 4.0395 7.9505 118.8746 58.2704 29.3013 176.0745 54 I 4.0989 7.6752 119.7255 61.0775 37.3702 174.7371 55 E 4.2759 9.2046 128.2925 55.2083 31.1072 175.2242 56 L 4.3986 8.5414 129.5902 54.6505 41.5523 177.0603 57 R 4.0139 8.8695 125.1722 58.6679 30.6863 177.3862 58 T 4.4862 7.6440 112.9234 60.4560 72.0989 172.8588 59 Y 4.7915 8.7710 126.3289 55.8141 41.5433 174.5838 60 V 4.6108 8.5758 126.2234 61.0851 35.2709 173.5246 61 F 5.2177 9.0477 129.3926 56.3413 41.8688 173.9002 62 L 4.5002 8.1621 126.8007 52.7733 42.9949 177.1954 63 D 4.0250 8.6613 124.6211 56.0133 39.7175 176.8820 64 S 4.6239 7.4857 115.5592 56.5639 65.5653 173.2540 65 L 4.3774 8.9372 129.3104 54.8044 42.2600 177.3389 66 Q 4.3722 9.2808 123.6448 55.2071 29.8726 175.8470 67 P 4.1981 0.0000 0.0000 66.1192 31.4270 179.1103 68 Q 3.9791 8.9849 116.8293 58.9998 28.4525 178.6729 69 L 4.1153 8.2385 119.9848 58.0017 42.1180 178.5922 70 A 4.0684 8.1634 120.2933 54.9327 18.6334 179.0806 71 A 4.1392 8.2763 119.5937 55.3367 18.4164 179.3339 72 Y 4.0982 8.4814 115.5474 58.4102 38.3830 177.6476 *74 G 3.8893 7.9628 108.4577 45.5045 0.0000 175.0567 75 T 3.9240 7.9066 115.8324 66.3171 68.4362 176.0539 76 V 3.8110 7.3317 112.3062 62.7439 32.1283 177.0170 77 S 4.5666 7.7993 114.7174 58.2400 63.6006 173.9912 78 R 4.5109 8.8214 120.3135 56.0825 30.8899 177.4232 79 G 4.2736 7.5495 106.1499 45.8413 0.0000 173.2563 80 F 4.6800 9.2321 122.7910 56.7240 40.1234 175.6879 81 L 4.5815 8.7230 124.8183 55.1376 41.1069 175.1671 82 P 4.3491 0.0000 0.0000 61.9958 32.7808 175.3517 83 I 4.2506 8.8509 120.7681 59.0831 38.4810 174.0759 84 P 4.3784 0.0000 0.0000 64.4134 31.5896 176.7515 85 G 4.1465 8.9397 111.4683 44.8046 0.0000 173.7964 86 D 4.5453 7.8265 119.7088 54.6030 41.6395 176.4387 87 S 4.5564 8.9182 117.9705 58.6584 64.7029 172.8837 88 C 5.2768 8.6589 121.9911 57.8004 35.3503 172.1899 89 L 5.0775 8.9799 128.0455 53.1640 43.9858 175.1522 90 W 5.6589 8.8699 135.0000 54.6478 34.5017 173.5755 *92 E 4.4061 8.3846 121.6337 56.1436 30.5042 174.7143 93 V 5.0773 9.2087 119.4237 59.6301 36.6537 174.2520 94 S 5.2727 8.6441 116.1475 55.8248 65.5012 171.7905 95 P 4.6974 0.0000 0.0000 61.7217 32.5711 176.7712 96 G 3.6935 8.7453 108.5881 46.3518 0.0000 175.0247 *98 A 4.3620 8.0777 123.2813 51.2558 20.5393 180.0362 99 V 3.6683 7.5322 115.7445 64.6813 31.2017 178.2819 100 H 4.1025 8.0608 117.0113 58.6758 28.5205 177.4569 101 R 3.8492 7.8516 120.0297 59.4537 30.0269 178.5394 102 V 3.5631 7.7810 117.5464 66.3464 31.4378 177.8743 103 T 3.7750 8.0553 115.3973 66.6968 68.3608 176.0863 104 D 4.3097 8.1565 119.7942 57.3916 40.7222 178.2031 105 I 3.6620 8.1118 120.4323 64.4799 36.4738 178.2901 106 A 4.0121 8.0686 121.4306 55.1432 17.9644 179.6355 107 L 4.1209 7.7789 116.5091 57.5168 41.9032 179.4270 108 K 4.1149 8.0488 117.1602 58.5102 32.0502 178.4122 109 A 4.3940 7.4379 119.0542 52.8150 19.1601 176.3551 110 S 4.4667 6.9019 106.6696 58.1418 65.9361 174.9047 111 N 4.7272 8.6520 115.3567 53.5443 38.0211 176.2710 112 V 4.0125 7.2080 111.9050 61.8470 32.3935 175.6664 113 R 4.5130 8.6526 121.1343 54.4162 33.1779 175.7634 114 L 4.4108 8.4231 124.1374 54.5860 42.0242 177.1497 115 G 3.8246 8.5889 115.6432 48.6413 0.0000 171.5421 116 Q 4.4865 7.4301 119.6591 55.1710 33.1384 172.4881 *118 I 4.1679 8.0945 119.7653 60.7372 39.5006 174.2820 119 V 4.4984 8.3535 128.2253 61.2311 33.0051 174.4828 120 E 4.5864 8.7736 130.7973 54.6716 31.9560 175.2428 121 R 3.7913 8.8054 117.0761 59.2225 29.8869 177.8665 122 A 4.3481 7.8982 116.6969 51.4801 21.0931 175.6887 123 F 5.4560 7.8239 112.9112 55.7061 43.6871 174.2460 124 G 4.4773 8.9963 107.7400 44.6890 0.0000 172.3918 125 S 4.9585 8.5996 119.9137 56.5059 67.0285 173.1596 126 L 4.5216 7.2019 120.1480 54.1676 44.3303 174.3288 127 A 5.0159 8.3614 120.7360 50.0280 22.2619 174.9492 128 L 4.9137 8.7385 122.2080 52.9814 44.7976 175.2705 129 Y 5.5570 8.3183 120.6979 56.9008 41.5038 174.1908 130 H 4.8268 8.8609 119.7868 55.1602 33.4245 174.5706 131 K 4.0027 8.5941 124.4127 58.1711 32.3461 176.5772 132 D 4.9405 8.2066 119.1053 52.6088 42.4291 176.5844 133 Q 4.3746 9.4189 125.6247 58.6914 28.7482 179.7338 134 S 4.2187 8.1174 114.1979 61.5046 63.2340 176.5461 135 T 3.8580 7.7651 119.6820 66.3451 68.2886 176.8299 136 V 3.6429 7.8267 119.5982 66.0716 31.6813 177.5329 137 L 3.9079 8.1006 118.7609 58.2893 41.4505 179.0196 138 H 4.1166 8.3891 117.7753 59.5509 29.7755 177.1313 139 S 4.1635 8.0276 116.4460 61.7888 62.6281 177.1713 140 G 3.7159 8.0956 107.8117 47.7439 0.0000 175.4039 141 D 4.3514 8.3670 121.6616 57.2072 40.8223 179.0075 142 V 3.5126 7.7944 118.6196 66.0016 31.4589 178.0708 143 V 3.5629 7.7546 117.7395 66.1697 31.4089 178.0138 144 L 4.0150 8.3125 119.0027 57.7342 41.3273 179.2465 145 D 4.2704 8.3811 118.7965 57.5036 40.6377 178.6238 146 A 4.0242 8.0561 120.1501 54.4499 18.3198 178.6709 147 I 4.2868 7.5142 108.8198 59.7106 38.5718 175.7541 148 G 3.8361 8.3197 107.6833 47.2532 0.0000 172.6409 149 S 4.7315 8.4639 112.5900 56.5653 66.3167 171.6481 150 E 4.6551 8.1863 116.9220 54.6312 32.2565 175.8676 151 V 3.1675 8.4253 119.5321 66.3150 31.3112 178.0626 152 R 4.2881 7.8937 115.3398 57.6744 30.0758 177.1319 153 K 4.2975 8.1473 117.3965 56.6938 32.6638 177.2808 154 R 4.3243 7.5975 116.1827 56.7725 29.7439 176.9546 155 T 4.0758 8.8247 119.2635 63.9223 69.1007 174.1679 156 K 4.2605 8.5818 125.5582 54.9979 33.1962 175.0853 157 P 4.3950 0.0000 0.0000 63.0389 32.0790 175.2926 158 S 4.6590 9.5822 120.0494 57.0394 64.4073 173.0501 159 T 4.7099 8.5613 124.5788 62.8384 67.7518 174.5846 160 S 4.5749 8.9218 122.8631 60.2431 64.4559 174.6625 161 W 4.9301 7.9761 128.7396 56.6173 33.7374 173.1848 162 T 5.2962 7.5753 115.8777 59.9268 71.6793 172.2840 163 E 4.8099 7.7465 119.4279 56.5015 32.2476 174.9642 164 V 4.6977 8.5497 119.5548 60.9897 33.8357 174.5499 165 I 4.5106 8.2860 126.9751 59.7345 39.3390 174.6418 166 C 4.4386 8.9146 122.0479 58.6643 30.0241 173.0817 167 A 3.8773 8.5358 122.8096 52.9150 15.4123 178.0629 168 I 3.7447 7.3338 122.6919 61.6341 38.4152 177.0393 169 T 4.5124 8.3067 114.7884 60.6789 71.1263 174.0777 170 P 4.2340 0.0000 0.0000 65.8116 31.2240 178.7585 171 D 4.3386 8.0503 117.2551 57.6672 40.8264 178.1350 172 H 4.1791 8.0657 118.6251 59.1532 29.8123 177.1532 173 A 3.9526 8.2999 122.8256 55.2431 18.0256 179.8185 174 V 3.5516 7.5883 115.5818 65.9763 31.9872 177.9419 175 L 4.1468 7.7630 118.7337 57.8735 41.6127 179.4718 176 I 3.7406 7.7607 119.7000 64.6083 36.8548 178.3091 177 N 4.5317 8.2154 115.8631 55.5019 38.4143 176.7148 178 R 4.5652 7.6080 117.1125 55.6958 31.8014 176.9623 179 Q 4.2798 7.4540 117.3998 55.2452 27.6101 174.7288 180 N 4.0995 8.2415 125.3639 54.0436 37.7371 174.2349 181 R 5.1115 7.8138 115.4576 55.3099 31.1760 175.5564 182 S 4.6928 9.3957 120.4015 58.5981 65.2002 175.3618 183 G 4.8983 8.0325 111.4465 45.2497 0.0000 171.9652 184 S 4.8941 8.7629 124.4889 58.5828 63.0811 177.9646 *186 I 3.9721 8.6132 125.9879 61.8410 38.5808 172.9630 187 Q 4.7080 8.4345 126.2393 53.4849 31.1274 175.9102 188 S 4.1977 8.4776 116.8674 60.0110 63.6672 174.4066 189 G 3.8166 8.5071 109.8406 46.1600 0.0000 172.6109 *191 S 4.6992 7.5137 114.5224 58.0777 65.5558 173.0523 *193 F 4.9214 8.3836 121.4168 58.9350 40.7158 175.0750 194 I 4.8011 7.6484 118.0061 59.0376 41.2500 174.2076 195 L 4.8722 8.3298 125.0950 53.7524 45.9925 173.8217 196 E 5.9329 9.9668 127.6376 53.8846 32.3915 174.7235 197 T 5.3131 8.5216 115.5732 60.2348 73.3543 172.3884 198 E 4.6998 8.9213 121.8060 54.6166 32.4287 173.0739 199 P 4.4663 0.0000 0.0000 62.5547 32.2909 177.2940 200 A 4.5232 8.5620 121.5018 55.2597 18.4460 180.2441 201 G 3.4962 8.1109 104.1102 48.0196 0.0000 175.3391 202 Y 4.2615 7.3806 118.8814 60.5869 37.7382 178.4187 203 V 3.7466 7.5947 113.5256 63.5454 31.6305 178.1139 204 L 3.7524 7.5314 120.5089 57.7222 41.8298 178.7839 205 K 3.9134 7.9357 118.9781 59.3523 32.2271 178.2895 206 A 4.0022 7.8217 121.0257 55.2367 18.2052 179.5051 207 A 3.8941 8.2333 119.2812 55.3808 18.5711 179.3384 208 N 4.1924 7.9598 115.2319 56.9473 39.0590 176.9509 209 E 3.9750 8.2836 119.7990 59.1460 29.1575 179.0151 210 A 3.9376 8.3513 121.3433 55.2188 18.2158 179.3458 211 E 3.9500 8.1691 116.8338 59.1549 29.7220 178.8190 212 K 4.0852 7.7468 117.8740 59.5326 32.2509 178.9938 213 S 4.3856 7.6958 112.5608 59.3272 63.2165 173.9526 214 A 4.5295 6.8407 121.2641 50.9013 22.0057 176.0072 215 N 4.6116 8.4332 119.6377 52.1358 37.5963 173.6606 216 I 4.7788 7.6979 116.8595 59.0110 41.9161 174.2536 217 T 4.7723 8.7753 118.4530 61.7835 71.0466 174.0499 218 I 4.1956 9.2660 128.4569 61.4735 37.9851 176.4249 219 I 4.2168 8.7124 128.3520 63.3071 38.5521 175.5700 220 D 4.7846 7.5102 119.2158 53.2251 45.5789 174.8329 221 V 4.3607 8.3040 120.8504 61.3722 33.3755 174.7408 222 K 4.4993 9.3100 128.4059 54.7059 32.5146 176.5279 223 A 4.5913 8.4387 125.9131 51.4527 19.3918 176.7501 224 V 4.5135 8.4891 116.2384 60.8197 34.1653 175.5278 225 G 4.6503 8.8401 112.3161 43.0185 0.0000 172.6262 226 A 4.3057 8.5166 122.5286 54.2740 18.5870 177.9348 227 F 5.0422 8.2179 112.3506 55.6728 42.5326 175.2751 228 G 4.2748 9.0620 109.2487 44.9828 0.0000 172.8942 229 R 5.1883 9.0842 121.8728 54.1243 34.2433 173.8380 230 L 5.0582 9.1846 126.5067 53.4890 45.0531 175.1825 231 T 5.0219 8.8402 121.9245 61.9201 71.9948 172.8596 232 L 5.3964 9.1441 126.3692 52.9838 45.2544 175.7863 233 A 4.8321 9.5530 122.6013 50.0191 23.1376 176.1706 234 G 3.7634 7.8783 105.2468 45.3370 0.0000 173.4824 235 K 4.1577 8.0655 121.4078 55.8389 34.0511 176.8962 236 E 3.9886 8.9169 124.1219 59.7445 29.5621 179.6355 237 G 3.6144 8.0526 104.8130 47.9281 0.0000 175.0221 238 D 4.3536 8.0307 120.8619 57.2118 40.8405 178.9875 239 V 3.5620 8.2423 119.0600 65.9475 31.4558 177.9886 240 E 3.9011 8.4657 118.7606 59.1204 29.2491 178.9896 241 E 3.8490 8.2069 118.4164 59.4647 29.6061 179.2167 242 A 3.8371 8.1148 120.6191 54.9896 18.3851 179.5454 243 A 2.5800 7.8789 119.1877 54.6293 18.4259 179.5707 244 A 3.8076 7.8049 119.0473 55.4330 18.4656 179.8054 245 A 3.9157 8.0554 118.9070 54.9147 18.3666 179.8525 246 A 3.9108 7.6977 119.4823 55.4218 18.4462 179.8836 247 I 3.6797 7.7033 118.3166 64.6686 37.1660 178.8210 248 R 3.9005 8.0820 118.6046 59.2351 29.9938 178.9567 249 A 4.0453 8.0770 120.4776 55.2890 18.2486 179.8185 250 I 3.7083 7.7934 118.2830 64.4274 37.1334 178.4450 251 D 4.3131 8.4500 120.1748 57.4558 40.4836 178.3509 252 Q 4.0127 8.2498 119.0640 59.4245 28.8701 178.3967 253 I 3.9034 7.6673 120.1273 64.7175 36.9677 178.6730 254 S 4.1774 7.6960 114.5026 60.7817 62.5865 175.4941 255 N 4.8878 7.6761 116.9226 52.9809 38.8597 174.3989 256 Y 4.3412 7.6357 127.4834 58.0281 38.8622 175.7173 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 50 Q 8.20 4.36 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 51 V 8.33 3.56 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 0.73 0.00 0.00 0.93 0.00 0.00 52 E 8.43 3.93 0.00 1.94 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 2.32 2.37 0.00 53 Q 7.95 4.04 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 54 I 7.68 4.10 1.98 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 1.19 0.75 0.92 0.00 0.00 55 E 9.20 4.28 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 56 L 8.54 4.40 0.00 1.84 1.60 1.03 1.05 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 57 R 8.87 4.01 0.00 1.72 1.76 0.00 2.42 0.00 0.00 2.48 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 58 T 7.64 4.49 4.17 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 0.63 0.00 0.00 59 Y 8.77 4.79 0.00 2.97 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 60 V 8.58 4.61 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 0.94 0.00 0.00 0.94 0.00 0.00 61 F 9.05 5.22 0.00 3.02 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 62 L 8.16 4.50 0.00 1.37 1.41 0.88 0.73 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 63 D 8.66 4.02 0.00 2.88 2.96 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 64 S 7.49 4.62 0.00 3.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.94 4.38 0.00 1.60 1.53 0.74 0.85 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 66 Q 9.28 4.37 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 67 P 0.00 4.20 0.00 2.14 2.10 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 68 Q 8.98 3.98 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 69 L 8.24 4.12 0.00 1.66 1.68 0.88 1.23 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 70 A 8.16 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 71 A 8.28 4.14 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 72 Y 8.48 4.10 0.00 3.12 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 *74 G 7.96 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 75 T 7.91 3.92 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 1.11 0.00 0.00 76 V 7.33 3.81 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 0.01 0.00 0.00 0.78 0.00 0.00 77 S 7.80 4.57 0.00 3.98 4.10 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 78 R 8.82 4.51 0.00 1.87 1.90 0.00 3.26 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 79 G 7.55 4.27 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 80 F 9.23 4.68 0.00 3.07 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 81 L 8.72 4.58 0.00 1.63 1.70 0.91 0.72 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 82 P 0.00 4.35 0.00 1.68 0.49 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.00 83 I 8.85 4.25 2.08 0.00 0.00 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 1.25 0.94 0.88 0.00 0.00 84 P 0.00 4.38 0.00 2.01 1.97 0.00 3.63 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 2.00 2.06 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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 1.32 0.00 0.00 163 E 7.75 4.81 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 164 V 8.55 4.70 2.13 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 0.91 0.00 0.00 1.08 0.00 0.00 165 I 8.29 4.51 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.96 0.00 0.00 166 C 8.91 4.44 0.00 2.97 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 0.00 167 A 8.54 3.88 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 0.00 168 I 7.33 3.74 1.85 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 1.45 0.88 0.81 0.00 0.00 169 T 8.31 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 170 P 0.00 4.23 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 171 D 8.05 4.34 0.00 2.77 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 0.00 172 H 8.07 4.18 0.00 3.15 3.42 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.30 3.95 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 0.00 174 V 7.59 3.55 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 0.87 0.00 0.00 1.04 0.00 0.00 175 L 7.76 4.15 0.00 1.81 1.71 0.92 1.14 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 0.00 176 I 7.76 3.74 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.36 0.91 0.00 0.00 177 N 8.22 4.53 0.00 2.90 2.89 0.00 0.00 7.03 7.18 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 0.00 178 R 7.61 4.57 0.00 1.99 1.97 0.00 3.15 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 179 Q 7.45 4.28 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 180 N 8.24 4.10 0.00 2.78 2.84 0.00 0.00 7.21 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 0.00 181 R 7.81 5.11 0.00 1.84 1.97 0.00 3.33 0.00 0.00 3.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 182 S 9.40 4.69 0.00 3.72 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 0.00 183 G 8.03 4.90 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 0.00 0.00 0.00 184 S 8.76 4.89 0.00 3.93 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 *186 I 8.61 3.97 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.95 0.00 0.00 187 Q 8.43 4.71 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 188 S 8.48 4.20 0.00 4.09 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 0.00 189 G 8.51 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 *191 S 7.51 4.70 0.00 3.95 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 *193 F 8.38 4.92 0.00 3.13 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 0.00 194 I 7.65 4.80 1.79 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.86 0.00 0.00 195 L 8.33 4.87 0.00 1.43 1.28 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 196 E 9.97 5.93 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 197 T 8.52 5.31 4.36 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 1.29 0.00 0.00 198 E 8.92 4.70 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 199 P 0.00 4.47 0.00 2.32 1.86 0.00 3.84 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 2.43 2.04 0.00 200 A 8.56 4.52 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 0.00 201 G 8.11 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 7.38 4.26 0.00 3.23 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 7.59 3.75 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 0.83 0.00 0.00 0.91 0.00 0.00 204 L 7.53 3.75 0.00 1.28 1.38 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 205 K 7.94 3.91 0.00 1.96 1.99 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.61 7.81 206 A 7.82 4.00 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 0.00 207 A 8.23 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 N 7.96 4.19 0.00 2.96 2.80 0.00 0.00 7.31 7.02 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 0.00 209 E 8.28 3.97 0.00 2.03 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 2.48 2.48 0.00 210 A 8.35 3.94 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 0.00 211 E 8.17 3.95 0.00 1.94 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 0.00 2.30 2.33 0.00 212 K 7.75 4.09 0.00 2.01 1.85 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 213 S 7.70 4.39 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 0.00 214 A 6.84 4.53 1.18 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 0.00 215 N 8.43 4.61 0.00 2.66 2.75 0.00 0.00 6.79 7.94 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 0.00 216 I 7.70 4.78 1.98 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 1.33 0.70 0.90 0.00 0.00 217 T 8.78 4.77 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 1.22 0.00 0.00 218 I 9.27 4.20 1.81 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 1.14 0.58 0.57 0.00 0.00 219 I 8.71 4.22 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.92 0.00 0.00 220 D 7.51 4.78 0.00 2.56 2.54 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 0.00 221 V 8.30 4.36 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 0.60 0.00 0.00 0.39 0.00 0.00 222 K 9.31 4.50 0.00 1.72 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.56 7.81 223 A 8.44 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 V 8.49 4.51 2.23 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 0.99 0.00 0.00 1.29 0.00 0.00 225 G 8.84 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 A 8.52 4.31 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 0.00 227 F 8.22 5.04 0.00 2.96 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 0.00 228 G 9.06 4.27 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 0.00 229 R 9.08 5.19 0.00 1.72 1.79 0.00 3.11 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 230 L 9.18 5.06 0.00 1.65 1.42 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 231 T 8.84 5.02 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 1.19 0.00 0.00 232 L 9.14 5.40 0.00 1.64 1.63 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 233 A 9.55 4.83 1.21 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 0.00 0.00 234 G 7.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 K 8.07 4.16 0.00 1.99 1.74 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 236 E 8.92 3.99 0.00 2.03 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 2.44 2.40 0.00 237 G 8.05 3.61 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 0.00 238 D 8.03 4.35 0.00 2.84 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 0.00 239 V 8.24 3.56 2.23 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 1.19 0.00 0.00 1.05 0.00 0.00 240 E 8.47 3.90 0.00 2.19 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 2.30 2.40 0.00 241 E 8.21 3.85 0.00 2.11 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 2.29 2.44 0.00 242 A 8.11 3.84 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 0.00 243 A 7.88 2.58 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 0.00 244 A 7.80 3.81 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 0.00 245 A 8.06 3.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 A 7.70 3.91 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 0.00 247 I 7.70 3.68 1.84 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.98 0.91 0.00 0.00 248 R 8.08 3.90 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 249 A 8.08 4.05 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 0.00 250 I 7.79 3.71 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.89 0.00 0.00 251 D 8.45 4.31 0.00 2.81 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 0.00 252 Q 8.25 4.01 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 253 I 7.67 3.90 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 0.65 0.00 0.00 254 S 7.70 4.18 0.00 3.87 3.90 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 0.00 255 N 7.68 4.89 0.00 2.72 2.82 0.00 0.00 6.97 7.62 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 0.00 256 Y 7.64 4.34 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.