NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 177 N 4.5397 8.4244 118.1254 53.0188 39.0891 171.9287 *179 V 3.7240 7.6162 118.9919 62.2865 32.8026 174.8803 180 K 4.2951 8.5210 126.4752 55.1028 32.1495 176.1602 181 V 4.0499 8.1053 124.4943 60.8009 32.4345 174.1508 182 P 4.4774 0.0000 0.0000 62.2278 31.9256 176.0539 183 E 4.1578 8.3664 119.7163 56.0110 30.0856 176.7914 184 C 4.2721 8.5439 122.3505 59.8050 32.4035 173.7403 185 R 4.7087 8.2220 123.2282 55.3981 30.0820 177.7295 186 L 3.9000 8.2861 121.4493 59.2663 42.1575 177.3526 187 A 3.9689 7.9098 120.1369 55.3820 18.4465 179.0853 188 D 4.3240 8.0720 116.8137 57.7626 40.9787 178.9041 189 E 4.0538 8.1679 118.6943 59.3136 29.4100 179.4164 190 L 4.2718 8.2794 119.3760 57.4832 41.5908 179.6387 191 G 3.8319 8.4809 106.3417 47.7812 0.0000 175.9653 192 G 3.6360 8.2272 108.2257 47.3112 0.0000 175.2925 193 L 4.0196 7.9794 122.7878 57.9355 41.8693 179.0634 194 W 3.9847 7.9232 126.6814 60.4865 30.6146 177.5647 195 E 3.6262 8.1918 117.6902 58.8999 28.9619 178.3788 196 N 4.4342 8.3266 114.9860 52.6209 40.3277 175.1859 197 S 3.6390 7.3859 115.0069 59.3571 60.5641 171.4148 198 R 4.3507 7.6006 118.7720 55.3803 32.8063 175.1134 199 F 3.8053 7.8270 120.8585 58.8741 36.4812 175.9292 200 T 4.2080 7.7141 115.4762 63.6566 69.2539 174.6741 201 D 5.0645 8.5151 122.3388 52.9272 41.0244 174.6437 202 C 4.9422 7.8055 113.1682 57.4587 33.6005 172.0536 203 C 5.3742 9.3951 120.2988 57.7094 34.2957 172.3813 204 L 5.1355 9.5176 126.7723 53.5324 43.5386 175.2024 205 C 4.9669 9.1355 123.1998 58.3412 29.9925 173.1904 206 V 4.5227 9.3070 124.9478 59.6994 33.3406 175.5657 207 A 3.7370 9.5844 133.7346 53.2978 15.8555 177.6145 208 G 4.0011 8.2134 107.8512 45.8997 0.0000 173.4125 209 Q 4.3557 8.0390 120.0410 54.5738 29.9719 174.2268 210 E 5.0285 8.2672 122.1628 55.0798 31.4651 175.5336 211 F 4.8115 9.1984 122.0155 55.8230 42.8611 174.2362 212 Q 4.8603 8.8869 122.4135 55.9413 30.0467 175.2292 213 A 4.9306 8.7144 122.7237 51.6818 23.3563 173.9810 214 H 5.1273 9.0574 112.9898 53.6739 31.6377 174.5652 215 K 3.1774 9.4406 125.3535 59.4833 31.8727 178.9457 216 A 3.9520 7.8902 120.0435 55.3263 18.1014 179.6721 217 I 3.4891 7.4964 117.4985 64.4822 37.3126 178.4674 218 L 3.8813 7.7029 119.5978 57.8111 41.1704 179.5668 219 A 4.3308 8.6172 119.8537 55.0334 18.4296 179.2151 220 A 4.1247 8.0564 118.1238 54.1600 18.5645 178.8866 221 R 4.6094 7.6347 114.6449 54.9965 31.9331 175.9901 222 S 4.6926 7.9806 113.4797 55.1336 64.6975 172.8261 223 P 4.5899 0.0000 0.0000 65.1249 30.7815 178.9701 224 V 3.4913 7.5681 116.3689 66.0356 31.7234 177.5894 225 F 4.3149 8.0607 116.3128 60.3647 39.0098 177.2460 226 S 4.4542 8.7970 113.0903 61.3566 62.1679 177.4913 227 A 4.3002 7.9059 122.2810 52.5281 18.0179 179.1966 *229 F 4.9125 8.0640 121.7182 59.2302 41.1171 176.5856 230 E 4.0837 8.4731 120.6799 58.5746 30.0654 176.6326 231 H 5.1408 8.1694 113.8051 54.5697 28.8904 172.4166 232 E 4.6264 7.5360 117.4814 54.6233 34.1028 176.4682 *234 E 4.1095 8.3343 119.1963 56.3744 29.5684 176.3184 235 E 4.1317 8.4035 125.1120 57.9658 30.1660 178.6047 236 S 4.1772 8.1754 112.4733 60.6651 63.2641 175.6270 237 K 4.0787 8.2022 121.3168 57.9421 32.4016 177.5946 238 K 3.6841 8.8515 115.7551 58.0105 29.4567 175.3569 239 N 4.2420 8.1734 109.5540 54.3489 36.3823 173.9880 240 R 5.0658 7.6773 117.7909 54.9222 31.4946 175.0283 241 V 4.5170 8.8577 128.1279 61.1430 33.5995 174.0482 242 E 5.0126 8.8872 126.4298 55.0271 31.1318 175.1897 243 I 4.4375 8.7490 126.5320 60.0625 38.2700 176.2310 244 N 4.8353 9.0905 124.1194 53.5726 40.2337 175.0744 245 D 4.9262 8.0652 116.2917 52.5853 39.9193 176.0989 246 V 4.4973 7.4512 118.0378 61.0249 34.7025 174.6843 247 E 4.2354 8.8319 126.5981 55.3157 31.3605 175.8883 248 P 4.2951 0.0000 0.0000 66.1311 31.4048 178.5048 249 E 4.0345 8.2539 117.2252 59.3367 29.3984 178.8435 250 V 3.6069 7.7438 117.0240 65.6143 31.7314 177.2624 251 F 4.1341 8.3713 120.1564 61.3783 39.3221 176.8900 252 K 4.0707 7.9497 116.4763 58.7172 33.3494 178.4460 253 E 4.1352 7.6200 120.8710 55.9189 26.2910 176.0001 *256 C 4.1856 7.9043 122.8541 58.7534 34.0855 175.6001 257 F 4.7052 8.1263 120.8764 60.8259 39.2226 177.0933 258 I 3.4078 7.7696 119.7091 64.4536 36.9802 176.8850 259 Y 4.0518 7.7962 116.3672 59.6382 38.0794 176.1332 260 T 4.3658 7.7422 106.7983 60.0900 70.2367 175.0808 261 G 3.3003 8.4599 110.3115 45.1743 0.0000 172.9835 262 K 4.8001 7.6637 117.6038 54.6821 35.7539 175.7022 263 A 5.0971 8.0330 122.0625 50.0768 19.5239 174.8306 264 P 4.2994 0.0000 0.0000 64.6366 32.2356 177.3723 265 N 4.9589 8.7172 114.2569 52.7712 39.0077 176.2534 266 L 4.0379 7.9110 123.2584 58.3664 42.2895 177.9650 267 D 4.5610 8.3262 117.1642 57.3165 40.7287 177.2977 268 K 4.2460 7.3996 114.8834 57.3277 33.4339 178.0092 *270 A 4.3733 8.2007 123.7318 53.3383 20.5472 179.6137 271 D 4.3118 8.0019 115.3992 56.9499 39.5617 178.4121 272 D 4.3478 7.9835 120.2960 56.5415 40.8400 178.3669 273 L 3.9049 7.7954 120.6343 57.8316 42.1556 178.4207 274 L 3.8057 8.0098 120.1724 58.0847 41.9710 178.9040 275 A 3.5782 7.6624 120.1250 54.9441 18.3315 179.3692 276 A 4.0228 8.0879 119.0932 55.4354 18.4655 179.7434 277 A 3.9335 8.6181 119.6016 55.1102 18.3834 179.3628 278 D 4.1508 8.3924 116.9695 57.5006 41.1837 178.2298 279 K 3.7312 8.1711 119.0401 59.1494 32.0766 177.2482 280 Y 4.0893 7.7767 113.5801 56.3143 38.3764 175.2091 281 A 3.7469 7.6635 121.1004 53.4032 17.0114 180.1194 282 L 4.4691 8.0327 121.4573 53.8964 39.5860 175.9510 283 E 3.8600 8.2789 123.7779 59.5785 29.6599 178.1506 284 R 3.9054 7.9236 116.3753 59.2713 30.3293 177.6897 285 L 3.4635 7.2266 118.8486 57.4370 42.1649 178.3198 286 K 3.9531 7.9012 119.6991 59.3409 32.1791 181.3488 287 V 4.0006 7.5903 119.0025 62.8969 31.3791 177.5806 *289 C 4.4186 8.1192 116.0733 59.4649 30.3637 176.1648 290 E 3.9090 8.2279 119.1284 59.3816 28.9623 178.9206 291 D 4.2376 8.4146 118.0236 57.3445 41.1174 178.1746 292 A 3.9794 7.8293 119.2045 55.2568 18.7432 179.1425 293 L 4.0310 8.2209 117.8574 57.9539 41.7191 179.2449 294 C 4.0338 8.5037 119.1548 62.5505 31.3009 175.5915 295 S 4.3062 8.0419 114.9069 60.2118 62.5346 175.0714 296 N 4.7767 7.5107 117.5978 51.5093 39.0907 174.9985 297 L 3.8715 6.8224 121.4720 55.1133 42.2187 176.7424 298 S 4.8520 8.6232 116.7153 56.2617 66.1862 175.1718 299 V 3.8892 8.7652 120.9313 65.9467 31.3248 177.0723 300 E 4.2712 8.2537 118.1895 57.8600 29.8319 177.1898 301 N 4.8799 7.8774 114.1363 52.1222 38.3748 176.0767 302 A 3.8740 8.1494 124.2539 55.5843 18.4688 179.3743 303 A 3.9403 8.0212 118.3021 55.2751 18.5476 179.1948 304 E 3.8648 8.1352 117.2142 59.6206 29.7214 178.9586 305 I 3.6716 7.9719 119.9886 64.1100 37.0078 177.9838 306 L 3.9270 8.3005 121.6220 58.4912 41.8935 179.1921 307 I 3.6924 7.5923 119.0216 64.1399 36.8567 178.0231 308 L 3.9046 7.8336 120.9862 58.3438 41.9240 179.0861 309 A 4.0189 8.2474 120.4368 54.9683 17.9831 179.3396 310 D 4.3353 7.5164 117.2110 57.3723 41.1224 178.6820 311 L 4.1391 7.7979 118.3510 56.7547 41.5321 177.5686 312 H 5.2508 7.3292 114.2810 54.2225 29.8588 174.3087 313 S 3.5948 8.0723 111.9370 59.6990 60.1491 175.2263 314 A 4.5452 8.1844 123.3100 50.1359 17.7714 176.4944 315 D 4.2948 8.1769 123.0024 57.6146 41.4914 178.1254 316 Q 3.9726 8.0965 117.5726 59.0140 28.7570 178.9797 317 L 3.9213 8.5811 121.6246 57.9162 42.1743 178.6746 318 K 3.8640 8.5959 119.8455 59.9329 32.1913 178.4521 319 T 3.8923 8.0906 115.9111 67.2187 68.5360 176.5704 320 Q 4.0824 8.0682 118.6615 58.5790 28.6380 178.6662 321 A 4.0535 8.0209 122.2527 54.9019 18.3775 179.8594 322 V 3.5803 8.3206 117.1827 66.3761 31.7051 177.9768 323 D 4.3955 8.2189 118.6457 57.3012 40.6289 178.5316 324 F 4.1039 8.2997 121.0027 61.3451 39.2591 176.9157 325 I 3.7950 7.9547 118.2745 64.7726 37.1940 177.6124 326 N 4.3983 8.4600 117.1566 56.6928 38.2218 176.3739 327 Y 4.1093 7.7800 119.4975 61.0566 39.3227 178.0388 328 H 4.4271 7.9108 115.0795 55.8500 29.1105 175.3063 329 A 4.2600 7.3673 128.7566 52.3008 19.0090 177.5776 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 177 N 8.42 4.54 0.00 2.73 2.86 0.00 0.00 6.84 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *179 V 7.62 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 180 K 8.52 4.30 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.41 7.81 181 V 8.11 4.05 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 0.80 0.00 0.00 0.93 0.00 0.00 182 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 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 2.02 2.10 0.00 183 E 8.37 4.16 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 184 C 8.54 4.27 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 8.22 4.71 0.00 1.98 2.06 0.00 3.03 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 186 L 8.29 3.90 0.00 1.76 1.68 0.90 0.92 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 0.00 187 A 7.91 3.97 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 0.00 188 D 8.07 4.32 0.00 2.71 2.75 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 0.00 189 E 8.17 4.05 0.00 2.07 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 2.34 2.70 0.00 190 L 8.28 4.27 0.00 1.94 1.89 0.89 0.65 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 0.00 191 G 8.48 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 0.00 0.00 0.00 0.00 192 G 8.23 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 L 7.98 4.02 0.00 1.89 2.13 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 194 W 7.92 3.98 0.00 1.78 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 0.00 195 E 8.19 3.63 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 196 N 8.33 4.43 0.00 2.73 2.82 0.00 0.00 7.18 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.39 3.64 0.00 3.87 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 0.00 198 R 7.60 4.35 0.00 1.79 1.97 0.00 3.36 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.43 0.00 199 F 7.83 3.81 0.00 3.30 3.14 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 0.00 200 T 7.71 4.21 4.19 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 1.40 0.00 0.00 201 D 8.52 5.06 0.00 2.58 2.69 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 0.00 202 C 7.81 4.94 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 C 9.40 5.37 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 9.52 5.14 0.00 1.82 1.65 1.27 0.97 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 0.00 205 C 9.14 4.97 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 V 9.31 4.52 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 1.06 0.00 0.00 -0.15 0.00 0.00 207 A 9.58 3.74 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 G 8.21 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 0.00 209 Q 8.04 4.36 0.00 2.48 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 210 E 8.27 5.03 0.00 1.71 1.80 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 2.25 2.29 0.00 211 F 9.20 4.81 0.00 3.23 3.28 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 0.00 212 Q 8.89 4.86 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 213 A 8.71 4.93 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 0.00 214 H 9.06 5.13 0.00 3.26 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 K 9.44 3.18 0.00 1.45 1.33 0.00 1.40 0.00 0.00 1.17 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.11 7.81 216 A 7.89 3.95 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 0.00 217 I 7.50 3.49 1.61 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 1.43 0.49 0.10 0.00 0.00 218 L 7.70 3.88 0.00 1.83 1.36 0.24 0.57 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 0.00 219 A 8.62 4.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.06 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 R 7.63 4.61 0.00 1.72 1.96 0.00 2.96 0.00 0.00 2.93 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 222 S 7.98 4.69 0.00 4.03 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 0.00 223 P 0.00 4.59 0.00 2.19 2.10 0.00 3.67 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 2.13 2.17 0.00 224 V 7.57 3.49 1.85 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 0.52 0.00 0.00 0.77 0.00 0.00 225 F 8.06 4.31 0.00 3.31 3.14 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 0.00 226 S 8.80 4.45 0.00 4.24 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 0.00 227 A 7.91 4.30 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 *229 F 8.06 4.91 0.00 3.19 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 0.00 230 E 8.47 4.08 0.00 2.11 1.64 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 2.23 2.18 0.00 231 H 8.17 5.14 0.00 3.23 3.20 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 E 7.54 4.63 0.00 1.97 1.85 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 2.23 2.27 0.00 *234 E 8.33 4.11 0.00 2.05 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 2.32 2.27 0.00 235 E 8.40 4.13 0.00 2.02 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 2.40 2.32 0.00 236 S 8.18 4.18 0.00 4.03 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 0.00 237 K 8.20 4.08 0.00 1.95 1.95 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.60 7.81 238 K 8.85 3.68 0.00 1.91 1.94 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.61 7.81 239 N 8.17 4.24 0.00 2.94 2.99 0.00 0.00 6.44 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 0.00 240 R 7.68 5.07 0.00 1.97 1.97 0.00 3.26 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 241 V 8.86 4.52 2.29 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 1.20 0.00 0.00 1.14 0.00 0.00 242 E 8.89 5.01 0.00 2.03 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 2.24 2.36 0.00 243 I 8.75 4.44 1.80 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 1.06 0.00 0.00 244 N 9.09 4.84 0.00 2.71 2.87 0.00 0.00 7.09 8.06 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 0.00 245 D 8.07 4.93 0.00 2.80 2.76 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 0.00 246 V 7.45 4.50 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 0.92 0.00 0.00 1.14 0.00 0.00 247 E 8.83 4.24 0.00 2.09 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 2.43 0.00 248 P 0.00 4.30 0.00 2.26 2.34 0.00 3.66 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 2.21 2.27 0.00 249 E 8.25 4.03 0.00 2.09 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 2.43 2.43 0.00 250 V 7.74 3.61 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 nan 0.00 0.00 0.95 0.00 0.00 251 F 8.37 4.13 0.00 2.92 3.14 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 0.00 252 K 7.95 4.07 0.00 2.04 2.01 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.51 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.75 1.73 7.81 253 E 7.62 4.14 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 2.29 2.35 0.00 *256 C 7.90 4.19 0.00 3.08 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 0.00 257 F 8.13 4.71 0.00 3.22 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 0.00 258 I 7.77 3.41 1.73 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 1.48 0.75 0.60 0.00 0.00 259 Y 7.80 4.05 0.00 2.70 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 0.00 260 T 7.74 4.37 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 261 G 8.46 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 K 7.66 4.80 0.00 1.81 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.33 7.81 263 A 8.03 5.10 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 0.00 264 P 0.00 4.30 0.00 2.08 2.17 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 265 N 8.72 4.96 0.00 2.92 2.79 0.00 0.00 6.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 L 7.91 4.04 0.00 1.64 1.82 0.88 1.22 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 0.00 267 D 8.33 4.56 0.00 2.70 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 0.00 268 K 7.40 4.25 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.39 7.81 *270 A 8.20 4.37 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 0.00 271 D 8.00 4.31 0.00 2.87 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 0.00 272 D 7.98 4.35 0.00 2.70 2.75 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 0.00 273 L 7.80 3.90 0.00 1.71 1.60 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 274 L 8.01 3.81 0.00 1.85 1.78 0.90 1.07 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 0.00 275 A 7.66 3.58 1.11 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 0.00 0.00 276 A 8.09 4.02 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 0.00 277 A 8.62 3.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 D 8.39 4.15 0.00 2.79 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 0.00 279 K 8.17 3.73 0.00 1.62 2.06 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.08 0.63 7.81 280 Y 7.78 4.09 0.00 2.90 2.76 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 0.00 281 A 7.66 3.75 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 0.00 282 L 8.03 4.47 0.00 1.56 1.57 0.99 0.94 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 0.00 283 E 8.28 3.86 0.00 2.08 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 2.39 2.47 0.00 284 R 7.92 3.91 0.00 1.94 2.20 0.00 3.37 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 285 L 7.23 3.46 0.00 0.27 1.12 0.50 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 286 K 7.90 3.95 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.40 7.81 287 V 7.59 4.00 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 1.05 0.00 0.00 0.91 0.00 0.00 *289 C 8.12 4.42 0.00 3.19 3.04 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 0.00 290 E 8.23 3.91 0.00 2.19 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 2.30 2.48 0.00 291 D 8.41 4.24 0.00 2.74 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 0.00 292 A 7.83 3.98 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 0.00 293 L 8.22 4.03 0.00 1.64 1.68 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 294 C 8.50 4.03 0.00 3.04 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 0.00 295 S 8.04 4.31 0.00 4.01 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 0.00 296 N 7.51 4.78 0.00 2.77 2.79 0.00 0.00 6.97 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 297 L 6.82 3.87 0.00 1.32 0.36 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 298 S 8.62 4.85 0.00 4.00 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 0.00 299 V 8.77 3.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.81 0.00 0.00 300 E 8.25 4.27 0.00 2.02 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 2.32 2.33 0.00 301 N 7.88 4.88 0.00 2.89 2.99 0.00 0.00 6.70 8.72 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 0.00 302 A 8.15 3.87 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 0.00 0.00 0.00 0.00 0.00 303 A 8.02 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 304 E 8.14 3.86 0.00 2.05 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 0.00 2.37 2.41 0.00 305 I 7.97 3.67 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.86 0.00 0.00 306 L 8.30 3.93 0.00 1.79 1.90 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 307 I 7.59 3.69 2.00 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 1.40 0.52 0.90 0.00 0.00 308 L 7.83 3.90 0.00 1.90 1.84 1.00 1.12 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 0.00 309 A 8.25 4.02 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 0.00 310 D 7.52 4.34 0.00 2.71 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 0.00 311 L 7.80 4.14 0.00 1.34 1.52 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 312 H 7.33 5.25 0.00 3.05 3.22 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 S 8.07 3.59 0.00 3.95 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 0.00 314 A 8.18 4.55 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 0.00 315 D 8.18 4.29 0.00 2.69 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 0.00 316 Q 8.10 3.97 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 317 L 8.58 3.92 0.00 1.79 1.81 0.93 0.28 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 0.00 318 K 8.60 3.86 0.00 1.84 1.98 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 319 T 8.09 3.89 4.24 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 1.22 0.00 0.00 320 Q 8.07 4.08 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 321 A 8.02 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 0.00 322 V 8.32 3.58 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 1.14 0.00 0.00 0.96 0.00 0.00 323 D 8.22 4.40 0.00 2.87 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 0.00 324 F 8.30 4.10 0.00 3.33 3.28 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 0.00 325 I 7.95 3.80 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.04 0.96 0.00 0.00 326 N 8.46 4.40 0.00 2.90 2.90 0.00 0.00 6.70 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 Y 7.78 4.11 0.00 2.89 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 0.00 328 H 7.91 4.43 0.00 2.98 3.12 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 A 7.37 4.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.