NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 E 4.3291 8.4444 121.4815 56.3318 31.6280 175.4131 31 Y 3.2981 7.7386 119.6473 54.0653 39.1916 173.0126 32 P 4.2523 0.0000 0.0000 63.0577 32.4597 174.9066 33 T 4.7503 8.3470 110.5828 59.4105 71.5067 175.0930 34 V 3.7546 8.2428 113.2680 64.3126 31.7512 179.1487 35 S 4.1280 7.9056 115.6658 61.8911 62.6283 175.2199 36 E 4.3535 7.6808 115.4184 56.3498 28.9980 176.6445 37 I 4.4908 7.2234 119.8899 58.9302 40.0115 173.4369 38 P 4.4241 0.0000 0.0000 61.3277 32.1012 176.0286 39 V 3.9615 7.7249 121.4145 64.5316 31.3977 175.8295 40 G 4.1673 8.9283 114.6601 44.7089 0.0000 172.6550 41 E 4.7194 8.1718 118.7887 54.4937 32.1524 175.1938 42 V 4.7932 7.9640 118.8238 61.3688 35.0038 174.6313 43 R 4.7748 8.9766 124.9312 54.4142 33.5046 174.5676 44 L 5.1953 8.5161 121.9864 53.4518 44.4169 175.4098 45 Y 4.4893 8.8609 122.7530 56.0793 42.1608 173.8862 *47 Q 4.1749 8.7012 126.8264 56.1116 29.9228 174.4315 48 I 3.9875 8.3023 126.1458 63.3313 38.2301 175.1539 49 A 4.4193 7.0428 120.6308 50.9355 21.7613 174.1285 50 D 4.2437 8.5053 118.8178 55.7044 41.4607 176.1245 51 G 3.6567 8.4096 113.7042 45.9393 0.0000 172.2648 52 V 4.9418 6.7571 118.6395 60.7783 34.9425 174.2722 53 W 5.7570 9.8908 126.9818 55.0575 33.9767 174.0982 54 S 5.4029 9.5910 116.5706 56.9300 65.7679 172.4938 55 H 5.4676 8.7591 117.2708 54.0089 31.2480 173.0096 56 I 5.2629 9.1264 121.7643 59.7076 40.6055 174.5104 57 A 5.4191 9.0383 127.4892 50.5191 23.2968 174.1518 58 T 5.2304 8.1611 106.7951 60.7684 73.0705 172.8090 59 Q 4.3221 8.3050 121.3082 54.9017 32.6166 173.8734 60 S 4.8251 8.4843 122.2118 58.8661 64.1127 174.4779 61 F 4.2924 10.0506 126.0929 58.4582 40.3257 173.2132 62 D 4.1806 9.2075 130.1775 55.3111 39.2308 173.1930 63 G 4.1580 8.8681 107.0531 45.2611 0.0000 174.4201 64 A 4.3371 7.6882 121.2694 50.3467 20.7562 175.7686 *66 V 4.5190 7.9305 118.0456 63.1167 32.6634 174.1618 67 Y 4.9456 8.7270 124.3681 55.6267 41.1527 173.6185 68 P 5.3342 0.0000 0.0000 62.5562 33.7707 174.8971 69 S 4.9129 8.9827 113.8345 57.4101 66.0769 172.5578 70 N 5.6177 9.1809 124.7400 51.8840 40.9554 174.0395 71 G 3.8655 8.5371 107.8348 44.5709 0.0000 170.6618 72 L 5.2944 8.2459 120.4760 53.0998 45.9009 175.1751 73 I 5.1195 9.0839 123.6606 59.6575 41.3949 174.5026 74 V 4.9636 8.9125 126.6803 60.7292 34.4477 174.6133 75 R 4.4053 9.2094 129.5480 56.8597 30.6530 176.3182 76 D 4.8248 9.4313 126.3880 52.1401 42.4937 177.4521 77 G 3.9918 8.3711 117.9194 46.3988 0.0000 171.6669 78 D 4.9014 9.1929 119.7439 53.4204 41.4343 174.6694 79 E 4.7952 7.9952 117.6779 54.6435 33.0688 173.6544 80 L 5.2211 8.8231 117.5566 52.9452 45.6486 175.6390 81 L 5.0281 8.7437 124.5578 53.3603 44.2967 174.5814 82 L 4.9757 8.9347 128.7943 53.5426 44.5899 174.8827 83 I 4.6869 8.8430 127.2165 60.4135 39.0856 173.4160 84 D 4.8866 9.4768 131.6534 53.6546 40.9899 174.3952 85 T 4.2764 7.9447 111.8351 61.3763 70.1382 174.1810 86 A 4.6281 8.1437 122.0051 51.8255 19.2898 176.6909 87 W 3.5338 8.3274 128.2415 57.0330 28.7308 173.0258 88 G 4.2724 8.8962 108.5591 43.5535 0.0000 173.1072 89 A 3.9656 8.9273 123.0161 54.9025 18.4763 180.2182 90 K 3.8752 7.9811 117.5616 59.8209 32.2518 178.5172 91 N 4.3465 8.1294 116.2114 56.7977 38.5059 177.4275 92 T 3.9306 8.3073 116.9983 66.3421 68.5071 176.8300 93 A 4.0057 8.2416 122.7880 54.9998 18.3960 179.5652 94 A 3.9724 8.0423 119.4347 54.8927 18.3918 179.6018 95 L 3.8405 7.9943 119.1192 58.2782 42.1317 179.3016 96 L 3.8771 7.9076 118.6241 57.7023 41.3705 179.2303 97 A 3.9270 7.6978 119.3643 55.3198 18.4323 179.1691 98 E 3.9751 8.5116 116.4172 58.8055 29.9181 178.6812 99 I 3.8065 7.4891 120.1831 63.9960 37.3727 177.6623 100 E 3.8202 8.6648 120.4870 58.7205 29.0899 177.9289 *102 K 4.6171 7.6064 117.1000 55.7652 33.3807 175.4993 103 Q 4.5971 7.8412 115.4319 55.3694 32.9711 175.0161 104 I 4.2751 7.7188 116.4704 59.9940 39.5985 176.7476 105 G 3.9267 8.1680 105.5551 45.9773 0.0000 172.4994 106 L 4.8705 7.0581 117.3550 51.7613 43.9743 174.7807 107 P 4.2232 0.0000 0.0000 62.7764 32.9597 175.4835 *109 V 4.3493 8.2694 122.0428 63.4763 31.6587 174.4458 110 T 4.4381 8.6181 119.3190 63.0176 70.6627 174.9271 111 R 5.4558 7.8744 118.6079 54.5141 35.2159 174.0758 112 A 5.2750 9.2916 121.5939 50.5565 23.2574 175.3021 113 V 4.8650 8.9610 120.3698 61.2337 34.8365 174.3692 114 S 5.2939 8.6013 124.3480 57.2512 63.7867 174.8789 115 T 4.1302 10.1649 116.3123 64.0131 68.8541 173.6845 116 H 5.1285 7.4777 116.3590 54.5923 30.6906 174.1751 117 F 4.2187 9.1825 114.6094 58.5765 38.0003 175.7324 118 H 4.1547 6.8175 119.4371 55.2460 29.3194 175.6586 119 D 4.3422 8.6688 121.4116 57.5701 40.9831 177.8138 120 D 4.0752 7.4878 115.3071 53.8723 39.7325 176.5782 121 R 4.4437 8.1472 119.3733 56.5980 32.5108 177.4770 122 V 4.2170 7.5328 108.5013 60.8329 33.4677 175.3100 123 G 3.9561 8.1378 110.4274 48.8809 0.0000 173.7525 124 G 3.9543 9.4515 114.2255 45.1154 0.0000 175.1838 125 V 3.6471 8.3498 120.6035 66.1312 31.4095 177.6083 126 D 4.3463 10.0640 119.2839 57.0959 40.6559 178.9507 127 V 3.6013 7.6100 118.4514 65.8762 31.6549 177.8783 128 L 3.9749 7.9377 118.7688 57.8008 41.2682 179.4303 129 R 4.0375 8.0420 117.2597 59.5765 30.1197 178.0529 130 A 4.1337 7.9651 118.9160 54.8346 18.4887 178.4860 131 A 4.3401 7.8164 117.2114 52.8873 18.5059 178.7476 *133 G 4.0933 7.6143 105.0818 45.0309 0.0000 173.0994 134 V 3.9813 7.8236 120.1800 62.1495 32.5402 175.5575 135 A 4.5068 9.0768 130.6358 51.6713 19.5331 176.2221 136 T 4.9484 8.5365 113.2775 61.4448 71.0534 173.6463 137 Y 5.3586 9.0885 121.8672 56.6283 42.4457 174.1137 138 A 4.7544 8.3216 120.8616 51.3179 23.5333 176.4359 139 S 4.8077 8.2076 113.3886 56.6553 64.2635 173.7474 140 P 4.1998 0.0000 0.0000 65.5391 30.9137 178.9632 141 S 3.9604 7.8555 111.6425 61.6836 62.2726 176.2388 142 T 4.0488 7.8066 118.3549 66.6639 68.1525 176.8824 143 R 3.8934 8.0762 120.0070 59.1637 30.0953 178.9985 144 R 3.8011 8.2564 118.7572 59.6165 30.1209 178.6498 145 L 3.6128 7.8311 118.3643 57.2843 41.1239 179.4677 146 A 4.1699 8.0111 120.5314 55.1032 18.6763 178.9730 147 E 4.0077 8.2789 117.9125 59.5418 29.5436 179.1241 148 V 3.5657 7.5842 116.9120 65.9561 31.6184 177.0958 149 E 4.2550 8.1698 117.3452 56.8471 29.6884 177.4018 150 G 3.7387 7.8646 106.9519 46.4450 0.0000 172.6405 *165 N 4.9764 7.6044 115.1356 52.4655 39.7268 173.8698 166 E 4.1266 8.5658 118.3591 56.6539 29.9947 176.9489 167 I 4.4491 7.9807 122.3939 58.6215 39.1833 174.0425 168 P 4.3727 0.0000 0.0000 63.0836 31.9145 176.6654 169 T 3.9874 8.6483 120.2944 67.1534 68.7997 174.9195 170 H 4.4287 8.6989 118.6668 55.1653 30.4311 174.2834 171 S 5.2012 8.4268 116.4953 56.9993 64.6600 173.8387 172 L 4.6112 8.8292 125.2073 53.3899 42.5102 176.3868 173 E 4.1422 8.8459 123.7820 56.6551 30.6336 176.8359 174 G 3.9419 8.8037 106.9825 46.4965 0.0000 173.9566 175 L 4.7998 7.7541 115.9469 54.0589 42.7547 177.7806 176 S 4.0314 8.1179 114.5519 59.4816 63.7563 173.8203 177 S 4.8089 8.9835 117.3752 55.8527 63.7722 173.1573 178 S 3.8773 8.7197 122.6029 60.6888 62.9277 175.5592 179 G 3.9385 8.5233 113.8838 45.0252 0.0000 173.6250 180 D 4.6753 8.1825 120.4477 54.4923 41.9377 175.4481 181 A 5.4348 8.5028 122.6799 50.6894 22.5682 175.7217 182 V 4.6302 8.8997 113.2980 59.7290 36.6114 174.5071 183 R 4.7118 8.6915 124.0260 55.9859 31.3943 176.2247 184 F 4.6239 9.1661 127.6718 56.9283 41.2259 175.9002 185 G 3.6062 7.8846 120.2327 45.9921 0.0000 170.9025 186 P 4.5231 0.0000 0.0000 63.1617 31.2000 175.3046 187 V 4.7930 7.9130 112.2896 60.0835 36.8232 173.4438 188 E 5.1876 9.3858 122.5732 54.6564 32.3662 174.3806 189 L 5.2142 9.2268 126.8850 53.3474 44.1782 175.2788 190 F 5.3944 9.2782 124.9773 56.6930 43.2623 172.6887 191 Y 4.9181 8.2480 127.8900 55.4151 39.3803 174.2027 192 P 3.9086 0.0000 0.0000 62.6257 32.1781 175.4106 193 G 2.9580 6.1519 103.7558 42.6970 0.0000 173.1493 194 A 4.2846 8.1255 121.6336 52.2845 20.5267 174.2633 195 A 4.1962 8.8781 124.6131 52.5052 22.3558 178.1208 196 H 2.9486 8.1821 123.9398 57.7075 31.0626 173.9095 197 S 4.9870 8.2474 111.6242 56.2835 65.8942 175.0339 198 T 3.9806 8.5627 111.4139 63.9045 68.6918 174.7700 199 D 4.6722 7.9390 119.4635 52.4434 40.1976 176.1254 200 N 4.5928 7.6659 117.2354 53.6509 37.5555 174.1741 201 L 5.1495 8.4586 121.3960 53.1378 44.8953 176.0798 202 V 4.6494 8.9667 113.9817 59.6208 35.7275 174.7875 203 V 5.0624 9.0349 122.7048 61.3591 34.6830 173.6053 204 Y 5.0349 8.9957 128.3218 55.8609 42.1255 174.4931 205 V 3.8415 8.0167 127.5550 60.7314 31.5359 173.8243 *209 P 4.2651 0.0000 0.0000 62.3309 33.1396 178.7239 210 S 4.1095 8.0385 111.9903 60.0379 63.0232 174.4171 211 A 4.4008 7.3798 120.4231 52.3576 19.7916 176.3986 *215 S 4.6448 7.6269 111.5713 58.2918 64.9821 173.1676 216 V 4.6372 7.2953 119.6776 61.3100 33.5022 173.7898 217 L 5.1513 9.2608 130.7226 53.6302 44.3393 174.2072 218 Y 4.9420 9.6449 130.1083 56.3475 39.6443 176.2548 219 G 3.6551 9.0879 116.6416 45.0381 0.0000 174.5316 220 G 3.5465 6.1609 108.5433 45.7253 0.0000 173.9908 221 C 4.2954 8.4567 116.5427 61.0088 28.3073 174.3253 222 A 4.1299 7.4159 121.2344 53.4180 18.0575 177.5269 223 I 4.7133 7.7519 117.0889 59.6366 39.7774 174.5325 224 Y 4.7046 8.8334 123.6407 56.4806 39.1514 175.5284 225 E 4.3484 8.4239 120.3665 55.5967 30.8911 177.7423 226 L 3.6107 8.4008 119.9058 58.0350 41.7428 179.3434 227 S 4.0840 7.9292 113.0312 60.7486 62.8887 174.2426 228 R 4.1997 7.6268 120.5272 55.6992 28.6085 175.6570 229 T 4.2970 8.3953 120.3619 62.8943 67.9780 174.4188 230 S 4.7826 7.7273 113.5511 55.9300 66.1849 173.5066 231 A 4.5721 8.5688 124.4468 52.6286 19.9514 176.6133 232 G 4.2051 8.7524 115.5720 45.2619 0.0000 176.6315 233 N 4.7610 8.9918 124.6653 52.2375 39.4926 174.1270 234 V 4.4986 8.2989 117.7680 61.0881 32.7853 177.2071 235 A 4.0220 8.0697 125.4486 55.3930 18.1584 179.3899 236 D 4.8149 8.0518 112.4248 54.0357 41.2871 176.3507 237 A 4.4876 7.6632 122.1970 51.2790 19.4705 177.9731 238 D 4.9104 8.4609 119.7263 51.5297 40.8665 176.2693 239 L 4.2395 8.4903 122.7585 57.4060 42.2596 178.8173 240 A 4.1607 8.1998 120.1147 54.7479 18.6143 177.9006 241 E 4.4035 9.0149 114.4789 56.9629 30.8253 178.0039 242 W 4.3419 8.4484 129.4096 60.3585 30.6149 175.9779 243 P 4.3044 0.0000 0.0000 65.9837 30.8659 178.7516 244 T 3.9274 7.9248 114.0451 66.7683 68.4263 176.7965 245 S 4.4044 8.2857 118.5445 60.9957 62.7054 176.7751 246 I 3.8291 8.0643 122.7155 64.3545 36.8308 178.0307 247 E 3.9369 8.3737 120.1898 59.4126 29.4528 179.1435 248 R 4.1246 8.0915 117.9885 59.1497 30.0624 179.1442 249 I 3.8210 7.7180 119.5192 64.1650 36.8743 178.1774 250 Q 3.9353 8.0666 119.7319 59.4822 29.0538 178.1339 251 Q 4.0406 8.2253 118.0124 59.0195 28.7647 177.7952 252 H 3.9098 7.8031 118.2354 57.3906 31.0439 174.6676 253 Y 4.9036 7.7660 117.3766 55.1707 38.2484 174.9780 254 P 4.3872 0.0000 0.0000 64.7638 32.1572 177.2708 255 E 4.2173 8.0012 116.0756 56.4636 30.3896 176.0404 256 A 4.4067 7.6527 123.3754 53.3454 18.8463 177.0411 257 Q 4.5750 8.7289 120.3883 55.9538 31.4850 176.2012 258 F 5.4424 8.0069 117.4806 55.5818 42.4855 174.4414 259 V 4.9213 9.3831 123.9440 61.2658 34.1766 174.0658 260 I 4.7594 8.9194 130.2160 59.1852 38.2271 173.9478 261 P 4.7279 0.0000 0.0000 61.8859 32.7336 177.7336 262 G 3.7201 8.4025 109.2693 48.2958 0.0000 173.5992 263 H 4.9761 7.6492 116.8253 55.3333 32.7385 173.8910 264 G 3.9125 8.7519 110.0779 45.2068 0.0000 172.0114 265 L 3.3087 8.1129 119.3650 54.0586 41.9248 174.7484 *277 P 3.9838 0.0000 0.0000 63.1927 32.4809 176.2377 278 G 3.7493 8.8593 107.6384 46.4693 0.0000 170.4767 279 G 4.5798 8.1673 110.0437 44.8617 0.0000 174.0297 280 L 4.3344 8.7554 118.7006 56.9943 41.6031 178.6098 281 D 4.4783 8.1384 119.0171 55.9583 39.2483 178.2446 282 L 4.1329 7.9805 120.7292 57.3146 41.4640 179.3732 283 L 3.9995 7.9489 119.4422 57.7851 41.6385 179.3410 284 K 3.9270 8.0094 119.0686 59.5095 32.0694 178.1009 285 H 4.0882 8.2751 118.6647 59.5627 29.8362 177.3559 286 T 3.4459 7.9063 117.3904 66.7773 68.1713 176.6431 287 T 3.5919 7.8141 117.5258 66.6128 68.4825 176.2038 288 N 4.1889 8.3267 118.6217 56.4250 38.5996 177.6614 289 V 3.4341 7.6239 119.5720 65.7752 31.4780 178.2149 290 V 3.0740 7.6844 118.2370 65.6545 31.2622 178.1148 291 K 3.8267 8.1016 118.2834 59.4796 31.7045 179.0822 292 A 3.9619 7.6923 119.5492 55.4984 18.3035 178.8960 293 H 4.1998 7.9595 115.7800 59.6333 30.0247 177.1382 294 T 3.9857 7.9609 116.9206 66.3878 68.3499 174.4113 295 N 4.6340 7.9926 121.6595 53.3378 38.9210 174.8342 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 30 E 8.44 4.33 0.00 2.04 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 0.00 2.51 2.74 0.00 31 Y 7.74 3.30 0.00 2.70 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 32 P 0.00 4.25 0.00 2.08 1.93 0.00 2.31 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.70 0.00 33 T 8.35 4.75 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 1.29 0.00 0.00 34 V 8.24 3.75 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 0.79 0.00 0.00 0.92 0.00 0.00 35 S 7.91 4.13 0.00 3.90 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 36 E 7.68 4.35 0.00 1.96 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 2.33 2.32 0.00 37 I 7.22 4.49 1.88 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 1.29 0.75 0.92 0.00 0.00 38 P 0.00 4.42 0.00 2.32 1.94 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 39 V 7.72 3.96 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 1.02 0.00 0.00 0.90 0.00 0.00 40 G 8.93 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 0.00 0.00 0.00 0.00 41 E 8.17 4.72 0.00 2.09 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 2.19 0.00 42 V 7.96 4.79 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 0.89 0.00 0.00 1.00 0.00 0.00 43 R 8.98 4.77 0.00 1.69 1.74 0.00 3.31 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 44 L 8.52 5.20 0.00 1.54 1.60 0.69 0.72 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 45 Y 8.86 4.49 0.00 2.83 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 *47 Q 8.70 4.17 0.00 1.82 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 1.88 1.47 0.00 48 I 8.30 3.99 1.95 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 1.52 1.07 1.01 0.00 0.00 49 A 7.04 4.42 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 50 D 8.51 4.24 0.00 2.53 2.50 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 51 G 8.41 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 0.00 0.00 0.00 52 V 6.76 4.94 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 1.01 0.00 0.00 0.92 0.00 0.00 53 W 9.89 5.76 0.00 3.20 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 54 S 9.59 5.40 0.00 4.01 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 0.00 55 H 8.76 5.47 0.00 3.25 3.43 0.00 5.40 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.13 5.26 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.98 0.00 0.00 57 A 9.04 5.42 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.16 5.23 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 1.24 0.00 0.00 59 Q 8.30 4.32 0.00 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 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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 0.00 0.00 0.00 0.00 70 N 9.18 5.62 0.00 2.91 2.86 0.00 0.00 6.71 7.43 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 71 G 8.54 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 0.00 0.00 0.00 72 L 8.25 5.29 0.00 0.95 1.19 0.93 1.07 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 73 I 9.08 5.12 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.77 0.00 0.00 74 V 8.91 4.96 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 1.03 0.00 0.00 0.98 0.00 0.00 75 R 9.21 4.41 0.00 2.23 1.96 0.00 3.45 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 76 D 9.43 4.82 0.00 2.69 2.47 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 77 G 8.37 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 86 A 8.14 4.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.33 3.53 0.00 3.48 3.18 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 88 G 8.90 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 89 A 8.93 3.97 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 90 K 7.98 3.88 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.46 7.81 91 N 8.13 4.35 0.00 2.93 3.01 0.00 0.00 7.10 7.05 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 92 T 8.31 3.93 4.28 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 1.26 0.00 0.00 93 A 8.24 4.01 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 94 A 8.04 3.97 1.40 0.00 0.00 0.00 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0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 130 A 7.97 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.82 4.34 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 *133 G 7.61 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 0.00 0.00 0.00 134 V 7.82 3.98 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 0.81 0.00 0.00 0.99 0.00 0.00 135 A 9.08 4.51 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 0.00 136 T 8.54 4.95 4.29 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 1.26 0.00 0.00 137 Y 9.09 5.36 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.32 4.75 1.22 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 0.00 0.00 0.00 139 S 8.21 4.81 0.00 3.90 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 0.00 140 P 0.00 4.20 0.00 2.11 2.10 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 141 S 7.86 3.96 0.00 3.70 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.81 4.05 4.38 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 1.32 0.00 0.00 143 R 8.08 3.89 0.00 1.96 1.95 0.00 3.28 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 144 R 8.26 3.80 0.00 1.81 2.06 0.00 2.99 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 145 L 7.83 3.61 0.00 1.13 0.13 0.61 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.01 4.17 1.50 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 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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 1.74 1.09 1.05 0.00 0.00 250 Q 8.07 3.94 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 251 Q 8.23 4.04 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 252 H 7.80 3.91 0.00 2.58 1.84 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 Y 7.77 4.90 0.00 2.80 2.33 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 0.00 254 P 0.00 4.39 0.00 2.13 2.13 0.00 3.63 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 1.90 1.86 0.00 255 E 8.00 4.22 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 256 A 7.65 4.41 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 257 Q 8.73 4.58 0.00 1.34 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 258 F 8.01 5.44 0.00 2.95 2.84 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 0.00 259 V 9.38 4.92 2.27 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 1.12 0.00 0.00 1.03 0.00 0.00 260 I 8.92 4.76 2.24 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 1.10 0.00 0.00 261 P 0.00 4.73 0.00 2.25 2.19 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 262 G 8.40 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 0.00 0.00 0.00 263 H 7.65 4.98 0.00 3.25 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 264 G 8.75 3.91 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 0.00 265 L 8.11 3.31 0.00 1.67 1.41 0.90 1.06 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 *277 P 0.00 3.98 0.00 1.93 1.90 0.00 2.23 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 278 G 8.86 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 0.00 279 G 8.17 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 280 L 8.76 4.33 0.00 1.73 1.76 1.02 0.98 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 0.00 281 D 8.14 4.48 0.00 2.91 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 0.00 282 L 7.98 4.13 0.00 1.78 1.82 0.99 0.61 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 0.00 283 L 7.95 4.00 0.00 1.77 1.74 0.97 0.66 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 0.00 284 K 8.01 3.93 0.00 1.86 1.81 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.54 7.81 285 H 8.28 4.09 0.00 3.31 3.49 0.00 5.84 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 0.00 286 T 7.91 3.45 4.29 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 0.85 0.00 0.00 287 T 7.81 3.59 4.34 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 1.13 0.00 0.00 288 N 8.33 4.19 0.00 2.82 2.79 0.00 0.00 6.71 7.42 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 0.00 289 V 7.62 3.43 1.76 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 0.86 0.00 0.00 0.85 0.00 0.00 290 V 7.68 3.07 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 -0.92 0.00 0.00 291 K 8.10 3.83 0.00 1.81 1.78 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.53 7.81 292 A 7.69 3.96 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 0.00 293 H 7.96 4.20 0.00 3.13 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 294 T 7.96 3.99 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 1.20 0.00 0.00 295 N 7.99 4.63 0.00 2.67 2.69 0.00 0.00 6.90 7.34 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 * Residues marked with a * may have inaccurate shift predictions.