NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5264 8.3049 118.1929 54.4660 32.8032 175.4508 2 D 4.2173 9.1157 120.1081 54.3444 42.7561 176.7406 3 A 3.9695 8.7400 124.6251 55.1469 18.9306 179.8715 4 K 3.7978 7.9245 117.5315 59.5280 32.3003 178.8207 5 A 3.7354 7.5482 121.8067 54.4010 18.3540 179.2998 6 R 3.8636 7.9386 117.2569 59.8758 30.1013 178.5317 7 N 4.3873 8.7770 116.4123 56.2062 38.2008 177.0949 8 C 4.1596 7.7140 119.2021 62.4081 31.8996 175.0573 9 L 4.2826 8.1004 120.6503 58.0723 41.1460 179.6292 10 L 4.0059 8.0841 118.6566 57.8749 41.3421 179.2404 11 Q 3.9839 8.1663 118.5586 58.6253 29.1413 176.7954 12 H 4.9152 7.6140 114.6968 55.4280 29.8296 175.7584 13 R 3.9136 7.9400 122.5090 59.6852 29.8075 178.2284 14 E 3.9225 8.1917 118.2172 59.1994 29.4189 178.4498 15 A 4.0104 7.9614 120.3122 55.0577 18.6794 179.2351 16 L 3.9491 8.0113 117.4965 58.3189 41.5624 179.8307 17 E 4.0440 8.1373 116.8142 58.9201 29.4192 178.9223 18 K 4.0714 7.9051 119.3191 59.0764 32.3272 177.6295 19 D 4.8229 7.4811 116.8232 54.3963 42.1964 177.2442 20 I 3.3101 6.9658 120.2924 60.5646 37.4880 175.6501 21 K 4.3874 8.7502 126.2954 56.1131 32.8822 177.9517 22 T 4.2358 8.4817 113.9938 63.9425 69.2458 177.2253 23 S 3.9908 8.0295 115.9912 61.6647 62.5308 175.5812 24 Y 4.1111 7.9860 118.8907 60.9530 37.7612 177.8336 25 I 3.8426 8.0816 120.3498 64.9764 37.1963 178.2286 26 M 4.1849 8.3774 119.3852 58.5570 31.7057 178.6367 27 D 4.3944 8.1729 118.9019 57.3114 40.9032 178.2931 28 H 4.1089 8.4301 118.9810 59.7163 29.8622 177.3481 29 M 4.3122 8.2925 120.4757 58.3357 31.6265 178.9053 30 I 3.9594 8.1906 121.8882 63.9292 37.0771 178.3302 31 S 4.0917 8.1439 113.0768 61.5882 62.2577 175.6971 32 D 4.6215 8.1087 120.8395 56.1246 40.5845 177.4299 33 G 3.8398 7.5602 106.4184 45.3069 0.0000 173.7510 34 F 4.8771 8.4018 115.4664 56.4846 39.8385 174.7515 35 L 4.9041 7.6499 122.7851 52.7361 45.1014 175.7844 36 T 4.4484 9.1185 116.9977 60.6043 71.7434 176.1485 37 I 3.7663 8.1222 115.5235 64.1497 37.6975 178.5381 38 S 4.1700 8.0052 116.8255 61.3509 62.7682 176.1473 39 E 3.9680 8.2433 121.4760 59.2430 29.1942 178.8664 40 E 3.8958 8.2750 119.3573 59.4203 29.7146 178.5532 41 E 3.9916 8.2284 119.2557 58.9614 29.4103 178.6029 42 K 3.8693 7.7206 118.6531 59.4265 32.5599 178.6116 43 V 3.7039 7.6764 118.3108 66.1685 31.3002 177.9704 44 R 3.9243 8.1825 117.2533 59.3494 29.8965 177.5342 45 N 4.4432 7.9765 115.6069 54.8155 39.3702 175.0892 46 E 4.1373 7.5816 120.1417 56.1046 30.0349 174.6247 47 P 4.7920 0.0000 0.0000 62.7200 31.9082 175.5381 48 T 4.6798 7.2751 108.4544 59.6460 72.8476 174.1156 49 Q 3.9346 8.5833 122.2843 59.5009 29.1410 178.1469 50 Q 3.9733 8.0578 120.0492 59.4294 29.1340 178.1911 51 Q 4.1092 7.9128 119.0892 58.7366 28.7135 178.8113 52 R 3.9135 8.5327 119.5618 59.1894 30.0699 178.9352 53 A 3.9798 8.2193 120.4107 54.9870 18.2937 179.4508 54 A 3.9035 8.4316 119.8121 55.5364 18.3593 179.5793 55 M 3.9234 8.0224 116.6617 58.5330 32.2519 178.1283 56 L 3.8650 7.9786 120.4961 58.3545 42.2124 179.1255 57 I 3.4790 7.8478 119.7757 63.9561 36.7534 178.1326 58 K 3.8096 7.9372 119.7955 59.9133 32.2510 178.4187 59 M 4.1799 8.1019 118.8173 58.5343 31.8269 178.8044 60 I 3.6313 7.9399 120.3021 64.3098 36.9840 178.3757 61 L 4.0265 7.9586 119.1235 56.7249 41.4653 178.5485 62 K 4.4180 7.7371 116.6254 57.0484 33.3345 176.2999 63 K 4.4431 8.0565 120.8642 55.5866 34.4677 175.0904 64 D 4.8586 8.1122 119.7429 52.5152 42.8485 176.3257 65 N 4.3121 8.5732 115.8350 56.7124 38.3863 177.1769 66 D 4.2259 8.0791 119.9630 56.3931 39.4407 178.7083 67 S 4.0914 8.3161 116.7530 61.2711 62.7964 175.7536 68 Y 4.1062 8.0471 122.4072 60.9086 38.4708 178.5505 69 V 3.7499 7.9453 119.1017 65.9777 31.5347 177.9196 70 S 4.1190 7.9833 113.0453 61.2033 62.2052 175.8369 71 F 4.2730 8.5572 123.6761 61.5217 39.1063 176.2571 72 Y 3.7184 8.2642 119.4465 60.9419 38.5462 178.0898 73 N 4.1271 8.6547 117.3166 56.0455 38.5942 177.3473 74 A 3.6248 8.0410 122.4677 54.8774 18.3600 179.6310 75 L 3.8839 7.6414 117.5342 57.9300 41.4230 179.6945 76 L 3.7132 7.3426 117.6585 57.8368 41.5810 178.7287 77 H 4.6697 7.7679 114.1007 56.4612 29.0259 175.9221 78 E 4.4936 8.1136 119.2255 56.3197 29.8906 176.3656 79 G 3.8028 8.6230 106.0640 45.6681 0.0000 174.2265 80 Y 5.0178 7.9540 114.7112 55.1508 38.8264 177.7003 81 K 3.8505 7.9356 121.1191 59.1848 32.1560 178.6612 82 D 4.3423 8.0187 119.3137 56.6516 39.2264 178.6442 83 L 4.0352 7.9048 120.0705 57.0586 41.8417 178.9355 84 A 3.8697 8.2377 120.9278 55.2051 17.9467 179.5513 85 A 4.0691 8.1189 119.0808 55.2542 18.1572 179.8910 86 L 3.8104 7.5224 116.7627 57.4276 41.9785 178.8089 87 L 4.5022 7.8650 117.1351 55.6725 41.9322 178.1405 88 H 3.9197 7.8583 119.1043 59.5893 29.6461 176.5822 89 D 4.5203 8.1971 117.5245 55.9988 41.0511 177.6320 90 G 3.8756 7.9726 105.7564 43.7488 0.0000 173.6499 91 I 3.6271 7.0219 122.8576 60.6980 37.5588 174.3187 92 P 3.9597 0.0000 0.0000 66.1379 31.4596 177.3253 *93 V 3.9215 7.6593 118.3209 60.9201 32.2369 177.6885 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 1 M 8.30 4.53 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 2 D 9.12 4.22 0.00 2.56 2.56 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 3 A 8.74 3.97 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 4 K 7.92 3.80 0.00 1.76 1.70 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 A 7.55 3.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.94 3.86 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 7 N 8.78 4.39 0.00 2.79 2.85 0.00 0.00 6.71 7.59 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 8 C 7.71 4.16 0.00 3.25 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 9 L 8.10 4.28 0.00 2.04 1.79 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.08 4.01 0.00 1.87 1.72 0.93 0.53 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 11 Q 8.17 3.98 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.10 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 12 H 7.61 4.92 0.00 3.21 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.94 3.91 0.00 2.04 1.95 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 14 E 8.19 3.92 0.00 2.08 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 2.39 2.39 0.00 15 A 7.96 4.01 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 16 L 8.01 3.95 0.00 1.93 1.81 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 4.04 0.00 1.95 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 2.34 2.47 0.00 18 K 7.91 4.07 0.00 2.00 1.99 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 19 D 7.48 4.82 0.00 2.67 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 20 I 6.97 3.31 1.83 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 0.55 0.36 0.81 0.00 0.00 21 K 8.75 4.39 0.00 1.99 1.90 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.49 7.81 22 T 8.48 4.24 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 1.24 0.00 0.00 23 S 8.03 3.99 0.00 3.79 3.79 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 0.00 0.00 0.00 0.00 24 Y 7.99 4.11 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.08 3.84 2.00 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 1.72 0.79 1.10 0.00 0.00 26 M 8.38 4.18 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 27 D 8.17 4.39 0.00 2.75 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 28 H 8.43 4.11 0.00 3.46 3.57 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 29 M 8.29 4.31 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.78 0.00 30 I 8.19 3.96 1.89 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 1.54 1.52 0.91 0.00 0.00 31 S 8.14 4.09 0.00 3.84 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 32 D 8.11 4.62 0.00 3.17 3.16 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 0.00 0.00 0.00 33 G 7.56 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 0.00 0.00 0.00 0.00 34 F 8.40 4.88 0.00 3.10 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 35 L 7.65 4.90 0.00 1.74 1.50 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.12 4.45 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 1.21 0.00 0.00 37 I 8.12 3.77 1.86 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 1.63 0.68 0.90 0.00 0.00 38 S 8.01 4.17 0.00 3.88 3.94 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 0.00 0.00 0.00 39 E 8.24 3.97 0.00 2.21 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 2.33 2.32 0.00 40 E 8.28 3.90 0.00 2.05 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 2.30 2.32 0.00 41 E 8.23 3.99 0.00 2.17 1.92 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 2.30 2.45 0.00 42 K 7.72 3.87 0.00 1.82 1.99 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 43 V 7.68 3.70 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 1.01 0.00 0.00 0.95 0.00 0.00 44 R 8.18 3.92 0.00 1.84 2.09 0.00 3.35 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 45 N 7.98 4.44 0.00 2.86 2.97 0.00 0.00 7.24 7.71 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 46 E 7.58 4.14 0.00 2.10 1.86 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 2.50 2.51 0.00 47 P 0.00 4.79 0.00 2.17 2.12 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 48 T 7.28 4.68 4.25 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 1.22 0.00 0.00 49 Q 8.58 3.93 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 50 Q 8.06 3.97 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 51 Q 7.91 4.11 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 52 R 8.53 3.91 0.00 1.95 1.98 0.00 3.13 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 1.84 1.90 0.00 53 A 8.22 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.43 3.90 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 55 M 8.02 3.92 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 56 L 7.98 3.87 0.00 1.78 1.75 0.88 0.97 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 57 I 7.85 3.48 1.82 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 1.58 0.69 0.86 0.00 0.00 58 K 7.94 3.81 0.00 1.79 2.08 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 59 M 8.10 4.18 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 60 I 7.94 3.63 1.49 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.65 0.00 0.00 61 L 7.96 4.03 0.00 1.75 1.74 0.91 0.95 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 62 K 7.74 4.42 0.00 1.91 1.90 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 63 K 8.06 4.44 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.59 7.81 64 D 8.11 4.86 0.00 2.96 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 65 N 8.57 4.31 0.00 2.73 2.86 0.00 0.00 6.60 8.08 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 66 D 8.08 4.23 0.00 2.35 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 67 S 8.32 4.09 0.00 4.13 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 68 Y 8.05 4.11 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.95 3.75 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 1.06 0.00 0.00 1.01 0.00 0.00 70 S 7.98 4.12 0.00 3.75 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 71 F 8.56 4.27 0.00 3.09 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 72 Y 8.26 3.72 0.00 2.86 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 73 N 8.65 4.13 0.00 2.97 2.93 0.00 0.00 6.97 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 74 A 8.04 3.62 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 75 L 7.64 3.88 0.00 1.45 1.68 0.20 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.34 3.71 0.00 1.42 1.41 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.77 4.67 0.00 3.07 3.29 0.00 5.60 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 78 E 8.11 4.49 0.00 2.10 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 2.32 2.44 0.00 79 G 8.62 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.95 5.02 0.00 2.93 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 81 K 7.94 3.85 0.00 1.72 1.78 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.38 7.81 82 D 8.02 4.34 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 83 L 7.90 4.04 0.00 1.75 1.66 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.24 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.12 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 3.81 0.00 1.58 1.28 0.86 1.40 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 87 L 7.87 4.50 0.00 1.91 1.80 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.86 3.92 0.00 3.45 3.40 0.00 5.59 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 89 D 8.20 4.52 0.00 2.72 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 90 G 7.97 3.88 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 0.00 0.00 0.00 91 I 7.02 3.63 1.71 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.39 0.81 0.00 0.00 92 P 0.00 3.96 0.00 1.93 2.14 0.00 3.61 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.79 0.00 *93 V 7.66 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.