NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3954 8.0176 110.9454 60.7209 70.5858 174.7163 6 P 4.1546 0.0000 0.0000 65.3759 31.2519 177.6331 7 F 4.1682 9.1542 121.8537 60.9826 39.7079 177.6342 8 D 4.2546 8.3157 118.1330 57.3150 40.5182 178.8563 9 A 3.9503 7.5815 119.7398 55.0583 18.2355 179.3530 10 L 3.7915 7.4560 117.3123 58.0063 42.2057 178.5435 11 W 4.0335 8.1850 127.5658 60.6702 30.7960 177.6714 12 Q 4.1184 8.2999 117.8980 58.7202 27.9797 178.7933 13 R 3.9298 7.9038 115.4836 57.5593 29.8960 178.1680 *15 L 3.8766 7.8398 120.6641 54.6161 43.5359 178.9225 16 A 3.9897 7.8001 120.4206 55.2171 18.2506 178.7139 17 R 3.6435 6.7143 112.3702 57.2438 29.9426 177.7417 18 G 3.9393 8.0618 107.0671 44.5103 0.0000 173.9162 19 W 4.6960 7.4186 119.2470 56.9763 30.1341 175.4285 20 T 4.5223 8.3617 113.4458 59.5361 70.2310 172.5253 21 P 5.0701 0.0000 0.0000 62.7343 32.1718 176.0679 22 V 4.6102 8.6698 122.3320 60.0903 34.6410 174.7025 23 S 4.8409 8.4460 116.3746 56.0832 66.1350 174.5269 24 E 3.9565 8.8391 121.7099 59.6577 29.0888 179.1916 25 S 4.2866 8.1760 112.1060 60.4988 63.2687 175.3142 26 R 4.5768 7.7460 119.7203 55.3239 30.8782 177.0532 27 L 4.0299 7.7360 121.7554 58.5544 42.0371 178.4482 28 D 4.4340 8.2368 118.0228 57.6759 40.5496 178.5477 29 D 4.3584 8.0641 117.5706 57.0587 41.3362 178.1631 30 W 4.2194 8.3991 128.8188 60.4199 30.6567 177.8618 31 L 3.5891 8.6589 119.5036 58.0379 40.8712 179.7538 32 T 3.8523 7.9404 108.4977 63.8327 68.5562 175.3979 33 Q 4.4849 7.1675 117.9257 54.9434 30.3564 176.7101 34 A 4.4768 7.3540 123.0705 50.3191 20.3457 174.4735 35 P 4.3314 0.0000 0.0000 64.6120 32.9659 176.5032 36 D 5.2234 8.0001 120.7951 52.6575 42.7739 175.6080 37 G 4.7293 9.1891 110.5571 45.4851 0.0000 170.1107 38 V 5.1483 9.3383 118.6775 61.2487 35.4594 173.8399 39 V 4.5078 8.6199 127.1093 61.0333 34.1202 174.0671 40 L 4.4950 8.7246 129.1042 53.7045 43.2235 175.5415 41 L 4.6588 8.5675 124.9418 53.0957 43.4332 176.0835 42 S 5.0489 8.5246 118.7764 56.8596 66.5959 172.7647 43 S 4.9562 8.4321 116.3440 56.2181 66.9629 173.4432 44 D 4.3767 8.4901 120.1530 53.8108 41.1144 175.1156 45 P 4.5980 0.0000 0.0000 65.5030 31.8208 178.9383 46 K 4.0332 8.0684 117.5491 59.5649 32.2033 178.2445 47 R 3.9523 8.1896 117.1570 59.0336 30.1560 176.2515 48 T 4.4533 7.8634 113.9914 59.3112 68.0775 171.8960 49 P 4.6951 0.0000 0.0000 63.2642 31.2889 177.4312 50 E 4.2217 8.3759 120.6387 58.8203 29.7611 178.8070 51 V 3.8030 7.1084 116.4635 65.2515 31.6758 177.0756 52 S 4.4233 8.0029 114.5794 61.2879 63.5900 175.6327 53 D 4.5411 8.3069 120.5655 56.6761 40.3844 177.8471 54 N 4.3004 8.2503 116.5851 56.6175 39.0634 174.1525 55 P 4.5743 0.0000 0.0000 65.7590 31.1875 178.6664 56 V 3.3575 7.2601 113.4718 64.4596 32.1487 177.5139 *58 I 3.9793 7.9073 120.7268 61.0386 38.9373 177.9769 59 G 3.9241 8.2950 105.9745 48.0509 0.0000 175.3378 60 E 4.3563 8.1151 121.0512 59.2172 29.7689 178.8866 61 L 4.0375 8.2958 119.8425 58.4849 41.8032 178.9541 62 L 3.6292 7.8510 118.8033 57.8362 41.4408 178.7106 63 H 4.7503 7.7760 111.2462 56.9736 28.5191 176.1943 64 E 4.3763 7.9615 120.4442 57.0496 31.3018 176.5014 65 F 5.0602 8.6679 117.6773 55.1688 39.6428 173.7624 66 P 4.5414 0.0000 0.0000 65.4343 31.8464 178.0913 67 D 4.3489 8.3586 116.8174 56.2388 40.8515 175.7256 68 Y 4.3756 7.5773 115.5855 56.2718 41.0895 175.9561 69 T 4.3358 7.7188 117.1347 60.1435 66.2805 174.9718 70 W 4.9334 7.6457 121.4734 58.0126 30.4086 177.3017 71 Q 4.7136 9.1897 124.1853 54.4747 32.5028 173.5576 72 V 4.6642 8.6434 125.2915 61.1298 33.9268 174.0334 73 A 4.8923 8.8968 128.9051 49.7737 22.3849 174.8077 74 I 4.8018 8.2342 112.9025 58.9191 41.0198 174.0908 75 A 5.3226 8.4192 126.1729 50.0976 21.5806 176.9299 76 D 4.7937 8.5858 121.3108 52.5862 41.7395 177.1551 77 L 3.7575 7.7490 118.0839 58.1158 41.5504 179.6032 78 E 3.9395 7.9365 117.7612 59.6517 29.6060 179.3354 79 Q 4.0740 9.2701 118.7056 58.9033 28.6026 178.9267 80 S 4.2203 8.4863 116.8554 61.6614 62.7394 176.5868 81 E 4.0929 8.1226 120.3773 59.1746 29.2066 179.1006 82 A 3.9971 7.8816 120.5472 55.3143 18.3237 179.5857 83 I 3.8904 8.1865 117.5287 64.4483 37.4640 178.6212 84 G 3.9271 8.4972 106.6347 48.1868 0.0000 175.2007 85 D 4.1534 8.2857 122.3331 57.0903 40.6392 179.2112 86 R 3.9487 7.8587 117.6978 58.1814 30.1138 177.4352 87 F 4.5855 8.0735 115.0730 56.3154 39.7261 176.1346 88 G 3.7696 7.5847 105.1685 45.7299 0.0000 174.0764 89 A 4.3134 7.5924 122.5217 51.5034 17.5726 177.6347 90 F 4.6061 8.5750 121.0038 57.8224 39.6780 176.7137 91 R 4.4662 7.9092 121.1930 54.7337 30.6428 173.6891 92 F 5.2803 8.3482 122.3448 55.0993 41.0947 174.0881 93 P 4.6418 0.0000 0.0000 62.8635 32.5215 175.2435 94 A 5.1753 8.4148 123.3946 50.6604 23.4913 175.3925 95 T 4.7536 8.4821 115.0896 61.8507 72.6150 173.4899 96 L 4.6558 8.7906 127.8551 54.2312 43.3783 176.1546 97 V 4.7534 8.6289 123.8108 61.0995 34.1295 174.2349 98 F 5.4233 9.5879 126.0169 56.0584 42.6337 174.1292 99 T 4.7788 9.0995 120.0136 62.0820 72.1255 174.5664 100 G 4.0352 9.4390 115.5157 46.7300 0.0000 174.2518 101 G 3.9610 8.7406 104.4273 45.5022 0.0000 173.5643 102 N 5.0794 8.2814 117.9493 51.0183 40.8380 173.4176 103 Y 4.1428 8.7595 124.0699 57.5893 39.0928 175.2666 104 R 3.9735 9.2008 127.1175 55.5591 31.4174 177.2038 105 G 3.3682 5.3800 103.5177 44.6633 0.0000 170.6034 106 V 4.8360 7.4865 118.5726 59.9007 34.5389 175.1421 107 L 4.5156 8.9566 125.4780 53.6861 42.5191 175.4019 108 N 5.3596 8.8036 121.0817 52.0241 40.6396 175.2451 109 G 3.8018 8.4978 107.3998 44.6491 0.0000 172.0951 110 I 4.5074 7.7560 117.3174 59.3885 40.2783 174.4120 111 H 5.0138 8.5190 123.1529 52.9514 32.9180 171.3522 112 P 4.4648 0.0000 0.0000 62.5154 32.1387 177.3449 113 W 3.8888 9.1602 129.6906 60.9308 30.5652 178.2596 114 A 4.2699 8.3127 119.9592 55.0196 17.6896 178.4985 115 E 4.2303 7.9179 117.3182 57.0466 30.0893 178.0388 116 L 3.9592 7.4281 120.3853 58.0555 42.2248 177.8651 117 I 3.5192 6.9829 116.7898 64.2559 37.8572 176.9842 118 N 4.5853 7.7092 116.8702 55.6676 36.7294 177.7067 119 L 3.9285 7.3871 119.0829 54.8300 41.1753 178.8484 *121 R 4.4509 8.1767 121.5511 56.4679 31.5747 177.0042 122 G 3.9078 7.9271 103.8902 46.6677 0.0000 173.7427 123 L 4.3396 7.1837 116.0099 56.1843 43.1109 177.7908 124 V 4.1248 7.5051 108.6295 60.9507 31.6177 175.6285 125 E 4.2518 7.7475 125.8118 56.6294 29.7373 174.6370 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 5 T 8.02 4.40 4.30 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 1.24 0.00 0.00 6 P 0.00 4.15 0.00 2.45 2.40 0.00 3.77 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 2.18 2.14 0.00 7 F 9.15 4.17 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.32 4.25 0.00 3.00 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 9 A 7.58 3.95 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 10 L 7.46 3.79 0.00 1.62 1.64 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.19 4.03 0.00 2.83 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.30 4.12 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 13 R 7.90 3.93 0.00 1.87 1.80 0.00 3.11 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 *15 L 7.84 3.88 0.00 1.66 1.58 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.80 3.99 1.20 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 0.00 0.00 17 R 6.71 3.64 0.00 0.67 0.92 0.00 2.21 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.00 18 G 8.06 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 0.00 0.00 0.00 19 W 7.42 4.70 0.00 3.10 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 20 T 8.36 4.52 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 1.32 0.00 0.00 21 P 0.00 5.07 0.00 2.11 2.49 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 22 V 8.67 4.61 1.58 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 0.46 0.00 0.00 0.79 0.00 0.00 23 S 8.45 4.84 0.00 4.00 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 24 E 8.84 3.96 0.00 2.05 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 2.44 2.36 0.00 25 S 8.18 4.29 0.00 4.08 4.01 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 26 R 7.75 4.58 0.00 1.90 2.01 0.00 3.18 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.74 4.03 0.00 1.97 1.86 0.90 1.28 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 28 D 8.24 4.43 0.00 2.77 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 29 D 8.06 4.36 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.40 4.22 0.00 3.40 3.38 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 31 L 8.66 3.59 0.00 1.99 1.62 0.53 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.94 3.85 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 1.29 0.00 0.00 33 Q 7.17 4.48 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.18 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 34 A 7.35 4.48 0.20 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 0.00 0.00 35 P 0.00 4.33 0.00 2.07 2.27 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 36 D 8.00 5.22 0.00 2.50 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 0.00 0.00 0.00 37 G 9.19 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.34 5.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.55 0.00 0.00 39 V 8.62 4.51 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 0.80 0.00 0.00 0.82 0.00 0.00 40 L 8.72 4.50 0.00 1.48 1.48 0.58 -0.15 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 41 L 8.57 4.66 0.00 0.82 0.48 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.52 5.05 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.43 4.96 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.49 4.38 0.00 2.64 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 45 P 0.00 4.60 0.00 2.33 2.20 0.00 3.82 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 46 K 8.07 4.03 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 47 R 8.19 3.95 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.86 4.45 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 1.31 0.00 0.00 49 P 0.00 4.70 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.38 4.22 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 51 V 7.11 3.80 2.20 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 0.93 0.00 0.00 1.05 0.00 0.00 52 S 8.00 4.42 0.00 3.94 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 53 D 8.31 4.54 0.00 2.90 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 54 N 8.25 4.30 0.00 2.71 2.91 0.00 0.00 6.95 7.69 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 55 P 0.00 4.57 0.00 2.29 2.36 0.00 3.75 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 2.19 2.27 0.00 56 V 7.26 3.36 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 1.00 0.00 0.00 1.00 0.00 0.00 *58 I 7.91 3.98 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.57 0.00 0.00 59 G 8.29 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 0.00 0.00 0.00 60 E 8.12 4.36 0.00 2.35 2.28 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 2.71 2.60 0.00 61 L 8.30 4.04 0.00 1.59 1.74 0.68 0.33 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 62 L 7.85 3.63 0.00 1.92 1.60 0.71 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.78 4.75 0.00 3.38 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.96 4.38 0.00 2.53 1.83 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 2.49 3.02 0.00 65 F 8.67 5.06 0.00 3.75 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.54 0.00 2.11 2.22 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.43 0.00 67 D 8.36 4.35 0.00 2.06 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.38 0.00 1.45 1.77 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 0.00 0.00 0.00 0.00 69 T 7.72 4.34 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 1.13 0.00 0.00 70 W 7.65 4.93 0.00 3.30 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 71 Q 9.19 4.71 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 72 V 8.64 4.66 1.16 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 -0.51 0.00 0.00 0.51 0.00 0.00 73 A 8.90 4.89 -0.35 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 74 I 8.23 4.80 1.75 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.42 0.91 0.00 0.00 75 A 8.42 5.32 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 76 D 8.59 4.79 0.00 2.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.75 3.76 0.00 1.41 1.53 0.56 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.94 3.94 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 79 Q 9.27 4.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 80 S 8.49 4.22 0.00 4.08 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 81 E 8.12 4.09 0.00 2.21 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 2.36 2.62 0.00 82 A 7.88 4.00 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 83 I 8.19 3.89 1.98 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 1.55 0.74 0.98 0.00 0.00 84 G 8.50 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 0.00 0.00 0.00 85 D 8.29 4.15 0.00 2.93 2.79 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 86 R 7.86 3.95 0.00 1.77 2.15 0.00 3.21 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.36 0.00 87 F 8.07 4.59 0.00 2.90 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 88 G 7.58 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.59 4.31 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 90 F 8.57 4.61 0.00 3.03 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 91 R 7.91 4.47 0.00 1.77 1.90 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.35 5.28 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.64 0.00 2.08 1.96 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 94 A 8.41 5.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.48 4.75 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 1.00 0.00 0.00 96 L 8.79 4.66 0.00 1.70 1.48 0.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.63 4.75 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 0.87 0.00 0.00 0.70 0.00 0.00 98 F 9.59 5.42 0.00 3.21 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 99 T 9.10 4.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 100 G 9.44 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.74 3.96 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 0.00 0.00 0.00 102 N 8.28 5.08 0.00 2.96 2.75 0.00 0.00 6.64 7.20 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 0.00 103 Y 8.76 4.14 0.00 2.84 2.94 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 0.00 104 R 9.20 3.97 0.00 1.50 1.91 0.00 3.54 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 105 G 5.38 3.37 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 0.00 106 V 7.49 4.84 2.18 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 0.84 0.00 0.00 0.96 0.00 0.00 107 L 8.96 4.52 0.00 1.47 1.54 0.68 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.80 5.36 0.00 2.85 2.81 0.00 0.00 6.45 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.50 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 0.00 110 I 7.76 4.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.88 0.00 0.00 111 H 8.52 5.01 0.00 3.03 3.13 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.46 0.00 2.23 2.06 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 113 W 9.16 3.89 0.00 3.48 3.31 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 0.00 114 A 8.31 4.27 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 0.00 115 E 7.92 4.23 0.00 2.10 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 2.33 2.34 0.00 116 L 7.43 3.96 0.00 1.63 1.02 0.62 0.26 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 0.00 117 I 6.98 3.52 1.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.94 0.93 0.00 0.00 118 N 7.71 4.59 0.00 3.09 3.06 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.39 3.93 0.00 1.79 1.56 0.64 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.18 4.45 0.00 2.20 2.16 0.00 3.26 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 122 G 7.93 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 0.00 123 L 7.18 4.34 0.00 1.50 1.51 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.51 4.12 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 0.37 0.00 0.00 0.82 0.00 0.00 125 E 7.75 4.25 0.00 2.01 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 2.28 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.