NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3102 8.1749 110.9385 61.0225 70.1271 172.8957 4 I 3.9619 8.1041 123.1033 60.9332 37.8575 174.2923 5 R 4.5359 9.9446 127.3124 54.3672 33.2631 174.9358 6 R 4.7931 8.1333 121.6210 54.6599 32.3912 174.6934 7 Y 4.6635 8.8027 121.4354 55.7635 41.9448 174.8791 8 D 4.5870 8.5650 117.4349 55.3430 39.7102 173.8595 9 V 3.9848 7.6524 117.2521 62.6744 32.8562 174.4507 10 N 4.7478 8.9997 126.4412 51.6726 38.6790 174.8707 11 E 4.0243 8.5900 126.7637 59.4252 30.0434 179.6637 12 D 4.4027 8.1591 117.5811 57.3200 40.9854 177.5680 13 R 4.1058 8.2824 115.6399 56.0460 30.6493 176.3165 14 G 3.9730 7.4544 105.1287 46.6058 0.0000 172.5278 15 H 5.1059 7.9244 112.1091 54.0543 33.1339 172.7631 16 T 4.7909 8.4225 115.4958 61.6886 69.8506 175.0174 17 G 3.7869 9.0265 114.5831 48.9358 0.0000 173.3391 18 L 5.2229 8.2194 122.9516 53.6774 45.9280 174.8706 19 V 4.8233 9.3498 127.3146 61.2970 33.8651 173.7253 20 E 4.6196 9.5101 129.6023 54.8410 31.4969 174.5694 21 A 4.6499 8.8270 128.8502 49.4774 21.4007 177.0142 22 G 3.7213 8.7422 113.6565 48.1844 0.0000 173.0835 23 D 4.5650 8.8827 125.3442 54.2452 41.1173 175.0412 24 F 5.3796 8.1106 118.8039 55.8288 42.7076 174.1642 25 Y 5.1229 8.8822 118.5685 56.6643 41.7503 173.8683 26 Y 4.9446 9.4197 123.1659 56.3027 39.9982 174.9050 27 L 4.9467 8.8199 125.4707 53.6126 43.2199 176.4542 28 N 4.8620 8.8740 123.1542 53.1491 39.8648 173.8644 29 Y 4.4561 8.5492 120.2696 58.1942 38.5208 175.4670 30 C 4.9066 9.5761 119.9918 58.1858 31.1765 173.4541 31 V 4.6777 8.0555 115.0539 60.1632 35.4188 174.4473 32 G 3.8382 8.7525 109.8150 46.0505 0.0000 172.4417 33 N 3.9269 8.4118 113.3275 53.2364 36.0780 175.2212 34 V 3.5771 7.7399 115.3954 64.8828 32.1044 175.8519 35 G 4.0470 8.9020 113.8306 45.7703 0.0000 173.1587 36 Q 4.6477 7.5239 119.1138 54.1900 30.9023 175.2055 37 D 4.6757 8.2028 118.8125 52.9964 41.6073 176.7661 38 I 3.6062 8.2253 118.8756 64.2468 37.8521 177.0424 39 E 3.8377 8.1432 119.4266 59.5948 29.4978 178.8269 40 S 4.1213 8.4271 114.9811 61.7961 62.8937 176.8238 41 Q 4.3776 8.2072 122.1736 58.2796 28.3889 178.8909 42 I 2.9333 7.6661 121.0493 64.1392 36.9668 178.1729 43 N 4.5501 8.2047 117.4939 56.3073 38.4825 177.7239 44 G 3.5797 8.6115 107.2523 47.6648 0.0000 175.6914 45 A 4.0515 7.8695 122.2374 55.0123 18.5128 179.4007 46 F 4.7703 7.8090 115.2801 60.9288 39.1752 177.1719 47 D 4.6145 8.5911 118.9127 57.2315 40.6676 179.0807 48 E 4.3154 7.9419 118.5558 56.5093 29.7673 178.3849 *50 E 4.2035 8.2042 118.6165 55.9471 31.7354 178.3192 51 R 3.8469 8.3046 117.6758 59.5523 30.2648 178.5238 52 R 4.0548 8.0364 117.7462 59.3178 29.9979 179.0921 53 L 3.8524 7.8672 118.0394 57.6417 41.6426 179.2375 54 A 3.8931 8.1578 120.4664 54.6061 17.9963 179.4416 55 L 3.9540 7.4191 117.1092 57.0094 41.5729 178.5026 56 V 4.0330 7.0858 109.2739 60.6143 32.0711 175.6841 57 G 3.7411 7.8152 106.7514 46.4460 0.0000 174.0660 58 L 4.4961 7.6494 119.1249 52.7328 44.0798 175.1405 59 T 4.6247 7.5481 108.6181 59.6057 72.0944 174.4794 60 L 3.7722 8.1820 119.7604 57.8002 41.4783 179.5078 61 D 4.3534 7.5756 117.5619 56.6148 40.9311 177.0728 62 A 4.3370 7.9405 120.9278 52.3070 19.4169 176.9389 63 V 4.2877 7.5835 117.0123 62.7146 32.2329 175.8752 64 V 4.3710 9.0529 120.0671 62.2874 34.3713 174.8990 65 Q 5.5617 7.5763 119.4415 55.4291 33.1943 172.3703 *67 D 4.8558 8.4962 118.6219 54.4204 42.6110 174.5824 68 C 4.8677 9.0924 121.2512 57.8237 31.1485 172.7320 69 L 5.0522 8.4370 124.2821 53.0664 43.5788 175.4531 70 F 5.3780 9.1522 123.0500 55.6108 41.5373 176.7664 71 R 4.1228 9.2884 123.5895 58.1717 30.9816 175.8907 72 D 5.0506 8.3250 118.8737 52.1147 42.8011 176.1503 73 V 3.2633 9.1183 127.8814 63.4350 31.6434 177.9643 74 W 4.2065 8.2249 119.5370 58.1969 28.9683 176.9614 75 N 4.6541 8.1821 116.3206 53.6185 37.8202 176.5366 76 I 3.4391 6.8361 122.5458 64.2886 37.5891 175.7362 77 P 4.4226 0.0000 0.0000 65.3332 30.8061 178.8482 78 V 3.6127 7.4021 114.3808 63.5238 31.0231 176.5377 *80 E 4.3502 8.3271 119.2930 55.9519 31.2578 178.3968 81 K 4.0134 7.7987 116.3920 57.7347 32.4399 178.0104 *83 I 4.2523 7.8862 119.0671 61.0754 38.7934 178.1173 84 K 4.1755 8.1450 118.1808 59.6654 31.8062 178.9750 85 E 4.1928 8.2403 118.0930 58.7019 29.4716 178.5566 86 R 4.3969 8.0351 115.9281 56.7600 31.5330 177.4169 87 F 4.3404 8.5631 115.9519 55.7608 39.5349 175.0664 88 N 3.9293 9.2832 115.8963 54.7068 37.0451 174.7440 89 G 3.6840 8.4166 102.0569 45.3831 0.0000 173.8084 90 R 4.1423 7.3853 117.9144 54.2156 32.8267 174.3613 91 Y 4.8089 8.0612 120.2708 55.2626 40.8513 173.7505 92 P 4.7600 0.0000 0.0000 61.8995 33.1317 175.5842 93 A 4.3989 8.5670 122.3472 52.4762 19.3716 176.7966 94 R 5.0192 8.1964 115.3977 55.1928 32.5310 173.9422 95 K 4.8343 8.5581 117.7518 55.4839 36.6122 174.9136 96 S 5.5276 8.7024 116.3347 56.8459 66.1877 173.6001 97 I 4.7251 8.9485 116.5397 59.1463 41.1385 173.8513 98 Q 4.8898 8.6551 125.6824 55.8821 29.4850 174.6131 99 T 4.5833 8.7588 120.1212 60.3415 71.2805 173.1165 100 E 3.9191 8.5695 125.9756 56.3506 30.2393 176.2147 101 F 4.9622 8.1364 118.1568 55.6795 42.6630 175.2573 102 A 4.4563 8.3993 124.5619 51.9934 17.9052 176.7761 103 H 5.0661 7.6652 119.5688 54.8456 33.9683 173.2864 104 H 4.3384 8.5786 118.8155 55.8940 29.5012 174.8890 105 G 4.1597 8.6370 110.0810 47.0986 0.0000 172.9866 106 G 3.9538 8.7569 109.6782 44.5473 0.0000 170.2179 107 P 4.4078 0.0000 0.0000 64.4045 31.6151 175.7386 108 Q 3.8613 8.4087 120.1795 55.9411 26.3059 174.0188 109 G 4.0604 7.9221 106.9380 44.3305 0.0000 173.6253 110 L 4.2999 8.0882 121.5393 54.4168 42.7104 176.2037 111 L 4.9856 9.1072 124.5622 54.9132 44.6775 175.9626 112 F 5.2623 7.5263 118.6219 57.2701 42.2919 173.0391 113 Q 4.5730 8.1611 123.6518 54.1633 33.5520 174.2296 114 V 4.7997 8.1955 119.4175 60.3810 35.3590 173.7341 115 D 4.9121 8.6531 121.0844 52.5080 43.2740 173.3987 116 G 4.0990 7.3913 103.2259 46.5666 0.0000 172.0456 117 V 4.9351 8.3147 118.5992 61.0049 34.9694 174.8060 118 A 5.3528 9.2575 128.0589 50.4116 23.0541 173.9680 119 Y 4.9619 8.6860 119.2492 56.2406 42.1195 174.6886 120 S 4.1373 8.0709 120.4585 56.7162 65.9126 173.9191 121 K 3.7706 8.1966 127.1688 56.5839 32.0015 176.2111 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 3 T 8.17 4.31 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 1.20 0.00 0.00 4 I 8.10 3.96 1.84 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 0.64 0.94 0.00 0.00 5 R 9.94 4.54 0.00 1.67 1.46 0.00 3.24 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 6 R 8.13 4.79 0.00 1.52 1.75 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 7 Y 8.80 4.66 0.00 2.96 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 8 D 8.57 4.59 0.00 2.95 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 9 V 7.65 3.98 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 0.86 0.00 0.00 0.91 0.00 0.00 10 N 9.00 4.75 0.00 2.60 2.33 0.00 0.00 6.93 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 11 E 8.59 4.02 0.00 2.02 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 2.39 2.27 0.00 12 D 8.16 4.40 0.00 2.79 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 13 R 8.28 4.11 0.00 1.57 2.02 0.00 3.56 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 14 G 7.45 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.92 5.11 0.00 3.23 3.42 0.00 5.42 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.42 4.79 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 1.36 0.00 0.00 17 G 9.03 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 0.00 0.00 0.00 18 L 8.22 5.22 0.00 1.79 1.67 1.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.35 4.82 2.26 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 0.90 0.00 0.00 1.00 0.00 0.00 20 E 9.51 4.62 0.00 2.27 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 2.05 1.47 0.00 21 A 8.83 4.65 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 22 G 8.74 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 23 D 8.88 4.57 0.00 2.59 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 0.00 0.00 0.00 24 F 8.11 5.38 0.00 3.23 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 25 Y 8.88 5.12 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 26 Y 9.42 4.94 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 27 L 8.82 4.95 0.00 1.91 1.64 0.98 0.33 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 28 N 8.87 4.86 0.00 2.89 2.49 0.00 0.00 7.22 7.17 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 29 Y 8.55 4.46 0.00 2.93 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 30 C 9.58 4.91 0.00 2.94 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 31 V 8.06 4.68 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 0.67 0.00 0.00 0.98 0.00 0.00 32 G 8.75 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 33 N 8.41 3.93 0.00 2.98 2.83 0.00 0.00 6.43 7.68 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 34 V 7.74 3.58 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 0.70 0.00 0.00 0.90 0.00 0.00 35 G 8.90 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.52 4.65 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 37 D 8.20 4.68 0.00 2.96 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 38 I 8.23 3.61 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.42 0.94 0.00 0.00 39 E 8.14 3.84 0.00 2.06 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 2.37 2.41 0.00 40 S 8.43 4.12 0.00 4.01 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 41 Q 8.21 4.38 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 42 I 7.67 2.93 1.64 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.06 0.24 0.00 0.00 43 N 8.20 4.55 0.00 2.90 2.90 0.00 0.00 6.96 7.21 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 44 G 8.61 3.58 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 45 A 7.87 4.05 1.46 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 0.00 0.00 46 F 7.81 4.77 0.00 3.24 3.03 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 47 D 8.59 4.61 0.00 2.88 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 48 E 7.94 4.32 0.00 2.12 2.07 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 2.27 2.38 0.00 *50 E 8.20 4.20 0.00 2.22 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 2.17 2.37 0.00 51 R 8.30 3.85 0.00 1.86 2.11 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 R 8.04 4.05 0.00 1.91 1.97 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 53 L 7.87 3.85 0.00 1.58 1.58 0.89 0.71 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 54 A 8.16 3.89 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 55 L 7.42 3.95 0.00 1.56 1.53 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.09 4.03 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 0.19 0.00 0.00 0.57 0.00 0.00 57 G 7.82 3.74 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 0.00 0.00 0.00 58 L 7.65 4.50 0.00 1.46 1.35 0.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.55 4.62 4.11 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 1.11 0.00 0.00 60 L 8.18 3.77 0.00 1.18 0.70 0.16 0.70 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 61 D 7.58 4.35 0.00 2.51 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 62 A 7.94 4.34 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 63 V 7.58 4.29 2.42 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 0.95 0.00 0.00 0.98 0.00 0.00 64 V 9.05 4.37 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 0.70 0.00 0.00 1.11 0.00 0.00 65 Q 7.58 5.56 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.22 0.00 *67 D 8.50 4.86 0.00 2.98 2.65 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 68 C 9.09 4.87 0.00 3.11 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 69 L 8.44 5.05 0.00 1.54 1.64 1.01 0.83 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 F 9.15 5.38 0.00 2.98 3.21 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 71 R 9.29 4.12 0.00 2.18 2.18 0.00 3.18 0.00 0.00 3.10 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 72 D 8.32 5.05 0.00 2.79 2.65 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 73 V 9.12 3.26 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 0.37 0.00 0.00 0.66 0.00 0.00 74 W 8.22 4.21 0.00 3.45 3.26 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 75 N 8.18 4.65 0.00 3.08 3.02 0.00 0.00 6.88 6.94 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 76 I 6.84 3.44 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.18 0.83 0.00 0.00 77 P 0.00 4.42 0.00 2.17 2.12 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 78 V 7.40 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 0.75 0.00 0.00 0.96 0.00 0.00 *80 E 8.33 4.35 0.00 2.21 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 2.24 2.47 0.00 81 K 7.80 4.01 0.00 1.94 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *83 I 7.89 4.25 1.97 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 1.16 0.72 0.53 0.00 0.00 84 K 8.15 4.18 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.60 7.81 85 E 8.24 4.19 0.00 2.06 2.07 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 2.39 2.56 0.00 86 R 8.04 4.40 0.00 1.77 1.73 0.00 3.38 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 87 F 8.56 4.34 0.00 3.40 3.26 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 88 N 9.28 3.93 0.00 2.76 2.77 0.00 0.00 7.11 7.98 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 89 G 8.42 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 0.00 0.00 0.00 90 R 7.39 4.14 0.00 1.68 1.72 0.00 3.04 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 91 Y 8.06 4.81 0.00 2.91 2.62 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 0.00 0.00 0.00 0.00 92 P 0.00 4.76 0.00 2.10 2.26 0.00 3.45 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 93 A 8.57 4.40 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 94 R 8.20 5.02 0.00 1.83 1.88 0.00 3.06 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 95 K 8.56 4.83 0.00 1.80 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 96 S 8.70 5.53 0.00 3.76 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 97 I 8.95 4.73 1.87 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 1.11 1.14 0.93 0.00 0.00 98 Q 8.66 4.89 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 99 T 8.76 4.58 4.08 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 0.73 0.00 0.00 100 E 8.57 3.92 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 101 F 8.14 4.96 0.00 3.00 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 0.00 102 A 8.40 4.46 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 0.00 103 H 7.67 5.07 0.00 3.08 3.12 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.58 4.34 0.00 3.31 3.40 0.00 5.69 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 0.00 105 G 8.64 4.16 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 0.00 0.00 0.00 106 G 8.76 3.95 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 0.00 0.00 0.00 107 P 0.00 4.41 0.00 2.07 2.06 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 108 Q 8.41 3.86 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 109 G 7.92 4.06 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 0.00 0.00 0.00 110 L 8.09 4.30 0.00 1.33 1.47 0.64 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.11 4.99 0.00 1.74 1.79 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.53 5.26 0.00 2.81 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 0.00 113 Q 8.16 4.57 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 1.95 1.50 0.00 114 V 8.20 4.80 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 0.90 0.00 0.00 1.18 0.00 0.00 115 D 8.65 4.91 0.00 2.94 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 0.00 116 G 7.39 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 0.00 0.00 0.00 117 V 8.31 4.94 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 0.72 0.00 0.00 0.96 0.00 0.00 118 A 9.26 5.35 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 0.00 119 Y 8.69 4.96 0.00 2.62 2.65 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 0.00 120 S 8.07 4.14 0.00 3.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.20 3.77 0.00 1.69 1.61 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.