NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3094 8.1849 120.6265 54.1550 43.0898 176.4218 2 L 4.0916 8.2505 120.7565 53.2730 42.3645 175.1947 3 T 4.7538 9.2954 112.3523 58.9554 74.1955 174.6856 4 I 3.6289 8.3099 120.9743 65.0003 36.9191 178.3020 5 D 4.4100 8.0581 118.9484 57.6397 40.7570 178.7911 6 T 4.0515 7.9080 109.7040 64.6656 68.8946 177.0882 7 T 4.2629 8.4596 119.2979 66.8602 68.5762 176.6245 8 I 3.7440 7.8781 121.7152 64.1803 37.1017 178.0191 9 E 3.9776 8.5948 120.5397 59.0535 29.3895 178.7383 10 W 4.3959 8.6303 128.5943 60.7908 30.8722 178.0296 11 L 3.8018 8.1766 119.0185 57.3574 40.9338 179.8720 12 G 3.5732 8.0934 105.8262 47.8175 0.0000 175.9785 13 K 4.0550 8.2282 121.4470 58.8645 31.9709 179.2347 14 F 4.3090 8.6184 121.2597 61.4651 39.3134 176.4005 15 N 3.8325 8.4360 117.0090 56.8224 38.5235 176.5140 16 E 3.8481 8.1527 119.5409 59.4212 29.5889 179.4672 17 K 3.6551 7.9433 118.3897 59.2562 31.9281 179.5751 18 I 3.4648 7.4544 120.0788 64.4187 36.7999 178.4807 19 Q 3.8967 7.8835 117.7397 58.9386 28.5831 178.4565 20 E 4.0962 8.0180 118.5307 58.9051 29.7700 178.5048 21 N 4.9739 7.6803 114.9124 52.9180 39.2535 177.2182 22 K 3.9820 7.5943 123.3043 60.1379 32.5976 178.6494 23 A 4.0026 8.0118 121.6824 54.9539 18.2562 178.7843 24 Y 4.1659 8.0597 117.4735 60.9096 38.8487 178.0726 25 L 3.8887 8.1648 119.8863 58.0254 41.7292 179.7905 26 S 4.1795 8.0228 114.5568 61.1933 62.7693 176.2034 27 E 3.8807 8.1962 122.3024 59.3525 29.2266 178.7949 28 L 3.9008 7.6316 117.9164 57.5073 41.7543 178.0894 29 D 4.7325 7.6940 115.9636 54.6482 39.6851 178.0185 30 G 3.6785 7.8909 106.1940 47.6902 0.0000 174.6186 31 P 4.4636 0.0000 0.0000 63.8287 31.4793 177.2442 32 I 4.6201 6.8649 109.6103 59.9702 38.4647 175.0550 33 G 4.3755 7.7813 109.0126 47.9332 0.0000 174.6913 34 D 4.7184 9.0169 126.2994 52.6030 39.7194 176.3726 35 G 4.1508 8.5867 107.0345 47.0649 0.0000 174.4044 36 D 4.8170 8.3483 116.3711 52.2955 41.0487 176.7654 37 H 4.1389 8.7720 120.1054 59.5634 30.1168 176.3379 38 G 4.2556 8.6113 105.6927 48.1629 0.0000 174.1678 39 A 4.0757 8.0302 123.6653 55.1357 18.5613 179.4649 40 N 4.0670 8.6065 109.9226 55.0953 38.7842 176.5721 *42 A 4.0975 7.9831 121.8572 52.2615 20.5728 178.5485 43 R 4.0274 7.4750 115.3552 59.0511 30.2713 179.3408 44 G 3.8302 8.0915 102.6988 46.8290 0.0000 174.9895 *46 S 4.2833 8.1563 115.3762 58.1175 64.9115 175.7598 47 E 3.9332 8.2949 121.5036 59.3008 29.4074 179.9534 48 T 4.0112 8.0301 111.5681 64.8050 68.4123 175.9439 *50 K 4.1531 8.2107 122.1694 56.5207 33.9466 178.1673 51 A 4.0366 8.1322 121.5962 55.0962 18.4789 179.7633 52 L 4.4278 8.1042 115.3982 57.8405 42.0611 178.6745 53 E 4.1323 7.9529 118.0295 59.5145 29.4256 178.9115 54 V 3.7379 7.6515 110.3528 63.3262 32.0099 176.7425 55 S 4.2258 7.1250 112.4036 57.0601 63.9677 173.1421 56 N 4.5821 7.9355 119.2368 51.7307 40.3804 173.4952 57 F 5.0435 8.5087 124.8901 56.2904 40.3838 176.5684 58 G 3.8018 9.2541 114.9066 47.9920 0.0000 173.2651 59 N 4.8151 7.6080 115.9677 50.8289 41.2541 175.3919 60 V 3.2726 8.1111 118.8618 65.8184 31.5037 177.2664 61 S 4.1370 8.0688 112.5471 61.8123 62.0556 175.8705 62 E 4.0317 8.7915 121.1678 59.5360 29.1633 179.4648 63 I 2.4830 6.6931 118.1623 64.1350 37.0636 178.3918 64 F 4.6573 7.7670 118.4548 60.7105 38.5293 177.6532 65 K 4.0551 8.1779 118.2832 59.4850 32.0692 178.4688 66 K 4.1686 7.9446 119.0206 59.2732 32.3976 178.7850 67 V 3.5996 8.0278 118.4775 65.8123 31.1966 178.0248 68 A 4.1447 7.9048 115.9760 53.8767 18.5220 178.0707 *70 T 4.3870 7.7534 117.2833 64.8221 70.5331 178.0866 71 L 4.3405 7.7493 120.0665 55.0644 40.9040 179.5722 *73 S 4.3781 8.2177 116.0309 58.4191 64.4705 175.3429 74 K 4.2338 8.1534 116.5959 56.5255 32.5315 176.5521 75 V 4.1797 7.6187 119.6323 61.2741 32.1123 175.6113 76 G 3.8498 8.7895 115.4682 45.7127 0.0000 172.6908 77 G 4.1478 7.5493 109.0463 43.1879 0.0000 173.7422 78 A 4.0201 8.6526 119.8342 55.4280 17.9373 179.9070 79 S 4.3305 8.3138 112.0981 61.7363 62.8262 176.2692 80 G 3.6974 8.4062 110.0699 47.1174 0.0000 173.6285 81 P 4.2594 0.0000 0.0000 64.8970 31.4097 178.7935 82 L 3.8401 7.8513 117.3476 58.0012 41.6953 178.9820 83 Y 4.2957 8.3234 116.8482 60.9877 37.8726 178.9651 84 G 3.7837 8.6130 106.9913 48.2313 0.0000 175.9918 85 S 4.1899 8.2405 117.6959 60.7480 62.5567 176.5133 86 A 3.6736 7.7914 122.9227 55.3640 18.1930 179.5076 87 F 3.9806 8.5228 115.0159 60.3079 39.2140 177.4493 88 L 4.2579 8.2573 120.0093 57.9416 41.8201 179.6336 89 A 3.9575 7.8455 118.8062 52.4839 18.1379 179.2006 *91 S 4.6631 8.0263 116.6813 60.0972 64.2484 176.1507 92 K 4.0670 8.1713 119.5279 59.7926 31.7470 179.4623 93 T 3.9310 8.4197 116.2006 66.7117 68.2183 176.4549 94 A 4.8269 7.5450 121.8991 54.4347 18.3813 179.3496 95 I 3.8375 7.4973 117.8538 63.7937 37.1614 177.2838 96 E 4.5158 8.1646 117.7658 56.6250 31.5396 176.3162 97 T 4.6591 7.2132 111.2561 60.8937 70.4138 173.3114 98 L 4.6406 8.3816 126.1648 54.3722 42.5221 176.5103 99 D 4.3501 7.9555 119.4162 55.1434 42.1524 177.2497 100 T 3.8273 8.5044 123.8133 66.8588 68.5845 176.8786 101 S 4.0462 7.9834 115.6493 61.3770 63.1205 176.0237 102 E 3.9680 8.7089 122.3238 59.1146 29.0823 179.3944 103 L 4.0657 7.9930 118.8737 58.0598 41.7625 179.5724 104 I 3.9655 7.8260 119.7111 64.5118 36.9814 177.8554 105 Y 3.9417 8.5261 120.5092 60.6017 38.6621 177.8250 106 A 4.1977 8.3980 121.7953 55.3322 18.4736 179.7721 107 G 3.3766 8.4633 104.3325 47.7573 0.0000 175.5547 108 L 3.6138 8.2913 123.4615 57.6518 42.0646 178.4931 109 E 3.6511 7.8991 118.9618 59.3093 29.4978 178.7450 110 A 3.8729 7.7996 120.6330 55.1021 18.3492 179.7220 111 I 3.4344 7.5071 118.3955 64.4690 37.0167 178.7324 112 Q 3.8655 8.1145 119.2156 58.7158 28.2832 178.6482 113 K 3.8463 7.9335 119.9805 59.3493 32.2608 178.5628 114 R 4.1156 7.7797 118.2226 58.6310 29.2174 177.7731 115 G 3.8674 8.1795 103.3120 43.3369 0.0000 174.2038 116 K 3.7741 7.9523 118.6651 57.1131 30.2291 175.1331 117 A 4.5051 7.1625 118.7282 51.4651 19.6190 178.4473 118 Q 4.4020 9.1563 121.6491 54.2334 30.2755 175.7854 119 V 3.7368 7.9870 119.8163 64.6975 31.9073 176.3211 120 G 3.9812 9.6731 115.5671 45.5858 0.0000 173.4510 121 E 4.2664 8.0246 117.1039 55.4857 29.9385 175.8369 122 K 4.1857 8.1561 117.8804 57.6745 31.5550 175.1575 123 T 4.6658 8.3640 108.6967 62.3514 68.6785 176.2116 *125 V 4.0094 9.0351 120.7724 62.7143 34.0733 175.9055 126 D 4.4016 8.3735 119.8688 57.3141 40.5580 178.4181 127 I 4.0194 7.8695 118.4386 63.3315 38.2243 177.6023 128 W 4.2947 8.5602 119.6376 59.8288 28.9120 178.2224 129 S 4.1144 8.5764 112.8025 61.4444 61.9380 175.9894 130 A 4.0112 8.1235 123.5316 55.1082 18.0340 179.4488 131 F 4.1195 8.7090 119.6085 61.1939 39.3748 177.0925 132 L 3.5761 7.8104 119.9326 58.1714 41.7451 178.4866 133 N 4.2391 8.1974 116.3782 56.5753 38.5187 177.0349 134 D 4.3836 7.8721 121.2309 56.8314 41.0582 178.8193 135 L 3.7888 7.5799 119.4338 57.8662 41.3630 179.4565 136 Q 4.1838 8.0595 116.4129 57.5088 28.6483 176.9705 137 T 4.3361 6.9851 108.8765 60.2012 69.5612 173.9252 138 D 4.2664 7.6583 119.4275 55.6465 39.4930 174.0199 139 S 4.5723 8.5520 108.6715 58.1090 64.8967 174.0158 140 A 4.2790 7.9220 124.0614 52.7589 18.8366 178.2575 141 S 4.6742 8.2465 115.1554 56.0396 66.7517 176.0211 142 K 3.9209 8.6146 124.0703 59.8389 31.9918 178.6238 143 D 4.3998 8.1629 118.5792 57.7758 40.6928 178.6092 144 N 4.4274 8.5698 117.0530 56.0491 38.4556 177.4913 145 L 4.0113 8.1886 120.6032 57.9720 41.8103 179.1427 146 E 3.9618 8.4804 119.3742 59.0137 29.4659 178.5744 147 K 3.8728 8.1406 119.7552 59.7022 32.3685 178.8903 148 V 3.6091 7.6262 118.1967 65.8325 31.1945 178.0381 149 V 3.5901 7.5611 117.0621 66.1254 31.8365 177.8959 150 K 4.1356 8.2625 117.9335 59.4229 31.6553 179.2694 151 A 4.1123 8.3288 121.1745 54.7738 18.0837 179.6887 152 S 4.0783 7.9982 112.6368 61.3806 62.8632 176.5857 153 A 4.4197 7.4243 125.7068 54.5342 17.9631 179.6595 154 G 3.8487 7.6601 104.2482 47.4567 0.0000 173.9849 155 L 4.2697 7.2904 120.3008 53.7561 42.4518 176.3563 156 L 4.0500 8.2979 124.1596 54.4582 42.7839 176.3229 157 A 4.3222 8.8444 130.2165 52.4715 18.6380 177.5122 158 T 4.6932 8.2638 112.0086 60.9965 69.5256 174.0305 159 K 4.4671 7.5084 119.8244 56.1050 36.3195 177.6531 160 G 3.9118 8.5953 110.2921 45.2930 0.0000 173.8732 161 R 4.1439 8.6030 115.8928 59.3608 29.9449 178.6590 162 A 4.2652 8.4173 121.7411 54.5506 18.2901 179.5488 163 S 4.6329 7.9048 113.7631 60.9820 62.7096 176.0273 164 Y 4.0587 8.0088 119.3005 59.8506 38.0790 176.8920 165 L 4.3920 8.2052 119.3965 54.0084 42.5417 177.9740 166 G 3.8034 8.4545 108.9315 46.0947 0.0000 176.9897 167 E 4.0092 8.7869 120.6157 59.0479 29.3649 178.8053 168 R 4.2325 7.7547 116.6615 57.5452 30.2087 177.4092 169 S 4.4408 8.2014 113.2746 59.6963 63.7561 174.4956 170 I 3.8579 7.3325 122.8388 62.6992 37.0732 176.1959 171 G 3.9225 9.5154 113.9264 45.2841 0.0000 172.6508 172 H 4.8867 7.7351 115.7127 53.3788 31.4995 173.2883 173 I 3.8908 8.3425 125.6264 60.9824 37.9192 175.8402 174 D 4.4512 8.8590 125.2414 53.2833 42.0470 175.3302 175 P 4.2842 0.0000 0.0000 66.0614 31.3343 178.7614 176 G 3.6545 7.9332 105.1668 47.3907 0.0000 175.5192 177 T 3.9044 8.1373 118.0091 66.4671 68.5704 176.4839 178 Q 3.7416 7.9095 121.2176 59.1330 28.9155 178.4246 179 S 4.2049 8.3604 115.6029 61.6607 63.1613 176.6449 180 S 3.9142 8.6745 118.8806 60.9245 62.4100 176.4744 181 A 3.8390 7.7158 123.6946 55.3626 18.2159 179.1771 182 Y 4.4566 7.5640 115.0181 61.1926 37.9803 178.7219 183 L 3.5832 7.7307 120.7269 58.2359 42.0374 179.1279 184 F 4.1945 7.3760 117.2665 59.9675 38.8527 177.5139 185 E 3.9683 8.6127 119.8405 59.6199 29.0279 179.1099 186 T 4.2315 8.1080 109.6262 64.5439 68.8895 176.2037 187 L 3.0919 7.9600 123.0843 57.8289 42.0180 178.9348 188 L 3.9969 8.1453 119.0672 57.9464 41.3215 179.2786 189 E 3.9832 7.9036 116.9959 59.2725 29.5048 179.1358 190 V 4.1026 7.3473 109.0581 62.0271 32.3435 177.7705 191 V 3.8900 7.7278 116.4948 64.3338 32.2714 175.3161 192 A 4.0979 7.8469 124.3871 52.6470 19.1866 176.2771 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 L 8.18 4.31 0.00 1.64 1.79 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.25 4.09 0.00 1.82 1.71 1.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.30 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 1.23 0.00 0.00 4 I 8.31 3.63 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.69 0.99 0.00 0.00 5 D 8.06 4.41 0.00 2.72 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 6 T 7.91 4.05 4.32 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 1.26 0.00 0.00 7 T 8.46 4.26 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 1.31 0.00 0.00 8 I 7.88 3.74 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.97 0.00 0.00 9 E 8.59 3.98 0.00 2.21 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 0.00 2.42 2.40 0.00 10 W 8.63 4.40 0.00 3.46 3.55 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 0.00 0.00 0.00 0.00 11 L 8.18 3.80 0.00 1.63 1.55 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.09 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.23 4.06 0.00 2.17 2.00 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 14 F 8.62 4.31 0.00 3.01 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 15 N 8.44 3.83 0.00 2.76 2.90 0.00 0.00 7.31 7.50 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 16 E 8.15 3.85 0.00 2.23 1.91 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 2.28 2.42 0.00 17 K 7.94 3.66 0.00 1.74 1.21 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.66 7.81 18 I 7.45 3.46 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.02 0.68 0.00 0.00 19 Q 7.88 3.90 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 20 E 8.02 4.10 0.00 1.95 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 2.27 2.40 0.00 21 N 7.68 4.97 0.00 2.71 3.03 0.00 0.00 6.82 7.53 0.00 0.00 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 K 7.59 3.98 0.00 2.23 2.20 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.45 7.81 23 A 8.01 4.00 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 24 Y 8.06 4.17 0.00 3.09 3.25 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 0.00 25 L 8.16 3.89 0.00 1.93 1.79 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.02 4.18 0.00 3.99 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 0.00 27 E 8.20 3.88 0.00 2.19 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 0.00 2.30 2.37 0.00 28 L 7.63 3.90 0.00 1.62 1.70 0.63 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.69 4.73 0.00 2.90 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 30 G 7.89 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 31 P 0.00 4.46 0.00 1.65 1.80 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 32 I 6.86 4.62 1.87 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 1.27 0.94 0.90 0.00 0.00 33 G 7.78 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 0.00 0.00 0.00 0.00 34 D 9.02 4.72 0.00 2.75 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 35 G 8.59 4.15 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 0.00 0.00 0.00 36 D 8.35 4.82 0.00 2.80 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 37 H 8.77 4.14 0.00 3.10 3.41 0.00 5.93 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 38 G 8.61 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 0.00 0.00 0.00 0.00 39 A 8.03 4.08 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 40 N 8.61 4.07 0.00 2.99 2.88 0.00 0.00 6.94 7.22 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 *42 A 7.98 4.10 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 43 R 7.47 4.03 0.00 1.92 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 54 V 7.65 3.74 2.03 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 0.69 0.00 0.00 0.92 0.00 0.00 55 S 7.13 4.23 0.00 3.30 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.94 4.58 0.00 2.51 2.60 0.00 0.00 6.99 7.02 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 57 F 8.51 5.04 0.00 3.11 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 58 G 9.25 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 59 N 7.61 4.82 0.00 2.95 2.93 0.00 0.00 5.93 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 60 V 8.11 3.27 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 0.38 0.00 0.00 0.84 0.00 0.00 61 S 8.07 4.14 0.00 4.05 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 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1.31 1.60 7.81 123 T 8.36 4.67 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 1.18 0.00 0.00 *125 V 9.04 4.01 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 0.98 0.00 0.00 0.82 0.00 0.00 126 D 8.37 4.40 0.00 2.83 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 0.00 127 I 7.87 4.02 1.96 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 1.85 1.55 1.04 0.00 0.00 128 W 8.56 4.29 0.00 3.46 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 0.00 129 S 8.58 4.11 0.00 3.99 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 0.00 130 A 8.12 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.12 0.00 2.82 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 0.00 132 L 7.81 3.58 0.00 1.77 1.78 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.20 4.24 0.00 2.96 2.84 0.00 0.00 7.09 7.62 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 0.00 134 D 7.87 4.38 0.00 2.75 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 0.00 135 L 7.58 3.79 0.00 1.49 1.43 0.16 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.06 4.18 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.16 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 137 T 6.99 4.34 4.21 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 1.22 0.00 0.00 138 D 7.66 4.27 0.00 2.71 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 0.00 139 S 8.55 4.57 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 A 7.92 4.28 1.14 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 0.00 0.00 141 S 8.25 4.67 0.00 4.04 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 0.00 142 K 8.61 3.92 0.00 1.89 1.89 0.00 1.89 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.59 7.81 143 D 8.16 4.40 0.00 2.75 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 0.00 144 N 8.57 4.43 0.00 2.98 3.02 0.00 0.00 7.10 6.50 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 0.00 145 L 8.19 4.01 0.00 1.92 1.74 0.93 0.69 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 0.00 146 E 8.48 3.96 0.00 2.10 2.13 0.00 0.00 0.00 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 0.00 147 K 8.14 3.87 0.00 1.99 2.05 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 V 7.63 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 0.99 0.00 0.00 1.04 0.00 0.00 149 V 7.56 3.59 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 0.91 0.00 0.00 0.93 0.00 0.00 150 K 8.26 4.14 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.74 7.81 151 A 8.33 4.11 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 0.00 152 S 8.00 4.08 0.00 4.11 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 0.00 153 A 7.42 4.42 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.66 3.85 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 0.00 0.00 0.00 155 L 7.29 4.27 0.00 1.71 1.61 0.93 1.05 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 0.00 156 L 8.30 4.05 0.00 1.58 1.57 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.84 4.32 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 0.00 158 T 8.26 4.69 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 1.18 0.00 0.00 159 K 7.51 4.47 0.00 1.67 1.66 0.00 1.94 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.42 1.33 7.81 160 G 8.60 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 0.00 161 R 8.60 4.14 0.00 1.90 2.01 0.00 3.13 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 162 A 8.42 4.27 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 0.00 163 S 7.90 4.63 0.00 3.87 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 0.00 164 Y 8.01 4.06 0.00 3.14 3.09 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 0.00 165 L 8.21 4.39 0.00 1.95 1.72 1.03 0.92 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 0.00 166 G 8.45 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 0.00 167 E 8.79 4.01 0.00 2.16 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 0.00 2.37 2.35 0.00 168 R 7.75 4.23 0.00 2.03 2.05 0.00 3.34 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 169 S 8.20 4.44 0.00 4.04 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 0.00 170 I 7.33 3.86 2.01 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 1.23 0.54 0.96 0.00 0.00 171 G 9.52 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 0.00 172 H 7.74 4.89 0.00 3.33 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.34 3.89 1.88 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 1.33 0.50 0.95 0.00 0.00 174 D 8.86 4.45 0.00 2.79 2.54 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 0.00 175 P 0.00 4.28 0.00 2.21 2.41 0.00 3.71 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 1.99 2.08 0.00 176 G 7.93 3.65 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 0.00 0.00 0.00 177 T 8.14 3.90 4.39 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 1.23 0.00 0.00 178 Q 7.91 3.74 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.40 1.83 0.00 179 S 8.36 4.20 0.00 4.34 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 0.00 180 S 8.67 3.91 0.00 4.03 3.47 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 0.00 181 A 7.72 3.84 1.25 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 0.00 0.00 0.00 182 Y 7.56 4.46 0.00 3.49 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 0.00 183 L 7.73 3.58 0.00 1.10 1.04 -0.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 184 F 7.38 4.19 0.00 2.50 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 0.00 185 E 8.61 3.97 0.00 2.07 2.31 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 2.43 2.41 0.00 186 T 8.11 4.23 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 187 L 7.96 3.09 0.00 1.20 1.67 -0.48 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.15 4.00 0.00 1.91 1.74 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 189 E 7.90 3.98 0.00 2.23 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 2.63 0.00 190 V 7.35 4.10 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 0.93 0.00 0.00 0.97 0.00 0.00 191 V 7.73 3.89 2.17 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 0.75 0.00 0.00 0.81 0.00 0.00 192 A 7.85 4.10 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 * Residues marked with a * may have inaccurate shift predictions.