NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4415 8.2893 118.1897 54.8810 32.7445 174.5166 2 T 3.9010 8.1077 109.3215 61.4291 70.0846 170.8220 3 E 5.1456 9.0414 122.0884 55.0281 34.1558 175.5417 4 Y 4.9143 8.9301 119.5349 55.9717 42.5322 174.4970 5 K 4.8304 9.3759 124.0917 55.1533 33.7710 175.4237 6 L 5.0665 8.9979 125.9970 52.9012 44.8607 176.0384 7 V 4.7687 8.0961 120.7280 61.1251 35.1439 174.1738 8 V 4.7276 9.0385 127.8366 61.4186 33.3935 174.8408 9 V 4.7550 9.2628 120.3642 57.9834 36.1380 174.9209 10 G 4.0116 7.9063 107.8636 43.3491 0.0000 172.7444 11 A 4.3831 7.4191 122.6013 50.9012 18.9876 177.4009 12 G 3.7430 8.4852 109.0008 47.3307 0.0000 174.3632 13 G 3.9972 8.9799 111.4619 45.4166 0.0000 174.6289 14 V 3.7364 7.2266 112.1819 62.3717 31.9388 177.0260 15 G 4.2636 8.5595 109.3351 45.6475 0.0000 175.7432 16 K 3.8313 8.5807 121.1137 59.5085 32.0035 179.1774 17 S 4.1101 8.1315 115.6432 60.9488 62.7212 176.4432 18 A 3.9186 7.7767 122.9420 54.9592 18.1594 179.5617 19 L 3.9538 8.2431 117.8644 58.2226 41.6840 179.7573 20 T 3.6741 7.8431 115.5252 66.8194 68.4163 176.8313 21 I 3.4137 7.7805 121.9153 63.9854 37.0138 178.1724 22 Q 4.0725 8.0860 122.0697 58.4147 28.6380 178.3061 23 L 3.7325 7.5005 119.6542 58.2201 42.1653 178.7634 24 I 3.8564 7.6359 118.4722 63.7168 37.3390 177.0129 25 Q 4.4646 8.0534 115.0485 54.7323 29.8485 175.0908 26 N 4.4537 8.0564 114.6469 53.7570 36.6798 173.5974 27 H 4.9133 7.5944 110.2660 54.2187 31.6036 171.7097 28 F 4.6887 8.7278 123.3178 57.1397 40.0911 175.3844 29 V 3.8982 7.7807 121.9919 60.0416 32.0530 175.9835 30 D 4.0611 8.2140 124.5560 54.9416 39.9430 175.7760 31 E 4.6428 7.5105 118.3088 55.6075 32.3355 173.5990 32 Y 4.3149 8.4476 124.1296 56.3018 41.7846 173.1534 33 D 4.2869 8.5767 126.8341 53.9738 41.0751 175.3811 34 P 4.5820 0.0000 0.0000 64.6406 31.5345 176.9386 35 T 4.2614 8.2735 108.8202 62.1219 69.4637 174.8781 36 I 3.9599 7.6315 124.0075 61.1433 37.0328 174.5691 37 E 5.0741 8.5976 126.7444 53.6881 31.4272 174.3069 38 D 4.6582 8.6637 124.4904 53.4549 45.1686 173.3853 39 S 5.2872 8.2714 117.7638 57.3281 64.8966 173.4055 40 Y 4.7057 9.1525 121.1998 56.1970 41.0637 174.6020 41 R 5.1454 8.4896 123.7326 54.8116 33.2451 174.9496 42 K 4.3874 8.4186 122.8165 55.4171 36.3616 174.1454 43 Q 4.5793 8.8396 129.6981 56.3834 29.8062 175.1120 44 V 4.6379 8.9509 118.8137 59.8303 37.0395 174.0115 45 V 4.7265 8.3249 120.7157 61.3477 33.5300 174.7298 46 I 3.9936 8.4908 128.9174 60.2815 39.0635 175.3836 47 D 4.4947 9.8201 126.0263 55.3041 38.2391 175.1473 48 G 3.9121 8.5006 106.7699 45.1196 0.0000 173.4608 49 E 4.4697 8.0674 122.3998 55.0515 31.1122 175.2453 50 T 4.7351 8.5228 124.5426 63.7160 69.3475 173.5244 51 C 4.8479 9.2024 120.2135 57.2906 34.1127 172.1104 52 L 5.0120 8.8923 121.6850 53.3911 43.9198 174.7776 53 L 5.1016 8.8411 126.6207 53.3067 44.1986 174.9545 54 D 5.1483 9.1162 123.2070 52.6742 43.8431 174.4868 55 I 4.9329 8.9720 128.0794 59.4706 39.9804 174.7140 56 L 4.7727 9.0881 131.0564 54.0617 43.1683 175.2506 57 D 5.1485 9.2329 128.8072 53.4186 41.5298 175.7670 58 T 4.7240 8.4562 116.9917 61.2471 70.6674 173.8230 59 A 4.7183 9.2564 125.0847 50.6636 22.2468 177.2910 60 G 3.8696 8.3951 110.8219 44.2786 0.0000 173.0221 *72 M 4.6097 8.1643 126.6007 56.5924 34.2190 178.6302 73 R 4.1000 8.1256 115.2161 59.0017 29.6485 179.2802 74 T 4.3951 7.8809 104.5728 61.7029 69.5308 175.2595 75 G 3.4483 7.7924 112.6233 46.3782 0.0000 173.3620 76 E 4.4728 8.9112 123.2170 57.1691 30.9463 176.4899 77 G 4.3189 7.3395 104.9832 44.9901 0.0000 172.0471 78 F 5.4078 9.0490 120.3155 55.3715 43.1420 173.9376 79 L 4.7606 8.9024 123.9811 54.0091 43.2303 175.4859 80 C 4.8684 9.0507 122.8992 58.4725 29.2189 172.7468 81 V 4.8702 8.6638 125.4986 60.9699 33.4999 174.6361 82 F 5.1330 9.0358 121.8128 55.0512 42.0478 173.1860 83 A 5.1824 8.8672 120.9045 50.0562 20.8357 178.3285 84 I 4.1197 8.9404 115.7675 62.7523 37.9601 176.9550 85 N 5.1562 8.0416 118.1076 52.4522 37.5773 175.4886 86 N 4.8427 8.2587 118.6991 51.7439 40.3563 173.5422 87 S 4.1288 8.3513 122.2599 61.2325 62.6471 175.6115 88 K 4.0072 8.2575 121.7883 59.5586 31.6784 178.6499 89 S 4.2683 8.4256 113.9161 61.2724 63.1740 176.1013 90 F 3.9935 8.1468 124.0788 60.9703 39.1441 176.7434 91 A 3.8806 8.2033 120.4330 55.5599 18.1620 179.2291 92 D 4.3771 8.4199 116.3338 56.4940 40.7828 178.5755 93 I 3.8871 7.5474 121.3223 64.8124 37.1376 177.5545 94 N 4.4589 7.6569 118.1864 56.0087 38.6618 176.9461 95 L 3.8512 7.7951 120.5663 57.8534 41.7217 179.1155 96 Y 3.9967 7.5440 116.1377 60.9370 37.9243 178.0935 97 R 3.7996 8.2132 119.8969 59.5091 30.0359 178.4520 98 E 3.8533 8.1238 118.2133 59.3356 29.3482 179.0708 99 Q 3.9169 8.0806 118.2084 59.2314 28.8186 179.4702 100 I 3.3194 7.6572 120.4265 64.0886 37.0780 178.4952 101 K 4.2285 7.7801 120.6495 58.9745 31.9339 179.6509 102 R 3.9168 8.1048 118.4806 59.1911 29.8453 179.5091 103 V 3.6782 7.8929 118.1102 64.1341 31.4730 177.5930 104 K 4.2500 7.9694 116.2833 55.1004 33.2646 175.6192 105 D 4.3576 7.7333 118.5404 54.1167 40.2052 173.1794 106 S 4.6091 7.9172 110.9217 57.7140 66.0601 174.5053 107 D 4.5278 8.8717 128.0880 56.2240 41.1568 177.3928 108 D 4.8870 8.0688 117.5900 52.5877 40.0711 182.0392 109 V 3.4297 7.5208 120.2361 62.8396 32.0989 174.0340 110 P 4.4535 0.0000 0.0000 63.5340 32.0301 175.1196 111 M 5.3565 8.4121 120.1109 54.2261 34.6223 174.0966 112 V 4.6126 8.5379 118.8106 61.1367 35.5334 173.7575 113 L 4.9271 9.0487 130.1135 54.3734 43.6263 175.1759 114 V 4.5325 9.1149 126.8011 61.0378 34.2651 174.3464 115 G 3.3083 8.4940 116.0294 44.5496 0.0000 172.4192 116 N 5.2591 8.6555 126.1547 51.4031 41.7386 174.7046 117 K 4.2941 8.3487 116.4747 58.0393 28.8818 178.0935 118 C 4.3458 8.0462 117.3366 61.6195 28.0245 175.0317 119 D 4.4156 7.9221 119.5019 55.3924 39.4001 176.2511 120 L 4.3741 7.6626 120.4473 53.5453 42.2592 175.0922 121 P 4.4923 0.0000 0.0000 63.8803 32.4060 176.3614 122 T 4.3495 7.4130 111.2294 60.9398 68.3618 175.3215 123 R 4.2690 7.6909 121.4875 57.2929 30.9993 175.5028 124 T 4.4611 8.9930 114.0347 60.9026 69.8897 173.6904 125 V 4.1304 7.6590 122.3008 60.9184 33.1445 175.2368 126 D 4.6962 8.6351 128.1201 52.6849 41.9484 177.1783 127 T 3.9312 8.2422 113.2651 64.8410 67.1903 176.0391 128 K 3.8785 7.9784 121.4236 59.4295 32.3454 178.4814 129 Q 3.8276 8.6464 118.4955 58.9255 28.6034 179.0060 130 A 3.7823 7.5316 121.4359 55.3869 18.3117 179.4277 131 H 3.9803 8.0867 114.9794 59.0423 28.7543 177.9729 132 E 3.9280 8.4344 120.7202 59.0386 29.3455 179.1745 133 L 3.5773 7.9210 120.1937 58.0253 42.1939 178.7778 134 A 4.0898 7.8653 120.6201 55.3473 18.2427 179.7993 135 K 4.0068 8.2378 116.8910 59.6786 31.8643 179.7780 136 S 4.1347 7.8856 114.6872 61.1152 62.8052 175.3720 137 Y 4.8431 7.8646 117.4782 56.8023 38.1456 175.9273 138 G 3.9344 7.9287 107.8378 46.6812 0.0000 173.2442 139 I 4.8292 7.6869 110.7106 57.7058 41.1307 173.5694 140 P 4.5346 0.0000 0.0000 62.7316 32.5661 174.9401 141 F 5.4853 8.8093 125.4052 56.6789 41.4037 174.6557 142 I 4.1789 8.2847 128.8875 59.8738 40.4790 174.8804 143 E 4.6335 8.2231 125.3924 55.8164 30.6209 172.5496 144 T 4.7958 8.7439 114.3883 58.9268 73.1246 173.0812 145 S 4.6576 8.7762 116.3183 56.3650 64.4559 174.5436 146 A 3.9480 8.6875 131.3003 54.9287 18.6000 178.6979 147 K 2.4800 7.6950 116.4967 58.7982 32.1969 177.7474 148 T 4.0545 7.3664 106.2265 61.3763 69.7560 175.5930 149 R 4.0347 8.3304 122.5633 55.4841 30.2372 175.4568 150 Q 4.0340 7.5595 115.4295 58.4871 28.7573 178.4149 151 G 3.8250 8.8274 108.5677 46.3784 0.0000 175.7002 152 V 3.4946 7.6249 119.5422 66.1153 31.5160 177.5495 153 E 3.4502 7.9585 117.7746 59.3492 29.1606 178.6096 154 D 4.2065 7.9433 117.1145 57.2657 41.2925 178.1354 155 A 3.8080 8.1216 121.2824 55.2403 18.4315 179.7043 156 F 4.0542 7.8633 115.7278 61.0104 38.9391 177.7050 157 Y 4.2967 8.9032 116.8499 61.2151 37.6063 178.3234 158 T 3.8740 8.3512 117.2360 66.4395 68.4939 176.1761 159 L 3.8929 7.7538 121.6833 58.2534 42.0519 178.9843 160 V 3.2260 7.7830 118.0006 66.2796 31.3107 178.2526 161 R 3.9206 8.2897 117.8205 59.1595 29.8534 178.8786 162 E 4.0514 8.5926 119.0105 59.4129 29.3925 179.5210 163 I 3.8693 7.9588 119.9623 64.3665 36.9991 178.3854 164 R 4.1405 8.3111 120.6678 60.2381 30.0453 179.3497 165 Q 4.2243 8.0022 118.6417 60.4890 28.2196 179.4263 166 Y 4.4528 8.0082 120.5527 60.5108 38.9273 176.6955 167 R 4.1975 8.4789 122.6702 56.4748 30.3395 176.2976 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 8.29 4.44 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 T 8.11 3.90 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 1.18 0.00 0.00 3 E 9.04 5.15 0.00 1.72 1.71 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 2.11 1.86 0.00 4 Y 8.93 4.91 0.00 2.80 2.80 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 5 K 9.38 4.83 0.00 1.69 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 6 L 9.00 5.07 0.00 1.63 1.60 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.10 4.77 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 1.15 0.00 0.00 0.62 0.00 0.00 8 V 9.04 4.73 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 0.88 0.00 0.00 1.08 0.00 0.00 9 V 9.26 4.76 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 1.09 0.00 0.00 1.00 0.00 0.00 10 G 7.91 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 0.00 0.00 0.00 11 A 7.42 4.38 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 12 G 8.49 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 13 G 8.98 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 0.00 0.00 0.00 14 V 7.23 3.74 2.10 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 0.80 0.00 0.00 1.01 0.00 0.00 15 G 8.56 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 16 K 8.58 3.83 0.00 1.78 1.98 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 S 8.13 4.11 0.00 3.63 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 18 A 7.78 3.92 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 19 L 8.24 3.95 0.00 1.91 1.89 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.84 3.67 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 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 21 I 7.78 3.41 1.54 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.20 0.69 0.00 0.00 22 Q 8.09 4.07 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 23 L 7.50 3.73 0.00 1.13 1.26 0.75 0.06 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 24 I 7.64 3.86 1.76 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 1.50 0.83 0.94 0.00 0.00 25 Q 8.05 4.46 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 26 N 8.06 4.45 0.00 2.89 2.90 0.00 0.00 6.72 8.17 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 27 H 7.59 4.91 0.00 3.26 3.35 0.00 5.44 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.73 4.69 0.00 2.98 3.05 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 29 V 7.78 3.90 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 0.82 0.00 0.00 0.71 0.00 0.00 30 D 8.21 4.06 0.00 2.71 2.67 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 31 E 7.51 4.64 0.00 1.88 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 0.00 2.19 2.28 0.00 32 Y 8.45 4.31 0.00 2.85 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 33 D 8.58 4.29 0.00 2.56 2.44 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 34 P 0.00 4.58 0.00 2.26 2.21 0.00 3.82 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 2.01 1.98 0.00 35 T 8.27 4.26 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 1.23 0.00 0.00 36 I 7.63 3.96 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 1.09 0.00 0.00 37 E 8.60 5.07 0.00 2.01 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 2.23 2.36 0.00 38 D 8.66 4.66 0.00 2.71 1.80 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 39 S 8.27 5.29 0.00 3.72 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 40 Y 9.15 4.71 0.00 2.74 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 41 R 8.49 5.15 0.00 2.05 1.78 0.00 3.39 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 0.00 42 K 8.42 4.39 0.00 1.88 1.56 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.40 7.81 43 Q 8.84 4.58 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 44 V 8.95 4.64 2.11 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 0.73 0.00 0.00 0.85 0.00 0.00 45 V 8.32 4.73 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 0.84 0.00 0.00 0.93 0.00 0.00 46 I 8.49 3.99 1.55 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.52 0.00 0.00 47 D 9.82 4.49 0.00 2.77 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 48 G 8.50 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 49 E 8.07 4.47 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 2.29 2.30 0.00 50 T 8.52 4.74 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 51 C 9.20 4.85 0.00 3.26 3.14 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 52 L 8.89 5.01 0.00 1.76 1.54 0.97 1.05 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 53 L 8.84 5.10 0.00 1.63 1.57 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.12 5.15 0.00 2.69 2.51 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 55 I 8.97 4.93 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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 1.23 0.00 0.00 75 G 7.79 3.45 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 0.00 76 E 8.91 4.47 0.00 1.98 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 2.32 2.44 0.00 77 G 7.34 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 0.00 0.00 0.00 0.00 78 F 9.05 5.41 0.00 2.88 2.93 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 79 L 8.90 4.76 0.00 1.46 1.43 -0.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.05 4.87 0.00 2.96 2.97 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 81 V 8.66 4.87 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 0.88 0.00 0.00 0.83 0.00 0.00 82 F 9.04 5.13 0.00 3.30 3.22 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 83 A 8.87 5.18 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 84 I 8.94 4.12 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 1.36 1.14 0.96 0.00 0.00 85 N 8.04 5.16 0.00 2.91 2.98 0.00 0.00 5.76 8.04 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 86 N 8.26 4.84 0.00 2.82 2.80 0.00 0.00 6.86 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 87 S 8.35 4.13 0.00 4.13 3.90 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 0.00 0.00 0.00 88 K 8.26 4.01 0.00 1.95 2.01 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.34 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.63 7.81 89 S 8.43 4.27 0.00 4.24 4.12 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 90 F 8.15 3.99 0.00 2.69 3.14 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 91 A 8.20 3.88 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 92 D 8.42 4.38 0.00 3.06 2.97 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 93 I 7.55 3.89 1.78 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.88 1.08 0.00 0.00 94 N 7.66 4.46 0.00 2.89 2.78 0.00 0.00 6.81 6.54 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 95 L 7.80 3.85 0.00 1.31 1.32 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.54 4.00 0.00 3.17 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 97 R 8.21 3.80 0.00 1.48 1.75 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.29 0.00 98 E 8.12 3.85 0.00 2.13 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 2.40 2.43 0.00 99 Q 8.08 3.92 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 100 I 7.66 3.32 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.63 0.03 0.00 0.00 101 K 7.78 4.23 0.00 1.86 1.79 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.28 7.81 102 R 8.10 3.92 0.00 1.92 1.93 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 103 V 7.89 3.68 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 0.72 0.00 0.00 0.96 0.00 0.00 104 K 7.97 4.25 0.00 1.78 1.90 0.00 1.96 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.59 7.81 105 D 7.73 4.36 0.00 2.74 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 0.00 106 S 7.92 4.61 0.00 3.91 3.63 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 0.00 107 D 8.87 4.53 0.00 2.72 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 0.00 108 D 8.07 4.89 0.00 2.67 2.52 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 0.00 109 V 7.52 3.43 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 1.03 0.00 0.00 0.90 0.00 0.00 110 P 0.00 4.45 0.00 2.19 1.96 0.00 3.46 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 111 M 8.41 5.36 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 112 V 8.54 4.61 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 1.02 0.00 0.00 0.92 0.00 0.00 113 L 9.05 4.93 0.00 2.07 1.99 1.31 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.11 4.53 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 0.77 0.00 0.00 0.75 0.00 0.00 115 G 8.49 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 0.00 0.00 0.00 116 N 8.66 5.26 0.00 2.65 2.69 0.00 0.00 7.12 7.18 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 0.00 117 K 8.35 4.29 0.00 2.02 1.92 0.00 2.21 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.39 7.81 118 C 8.05 4.35 0.00 3.01 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 0.00 119 D 7.92 4.42 0.00 2.74 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 0.00 120 L 7.66 4.37 0.00 1.76 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.49 0.00 2.17 2.15 0.00 3.75 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 1.97 1.94 0.00 122 T 7.41 4.35 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 0.00 123 R 7.69 4.27 0.00 1.81 1.88 0.00 3.18 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 124 T 8.99 4.46 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 1.27 0.00 0.00 125 V 7.66 4.13 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 -0.16 0.00 0.00 0.86 0.00 0.00 126 D 8.64 4.70 0.00 2.95 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 0.00 127 T 8.24 3.93 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 1.23 0.00 0.00 128 K 7.98 3.88 0.00 1.82 1.91 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 129 Q 8.65 3.83 0.00 1.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 130 A 7.53 3.78 0.50 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 0.00 0.00 131 H 8.09 3.98 0.00 3.27 3.35 0.00 5.82 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 0.00 132 E 8.43 3.93 0.00 2.00 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 2.30 2.41 0.00 133 L 7.92 3.58 0.00 1.81 1.72 0.21 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.87 4.09 1.55 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 0.00 0.00 135 K 8.24 4.01 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.68 7.81 136 S 7.89 4.13 0.00 3.56 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 0.00 137 Y 7.86 4.84 0.00 3.16 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 139 I 7.69 4.83 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 1.04 0.00 0.00 140 P 0.00 4.53 0.00 2.13 2.04 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 141 F 8.81 5.49 0.00 2.96 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 0.00 142 I 8.28 4.18 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.03 0.70 0.00 0.00 143 E 8.22 4.63 0.00 1.75 1.74 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 2.20 1.87 0.00 144 T 8.74 4.80 4.12 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 1.04 0.00 0.00 145 S 8.78 4.66 0.00 3.75 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 0.00 146 A 8.69 3.95 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 0.00 147 K 7.69 2.48 0.00 0.79 1.37 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.04 0.63 7.81 148 T 7.37 4.05 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 1.08 0.00 0.00 149 R 8.33 4.03 0.00 1.95 2.15 0.00 3.20 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 150 Q 7.56 4.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.51 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 151 G 8.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.49 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 1.12 0.00 0.00 0.90 0.00 0.00 153 E 7.96 3.45 0.00 1.73 1.12 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 1.89 2.13 0.00 154 D 7.94 4.21 0.00 2.68 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 0.00 155 A 8.12 3.81 1.07 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 0.00 0.00 156 F 7.86 4.05 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.90 4.30 0.00 2.98 2.90 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 0.00 0.00 0.00 158 T 8.35 3.87 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 1.21 0.00 0.00 159 L 7.75 3.89 0.00 1.85 1.89 0.96 0.71 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 0.00 160 V 7.78 3.23 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 0.05 0.00 0.00 0.65 0.00 0.00 161 R 8.29 3.92 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 162 E 8.59 4.05 0.00 2.15 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 0.00 2.59 2.52 0.00 163 I 7.96 3.87 2.15 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 1.72 0.79 1.21 0.00 0.00 164 R 8.31 4.14 0.00 2.03 2.08 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 165 Q 8.00 4.22 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 166 Y 8.01 4.45 0.00 3.07 3.28 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 0.00 167 R 8.48 4.20 0.00 2.03 1.87 0.00 3.35 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.