NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4231 8.3049 118.1936 54.6427 32.5852 174.4651 2 I 3.8112 8.0299 120.2972 60.6152 37.6420 175.2657 3 S 4.2867 9.1766 122.4196 59.8415 64.3477 174.3958 4 G 3.9355 7.1055 104.9403 46.1140 0.0000 170.8000 5 L 4.2359 8.3312 122.8676 54.6450 43.0780 177.2654 6 S 4.4983 8.4959 121.1265 59.2550 62.9365 173.0831 7 H 4.6068 6.8424 111.4932 55.3013 30.6583 172.4590 8 I 4.4812 7.8579 118.4949 59.6999 40.5807 174.9193 9 T 5.0411 8.4758 122.8128 61.7453 70.7638 173.5188 10 L 4.8430 8.8760 125.8595 52.9339 45.3310 175.2979 11 I 5.1185 8.4082 121.8819 59.8437 39.3200 175.5045 12 V 4.8703 8.8962 119.5602 59.3749 35.5400 177.0847 13 K 4.2429 9.2930 122.4634 58.5505 33.0122 176.9784 14 D 4.8116 7.8264 117.7910 51.1711 43.0347 175.1850 15 L 4.0743 8.7506 129.1601 58.3598 42.0955 178.4632 16 N 4.4066 8.2353 115.7606 56.3325 38.4286 177.2163 17 K 4.0400 8.8123 121.3653 59.8135 32.2875 179.1006 18 T 4.2517 8.3257 116.1632 66.8095 68.2724 176.9381 19 T 3.8472 8.3838 117.8302 66.5238 68.4702 176.5264 20 A 4.0484 8.0276 122.8030 54.9578 18.3957 179.2666 21 F 4.1736 8.2590 119.2983 61.7064 39.4882 177.4215 22 L 4.0484 8.1807 118.3650 58.0093 41.2599 179.6676 23 Q 4.1366 8.3038 118.0749 58.6471 28.3476 178.5829 24 N 4.2877 8.0010 116.9635 56.2243 38.8524 177.3015 25 I 3.5969 7.2472 119.4605 63.5248 37.3942 177.0834 26 F 4.4689 7.5453 114.5880 56.4118 39.0344 175.3817 27 N 4.4652 8.4400 115.5199 52.4582 36.0836 174.0380 28 A 4.1929 8.1900 118.3819 52.8276 19.1993 177.6904 29 E 4.4944 9.1360 124.0338 54.4379 30.8915 174.6964 30 E 4.4671 9.0317 129.3613 56.4699 30.0223 176.2122 31 I 4.5996 8.3879 126.1546 60.9674 39.1255 174.8516 32 Y 4.5287 7.3466 121.2430 56.8264 42.2275 173.1098 33 S 4.3474 7.5725 120.1398 56.1406 65.3298 174.7365 34 S 3.2508 8.5237 123.5658 61.0506 62.6543 176.8765 35 G 3.5803 7.6870 108.6375 47.8753 0.0000 174.3456 36 D 4.3516 8.4777 120.8096 56.2107 40.9005 175.6142 37 K 4.6415 7.4422 116.6271 55.3402 35.7034 174.7691 38 T 4.2624 8.4048 110.6320 61.5587 70.2539 171.5556 *39 F 3.5512 8.7982 129.1934 56.1950 35.3256 171.5282 40 S 4.7107 8.0042 120.2654 55.2707 64.9570 174.7244 41 L 4.1181 8.7610 128.0747 57.9872 41.5825 177.1465 42 S 4.4825 7.4670 111.3293 57.4275 65.9988 174.8867 43 K 4.4671 8.5203 125.2427 54.8894 32.1488 176.3298 44 E 5.3256 8.9986 123.4802 54.1796 33.7637 174.4814 45 K 4.8176 9.3401 119.1316 54.9681 37.0906 175.1600 46 F 5.8324 8.8720 122.6887 56.1070 41.6074 174.8560 47 F 5.5809 10.2186 121.5878 55.7744 43.8377 173.8993 48 L 5.2170 9.0777 120.5533 53.4086 44.2216 176.0077 49 I 4.5980 8.9004 125.7914 58.9566 39.5308 175.9395 50 A 3.7520 9.6215 133.0338 53.0727 15.8659 175.5468 51 G 4.3905 8.2393 111.0797 45.3197 0.0000 173.7277 52 L 4.1392 7.7757 119.5262 54.2306 42.4328 176.0821 53 W 5.1664 8.8415 133.2967 56.8489 31.4134 174.3257 54 I 4.9141 9.1420 129.4133 59.8446 38.9346 174.6959 55 C 5.5364 9.1207 124.9783 58.0282 31.1536 172.9311 56 I 5.1413 9.4165 123.7975 59.8657 40.2162 174.4276 57 M 5.2551 8.8845 125.6176 53.3635 35.6669 174.4000 58 E 4.6541 9.4051 125.4147 56.2207 30.8793 175.8504 59 G 4.1663 9.5208 113.4643 46.2097 0.0000 172.6000 60 D 4.7063 8.7007 117.8346 54.5898 42.1443 176.4821 61 S 4.0855 8.3068 116.0355 59.6282 63.3243 175.3746 62 L 4.8172 8.0673 126.0662 51.6796 41.2433 172.1700 63 Q 4.0351 7.8643 119.6616 55.8816 29.5906 178.1352 64 E 4.2304 8.3802 118.6837 56.0561 30.3308 176.7620 65 R 4.3244 8.2469 119.8037 56.2862 30.7592 176.3002 66 T 4.7390 8.0864 111.0224 60.5598 71.9485 172.6087 67 Y 4.5990 8.5005 120.1382 57.7137 38.6449 174.5776 68 N 4.3895 7.7983 116.9953 53.6162 38.8835 173.9287 69 H 4.8336 7.9564 117.2085 54.5361 32.1597 172.3804 70 I 4.3509 7.7855 117.8875 59.2677 39.7344 174.6588 71 A 5.1706 8.2732 127.7817 50.2011 21.2865 175.3737 72 F 4.7307 9.5207 121.5738 55.8888 41.8840 174.8795 73 Q 4.9525 8.7060 122.7984 55.6802 30.1973 174.5767 74 I 4.7384 8.6057 118.2454 59.8714 42.0272 173.6285 75 Q 4.8480 8.6263 121.3728 54.7455 30.2461 177.7912 76 S 4.2593 8.6488 116.0721 61.0968 63.0198 176.0488 77 E 4.1361 8.1763 120.7533 58.0377 29.6905 177.3905 78 E 4.5415 7.8458 117.7857 56.1732 29.9863 177.8046 79 V 3.6808 7.5440 120.8152 66.0544 31.5996 177.6998 80 D 4.3309 8.0314 118.0947 57.4691 40.7542 178.2996 81 E 3.8822 8.1397 118.5024 59.8188 29.4673 179.0375 82 Y 3.7781 8.0388 116.5922 61.1761 37.8457 178.5164 83 T 3.8603 8.0536 116.8694 66.3443 68.4763 176.4188 84 E 3.8660 8.1541 121.3535 59.3887 29.5225 179.0491 85 R 3.9141 7.7490 116.8736 59.1535 30.4339 178.9320 86 I 3.6612 7.7289 119.6850 63.9125 37.0524 178.1726 87 K 3.8567 8.0989 120.3255 59.6651 31.8339 178.5768 88 A 4.0021 8.2061 119.7433 54.7846 18.0443 178.5713 89 L 4.4374 7.7636 115.2625 54.0747 41.6581 177.9453 90 G 4.3691 8.0533 107.0011 46.1830 0.0000 174.4437 91 V 4.0570 7.1842 112.4526 60.3221 32.3826 175.8429 92 E 4.2756 8.9436 125.0158 56.8200 30.7189 175.1573 93 M 5.3083 8.6380 125.5943 53.4574 34.9568 175.7941 94 K 4.4437 9.1508 123.1766 55.5473 33.2658 175.2511 95 P 4.6117 0.0000 0.0000 61.6022 32.1748 176.2420 96 E 4.1829 8.5022 117.9165 56.6682 29.9515 177.1426 97 R 4.3453 8.3674 120.7811 54.6473 31.4144 174.6766 98 P 4.5136 0.0000 0.0000 62.7871 32.0227 176.3682 99 R 4.8036 8.0585 118.9614 54.6899 34.3389 175.4854 100 V 4.1118 8.2692 114.1818 59.9990 33.0052 175.6422 101 Q 4.0848 8.3317 120.6750 57.5133 28.6748 176.6596 102 G 4.1462 9.0934 111.6985 45.5932 0.0000 173.6918 103 E 4.0728 7.8820 121.3266 57.0810 30.0055 178.2027 104 G 4.0916 8.0704 101.1123 45.1297 0.0000 172.8700 105 R 4.2821 8.1672 118.2438 56.3312 31.2597 176.0151 106 S 5.1585 8.5526 117.0142 57.0449 67.6849 173.2755 107 I 4.6879 8.4244 122.0832 59.8255 40.4622 174.0891 108 Y 5.3797 8.7289 124.1348 56.2737 41.0107 174.6540 109 F 5.4348 8.6886 117.2377 56.4341 41.8505 172.7059 110 Y 5.2915 8.9461 118.0586 55.9229 40.2069 175.5766 111 D 3.9919 8.6113 120.5917 53.1870 39.8980 177.1337 112 F 4.9100 7.8984 119.4736 57.7367 39.5338 175.2184 113 D 4.8889 7.6009 120.0190 54.6239 41.5983 174.7926 114 N 4.2238 8.3093 109.9113 54.7366 36.5573 174.5372 115 H 4.7558 8.7292 116.4251 53.9608 30.4638 174.3793 116 L 3.7453 8.2526 127.0004 54.7535 43.0384 175.6960 117 F 5.0385 8.9965 125.0026 55.7046 42.6405 174.1210 118 E 4.9054 8.9921 120.6328 54.5147 33.7170 174.1294 119 L 5.1828 8.6446 125.3849 53.4197 44.6229 174.6737 120 H 5.2828 9.4905 124.9792 54.2504 31.8144 174.3853 121 A 5.3760 8.4853 126.7999 51.1826 19.6853 176.5623 122 G 4.0877 6.9206 106.9741 44.5374 0.0000 172.9532 123 T 4.7453 7.9026 107.2853 58.6898 72.0559 174.2705 124 L 4.0850 8.5133 124.0491 58.2918 41.8572 178.8199 125 E 3.9397 8.1783 118.9498 59.2376 29.3519 178.1155 126 E 4.0320 7.8070 117.9733 58.2642 29.8559 177.7019 127 R 4.2536 7.7168 116.7442 57.0289 30.3188 176.2212 128 L 4.6183 7.4655 116.2963 55.0161 43.4937 178.0477 129 K 3.7417 7.6921 119.3867 58.6844 32.2546 177.0245 130 R 4.3861 7.2070 119.3334 55.2543 31.3874 176.6403 *131 Y 4.2126 8.4066 116.5523 57.5207 36.7230 176.9542 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 4.42 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 I 8.03 3.81 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 1.40 0.14 0.91 0.00 0.00 3 S 9.18 4.29 0.00 3.87 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 4 G 7.11 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 5 L 8.33 4.24 0.00 1.58 1.58 0.85 0.78 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 6 S 8.50 4.50 0.00 3.91 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 7 H 6.84 4.61 0.00 2.47 2.40 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.86 4.48 1.83 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 1.11 0.60 0.82 0.00 0.00 9 T 8.48 5.04 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 1.21 0.00 0.00 10 L 8.88 4.84 0.00 1.59 1.35 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.41 5.12 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 1.01 0.00 0.00 12 V 8.90 4.87 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 1.05 0.00 0.00 1.11 0.00 0.00 13 K 9.29 4.24 0.00 1.89 1.97 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.36 7.81 14 D 7.83 4.81 0.00 2.68 2.57 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 15 L 8.75 4.07 0.00 1.91 1.73 1.10 0.61 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 16 N 8.24 4.41 0.00 2.94 2.90 0.00 0.00 6.71 7.03 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 17 K 8.81 4.04 0.00 1.86 1.76 0.00 1.29 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 1.30 7.81 18 T 8.33 4.25 4.52 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 1.33 0.00 0.00 19 T 8.38 3.85 4.56 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 1.59 0.00 0.00 20 A 8.03 4.05 1.47 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 0.00 0.00 21 F 8.26 4.17 0.00 3.28 3.32 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 22 L 8.18 4.05 0.00 1.50 1.36 0.44 0.43 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 23 Q 8.30 4.14 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 24 N 8.00 4.29 0.00 2.75 2.76 0.00 0.00 7.06 7.03 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 25 I 7.25 3.60 0.86 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.03 -0.18 0.00 0.00 26 F 7.55 4.47 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 27 N 8.44 4.47 0.00 2.84 2.89 0.00 0.00 7.22 7.35 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 28 A 8.19 4.19 1.19 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 0.00 0.00 29 E 9.14 4.49 0.00 2.16 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 2.31 2.30 0.00 30 E 9.03 4.47 0.00 2.26 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 2.18 1.94 0.00 31 I 8.39 4.60 1.95 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 1.32 1.12 0.92 0.00 0.00 32 Y 7.35 4.53 0.00 3.03 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 33 S 7.57 4.35 0.00 3.81 3.54 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 34 S 8.52 3.25 0.00 3.97 4.07 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 G 7.69 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 36 D 8.48 4.35 0.00 2.37 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.44 4.64 0.00 1.74 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 38 T 8.40 4.26 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 1.20 0.00 0.00 *39 F 8.80 3.55 0.00 2.50 2.29 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 40 S 8.00 4.71 0.00 3.78 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 41 L 8.76 4.12 0.00 1.71 1.78 0.95 0.89 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 42 S 7.47 4.48 0.00 4.07 3.83 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 43 K 8.52 4.47 0.00 1.47 1.77 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 44 E 9.00 5.33 0.00 2.24 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 0.00 2.47 2.33 0.00 45 K 9.34 4.82 0.00 1.74 1.12 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.37 7.81 46 F 8.87 5.83 0.00 3.13 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 47 F 10.22 5.58 0.00 3.04 3.01 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 48 L 9.08 5.22 0.00 1.81 1.67 0.95 1.33 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 49 I 8.90 4.60 1.92 0.00 0.00 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 1.12 1.16 0.55 0.00 0.00 50 A 9.62 3.75 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 51 G 8.24 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 0.00 0.00 0.00 0.00 52 L 7.78 4.14 0.00 2.11 1.73 0.89 0.83 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 53 W 8.84 5.17 0.00 3.37 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 54 I 9.14 4.91 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 1.02 0.00 0.00 55 C 9.12 5.54 0.00 2.58 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 56 I 9.42 5.14 2.29 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.31 1.10 0.00 0.00 57 M 8.88 5.26 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 58 E 9.41 4.65 0.00 2.00 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 2.36 2.53 0.00 59 G 9.52 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 0.00 0.00 0.00 0.00 60 D 8.70 4.71 0.00 2.63 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 61 S 8.31 4.09 0.00 4.03 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 62 L 8.07 4.82 0.00 1.63 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.86 4.04 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 64 E 8.38 4.23 0.00 1.97 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 2.31 2.39 0.00 65 R 8.25 4.32 0.00 1.82 2.00 0.00 2.92 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 66 T 8.09 4.74 4.29 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 1.29 0.00 0.00 67 Y 8.50 4.60 0.00 2.80 3.01 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 68 N 7.80 4.39 0.00 2.70 2.65 0.00 0.00 6.67 9.09 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 69 H 7.96 4.83 0.00 3.03 2.98 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.79 4.35 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.49 0.48 0.00 0.00 71 A 8.27 5.17 1.17 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 0.00 0.00 0.00 72 F 9.52 4.73 0.00 3.08 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 73 Q 8.71 4.95 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 74 I 8.61 4.74 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.56 0.00 0.00 75 Q 8.63 4.85 0.00 1.98 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.85 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 76 S 8.65 4.26 0.00 4.05 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 77 E 8.18 4.14 0.00 1.96 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 2.32 2.46 0.00 78 E 7.85 4.54 0.00 2.30 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 0.00 2.30 2.35 0.00 79 V 7.54 3.68 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 1.06 0.00 0.00 1.00 0.00 0.00 80 D 8.03 4.33 0.00 2.72 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 81 E 8.14 3.88 0.00 1.83 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 2.33 2.36 0.00 82 Y 8.04 3.78 0.00 3.16 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 83 T 8.05 3.86 4.41 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 1.22 0.00 0.00 84 E 8.15 3.87 0.00 2.15 2.05 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 2.24 2.33 0.00 85 R 7.75 3.91 0.00 1.72 1.76 0.00 2.75 0.00 0.00 2.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 86 I 7.73 3.66 1.75 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.66 0.73 0.00 0.00 87 K 8.10 3.86 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 8.21 4.00 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 89 L 7.76 4.44 0.00 1.85 1.78 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.05 4.37 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 91 V 7.18 4.06 2.33 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 0.93 0.00 0.00 0.98 0.00 0.00 92 E 8.94 4.28 0.00 2.18 2.04 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 2.58 2.46 0.00 93 M 8.64 5.31 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 94 K 9.15 4.44 0.00 1.76 1.81 0.00 1.99 0.00 0.00 2.20 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.76 1.61 7.81 95 P 0.00 4.61 0.00 2.07 2.03 0.00 3.72 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 2.05 2.11 0.00 96 E 8.50 4.18 0.00 2.14 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 2.31 2.37 0.00 97 R 8.37 4.35 0.00 1.91 1.90 0.00 2.72 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 98 P 0.00 4.51 0.00 2.02 1.97 0.00 3.57 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 1.99 2.09 0.00 99 R 8.06 4.80 0.00 1.76 1.80 0.00 3.35 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 100 V 8.27 4.11 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 0.81 0.00 0.00 1.04 0.00 0.00 101 Q 8.33 4.08 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.20 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 102 G 9.09 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 0.00 103 E 7.88 4.07 0.00 2.26 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 2.38 2.33 0.00 104 G 8.07 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 0.00 0.00 0.00 0.00 105 R 8.17 4.28 0.00 1.76 1.88 0.00 3.26 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 106 S 8.55 5.16 0.00 3.78 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 0.00 107 I 8.42 4.69 1.94 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 1.27 0.99 1.01 0.00 0.00 108 Y 8.73 5.38 0.00 3.01 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 0.00 109 F 8.69 5.43 0.00 3.46 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 0.00 110 Y 8.95 5.29 0.00 2.87 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 0.00 111 D 8.61 3.99 0.00 1.74 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 0.00 0.00 0.00 0.00 112 F 7.90 4.91 0.00 3.03 3.01 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 0.00 113 D 7.60 4.89 0.00 2.63 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 0.00 114 N 8.31 4.22 0.00 2.91 2.91 0.00 0.00 7.10 8.16 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 0.00 115 H 8.73 4.76 0.00 3.53 2.89 0.00 5.63 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.25 3.75 0.00 1.43 1.50 0.34 0.85 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 0.00 117 F 9.00 5.04 0.00 2.06 2.61 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 0.00 118 E 8.99 4.91 0.00 1.47 1.57 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 1.98 1.68 0.00 119 L 8.64 5.18 0.00 1.55 1.33 0.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.49 5.28 0.00 3.10 3.13 0.00 5.76 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 0.00 121 A 8.49 5.38 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 0.00 122 G 6.92 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 0.00 0.00 0.00 0.00 123 T 7.90 4.75 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 1.21 0.00 0.00 124 L 8.51 4.08 0.00 1.78 1.71 0.92 0.78 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 0.00 125 E 8.18 3.94 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 2.38 2.38 0.00 126 E 7.81 4.03 0.00 1.98 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 0.00 2.33 2.37 0.00 127 R 7.72 4.25 0.00 1.88 2.10 0.00 3.34 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 128 L 7.47 4.62 0.00 1.72 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.69 3.74 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.47 7.81 130 R 7.21 4.39 0.00 1.68 1.85 0.00 3.41 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *131 Y 8.41 4.21 0.00 2.33 2.09 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 * Residues marked with a * may have inaccurate shift predictions.