NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.7046 8.3393 109.7324 45.4688 0.0000 172.8223 -1 S 4.2981 8.2979 115.1535 57.1484 63.8617 173.5569 0 H 4.5029 8.6799 118.3013 56.2801 29.7424 177.1547 0 F 4.3929 8.5599 120.4013 58.9801 40.3424 178.8547 3 N 4.1292 8.1422 114.8846 54.0606 38.3996 176.4506 *5 L 4.1329 8.0412 122.1867 55.1533 43.9436 178.6181 6 E 3.7576 7.5920 117.4523 59.5050 29.2168 179.2928 7 Q 3.9310 7.9472 118.0772 58.7471 28.6653 178.3678 8 Q 3.9507 7.9408 120.1802 59.1828 29.1102 178.3319 9 I 3.6512 7.7604 120.6460 64.4817 37.1435 178.4557 10 I 3.6783 7.9650 120.9095 64.6589 36.7129 177.9811 11 H 4.1254 8.3909 118.4873 59.3199 29.7728 177.1853 12 S 4.2164 8.1384 115.1743 61.4075 63.1186 176.1748 13 Q 4.1269 8.2359 121.7436 58.6868 28.3711 179.0614 14 D 4.3322 8.1054 116.8849 54.8919 40.6298 178.1513 *16 A 4.1944 7.9688 124.6889 52.6395 20.5553 179.6861 17 H 4.2198 8.1929 111.9503 58.8656 29.0562 177.3736 18 F 4.3623 8.4108 122.4489 61.6762 39.2572 177.4614 19 R 2.0000 7.8943 117.0456 58.4717 29.5384 178.9466 20 S 4.2528 7.5010 112.8202 60.7436 62.9829 175.3783 21 E 4.4431 7.5793 119.8545 55.5307 29.7857 176.3423 22 F 4.6130 7.2837 118.3951 56.7794 39.6243 174.8554 23 F 4.2898 8.7137 125.3571 58.5112 39.6917 174.3667 24 Y 4.6744 7.1085 123.5972 55.9906 41.6789 176.0516 25 V 3.6026 8.6232 116.1588 64.2601 32.0277 175.4487 26 N 4.5442 7.4326 115.2236 51.0747 39.5289 174.6152 27 H 4.1290 8.3255 113.5139 58.6698 28.3128 177.3075 28 E 4.0367 7.7873 122.2714 58.9352 29.3545 178.2499 29 H 4.2864 8.5676 119.8511 58.6508 29.8604 177.0957 30 R 3.1307 7.3847 119.9716 59.1623 29.6698 178.2797 31 E 3.8401 8.0624 118.3342 59.4786 29.3967 178.9657 32 N 3.9431 8.2176 116.8385 56.3312 38.4060 176.7673 33 Y 4.4018 7.9607 120.6814 61.0051 39.0053 178.0245 34 E 3.7395 8.1765 119.1869 59.1995 29.4913 179.2098 35 A 4.1169 8.1455 120.8575 55.3072 18.5187 179.7590 36 L 4.3575 8.6321 117.9484 57.9304 41.5011 179.6368 37 L 4.2145 8.0948 118.4832 57.8025 41.5703 179.3879 38 I 3.8982 7.5170 118.4457 64.4559 37.1663 177.5302 39 Y 4.3636 7.9786 118.9584 60.0718 40.0604 177.2020 40 Y 4.3840 8.3788 121.3066 56.0857 35.8345 175.9575 41 K 3.9412 8.1910 123.9411 59.3168 32.5694 177.3744 42 N 4.6283 8.1855 114.9248 54.6636 38.1104 176.8636 43 S 4.2951 8.4587 117.7521 61.2097 63.0830 176.2948 44 I 3.9206 7.4944 115.7745 63.0143 37.1560 176.2992 45 D 4.7249 7.6506 117.5890 52.3547 41.3567 175.6318 46 N 4.7525 8.1114 118.6886 51.3626 39.8641 172.9300 47 P 4.3374 0.0000 0.0000 65.8383 31.4227 178.6595 48 I 3.8263 8.2107 118.7560 64.1866 36.8770 178.6359 49 V 3.5791 7.8779 119.2490 65.7839 31.3927 177.3688 50 D 4.6398 8.3319 117.5540 57.6239 41.1995 178.3524 51 G 3.8265 8.6363 106.1784 47.8881 0.0000 175.2939 52 A 4.2628 8.3895 123.1924 55.2995 18.4200 179.3082 53 C 4.1768 8.5042 115.4584 63.4418 28.0324 175.8490 54 Y 3.8580 8.0989 119.9637 60.5878 38.6215 178.0801 55 I 3.8798 8.0236 120.2840 64.5007 37.1838 178.3829 56 L 4.2092 8.2914 118.4708 57.7768 41.7632 179.1943 57 A 4.2317 8.3403 120.2399 53.0428 18.3843 177.3802 58 L 3.5888 7.4568 118.7404 54.5547 42.3078 176.3771 59 P 4.3259 0.0000 0.0000 66.0291 30.9972 178.5294 60 E 3.9679 8.1137 115.8637 59.0311 29.6267 179.0132 61 I 3.9280 7.5065 119.3575 64.0879 37.4639 177.5689 62 F 3.9165 8.5648 120.3243 61.3530 39.2445 176.2127 63 N 4.6667 8.3266 113.0831 53.7997 38.8901 175.6945 64 S 4.6057 7.6604 114.7471 57.8999 64.4906 174.1586 65 V 4.0315 7.0106 119.3811 60.7154 33.8383 175.2924 66 D 4.3779 8.0504 126.4625 53.6990 39.2541 176.6160 67 V 3.5620 7.2816 116.6086 62.5583 32.0408 177.0593 68 F 3.8902 7.3693 117.0964 56.8748 38.8137 176.0476 69 E 4.4737 7.7196 119.4973 56.5973 30.6506 176.3801 70 S 4.7619 7.9348 114.0731 56.7485 64.5985 173.8145 71 E 4.1905 9.0866 124.8804 58.3816 30.0148 176.7098 72 L 4.8861 7.7359 117.7113 51.9955 44.2335 175.0832 73 P 3.7572 0.0000 0.0000 65.3939 31.3548 177.7506 74 F 4.6569 7.7148 114.8274 56.9431 39.4088 177.6966 75 S 4.0111 7.9319 118.6170 60.6591 62.6910 175.1250 76 W 4.4933 7.6447 115.9132 57.1933 28.8880 177.3628 77 V 3.4295 7.2515 120.7332 65.3968 31.1117 175.0992 78 Y 5.3291 6.9001 114.5238 55.6315 41.2002 173.5812 79 D 4.6353 8.8146 118.8495 52.2848 41.9504 175.4165 80 E 4.0646 8.9897 115.6434 59.4352 29.4450 177.1181 81 N 4.7325 8.3768 115.4334 52.7983 39.5566 174.6797 82 G 3.9594 8.0383 105.0676 43.8301 0.0000 173.4945 83 I 4.3123 8.1660 113.9375 61.0765 38.2663 175.9100 84 T 4.4549 8.1970 113.1249 60.5603 70.3748 174.7900 85 E 4.1376 8.7638 121.0012 60.0530 28.3008 180.1443 86 T 4.0134 7.5672 112.2775 64.4976 67.7708 176.0469 *88 K 4.5254 8.0097 123.2390 56.4603 33.8778 177.3614 89 S 4.3200 7.9393 111.6001 59.9596 63.3693 174.6943 90 L 4.3225 7.1163 119.4843 53.7489 42.2947 177.4059 91 S 4.1898 8.5075 116.2106 58.7952 64.5839 175.3528 92 I 3.3566 8.2647 125.2180 64.4084 37.0016 176.9829 93 P 4.2388 0.0000 0.0000 65.4153 31.1088 178.7183 94 L 4.1312 7.7417 118.0812 57.6730 41.4308 179.2571 95 Q 4.1460 8.3141 118.3294 59.3876 28.5830 178.6731 96 Y 4.5775 7.9410 117.6034 61.1518 37.8860 178.5966 97 L 4.2706 8.4261 119.8307 57.9448 41.7848 179.7375 98 V 3.2584 8.1107 117.9823 65.9042 31.4234 177.9566 99 A 3.7819 8.4234 120.5491 54.9797 18.1993 179.4960 100 A 4.2969 8.6593 119.5812 55.1971 18.2613 179.6994 101 A 4.3490 7.7457 119.9231 54.9301 18.7465 179.5931 102 L 4.0556 7.7324 117.4172 57.9172 41.5755 179.6149 103 E 4.0136 8.3348 118.6456 59.1962 29.0876 179.3518 104 V 3.6834 7.6220 117.6790 65.6894 31.5687 176.5785 105 T 4.3085 7.6315 106.2107 60.9239 68.9113 173.7562 106 D 4.2575 8.0436 119.9342 55.9518 39.7971 173.9514 107 V 4.0364 7.8675 117.4205 60.8990 32.5567 174.3616 108 N 4.6969 8.4728 126.2392 51.6724 38.7820 174.7817 109 I 3.8218 7.8475 117.1393 61.0333 38.5514 175.8969 110 F 5.2519 7.6171 118.8512 55.4260 42.2018 173.8381 111 K 4.6221 8.4502 122.9335 53.9595 34.4139 174.5220 112 P 4.4109 0.0000 0.0000 62.1274 31.9026 176.1985 113 S 4.6842 7.7256 114.1689 57.4045 63.7078 174.6878 114 G 3.8225 9.5815 111.0593 48.7649 0.0000 175.1774 115 F 4.2157 8.7458 121.6375 61.5672 39.3773 176.8933 116 T 3.3517 7.6818 112.0785 64.9752 67.9807 174.6989 *118 G 2.0000 7.9266 109.4901 44.4801 0.0000 174.4616 *120 N 4.5585 8.1842 115.1006 52.3709 40.2908 174.7598 121 N 4.8741 7.3334 111.9281 53.4872 43.0743 175.2931 122 W 4.6875 7.9795 118.6643 56.7642 29.5139 176.1801 123 N 4.7691 9.0177 120.9362 52.0507 38.6117 174.9228 124 I 3.6543 8.3540 117.8041 64.7235 37.6041 177.4738 125 A 4.0756 8.1965 122.7626 55.5183 18.3292 180.6631 126 Q 4.0463 8.3871 114.6373 56.0775 28.2223 178.9010 *128 R 3.8903 8.1660 118.6247 56.2444 32.1561 178.2278 129 I 3.9514 7.4979 118.4122 64.3756 36.9816 178.0782 130 F 4.1232 7.8764 121.4760 61.1598 39.1276 177.1543 131 W 4.2059 7.7670 117.8242 59.8346 28.9762 178.0293 132 Q 3.6055 8.1305 119.4130 59.1245 28.3851 177.5574 133 Y 3.8819 8.2106 121.0483 61.0837 38.8749 178.4548 134 T 3.4429 7.9478 110.5124 64.5585 68.4414 176.1997 135 A 3.8714 7.5004 122.8640 54.6278 18.6382 179.5076 136 I 3.6952 7.2171 118.3961 64.6074 36.9903 178.4728 137 I 3.5892 6.9983 119.0903 63.8743 37.0563 177.9046 138 R 4.5547 7.6304 117.7476 55.6531 30.8941 178.6353 139 K 3.8739 7.7205 121.2747 59.9930 32.4599 177.5829 140 E 4.1140 8.0503 116.2215 56.8459 29.8728 176.7152 141 A 4.0349 7.8193 122.9559 52.5354 18.9784 177.6024 142 L 4.2952 8.3483 120.1295 54.8658 42.0075 176.6124 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 -2 G 8.34 3.70 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 0.00 0.00 0.00 -1 S 8.30 4.30 0.00 4.15 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 H 8.68 4.50 0.00 3.12 3.39 0.00 5.95 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 8.56 4.39 0.00 2.97 3.27 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 3 N 8.14 4.13 0.00 2.73 2.79 0.00 0.00 6.67 6.11 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 *5 L 8.04 4.13 0.00 1.67 1.67 0.88 0.96 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 6 E 7.59 3.76 0.00 1.85 1.75 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 2.00 1.47 0.00 7 Q 7.95 3.93 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 8 Q 7.94 3.95 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 9 I 7.76 3.65 1.96 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 1.48 0.56 0.88 0.00 0.00 10 I 7.96 3.68 1.85 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 1.39 0.65 0.91 0.00 0.00 11 H 8.39 4.13 0.00 3.12 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.14 4.22 0.00 4.03 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 13 Q 8.24 4.13 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 14 D 8.11 4.33 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 A 7.97 4.19 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 17 H 8.19 4.22 0.00 3.39 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.41 4.36 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.89 2.00 0.00 1.83 1.74 0.00 3.14 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 20 S 7.50 4.25 0.00 4.01 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 21 E 7.58 4.44 0.00 1.92 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 2.31 2.47 0.00 22 F 7.28 4.61 0.00 2.45 2.39 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 23 F 8.71 4.29 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.11 4.67 0.00 2.78 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 25 V 8.62 3.60 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 0.85 0.00 0.00 0.87 0.00 0.00 26 N 7.43 4.54 0.00 2.70 2.83 0.00 0.00 6.04 7.90 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 27 H 8.33 4.13 0.00 3.31 3.53 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.79 4.04 0.00 2.17 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 2.34 2.22 0.00 29 H 8.57 4.29 0.00 3.09 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.38 3.13 0.00 0.77 1.61 0.00 2.79 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 31 E 8.06 3.84 0.00 2.07 1.89 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 2.26 2.43 0.00 32 N 8.22 3.94 0.00 2.58 1.96 0.00 0.00 6.70 7.16 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 33 Y 7.96 4.40 0.00 3.19 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.18 3.74 0.00 2.11 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 2.39 2.37 0.00 35 A 8.15 4.12 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 0.00 0.00 0.00 0.00 0.00 36 L 8.63 4.36 0.00 2.15 2.08 1.25 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.09 4.21 0.00 1.69 1.71 0.35 1.03 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 38 I 7.52 3.90 2.12 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 1.42 0.59 0.95 0.00 0.00 39 Y 7.98 4.36 0.00 3.17 3.24 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 0.00 40 Y 8.38 4.38 0.00 3.19 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 41 K 8.19 3.94 0.00 1.75 1.88 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.46 7.81 42 N 8.19 4.63 0.00 2.83 2.90 0.00 0.00 6.93 7.57 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 43 S 8.46 4.30 0.00 4.17 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.49 3.92 1.90 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 1.70 0.62 0.99 0.00 0.00 45 D 7.65 4.72 0.00 2.83 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 46 N 8.11 4.75 0.00 2.80 2.92 0.00 0.00 7.01 6.98 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 47 P 0.00 4.34 0.00 2.24 2.25 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 48 I 8.21 3.83 2.06 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 1.46 0.95 1.02 0.00 0.00 49 V 7.88 3.58 2.24 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 1.07 0.00 0.00 0.94 0.00 0.00 50 D 8.33 4.64 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.64 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 0.00 0.00 0.00 52 A 8.39 4.26 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 53 C 8.50 4.18 0.00 3.57 3.42 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 0.00 0.00 0.00 0.00 54 Y 8.10 3.86 0.00 2.65 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.02 3.88 2.32 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 1.89 0.74 1.11 0.00 0.00 56 L 8.29 4.21 0.00 1.71 1.86 0.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.34 4.23 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.46 3.59 0.00 1.78 1.54 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.33 0.00 2.13 2.11 0.00 3.49 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 2.17 2.12 0.00 60 E 8.11 3.97 0.00 1.93 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 2.40 0.00 61 I 7.51 3.93 2.06 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 1.65 0.65 1.00 0.00 0.00 62 F 8.56 3.92 0.00 3.12 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 63 N 8.33 4.67 0.00 2.88 2.86 0.00 0.00 6.89 7.32 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 64 S 7.66 4.61 0.00 3.82 3.78 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 65 V 7.01 4.03 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 66 D 8.05 4.38 0.00 2.59 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 67 V 7.28 3.56 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 0.47 0.00 0.00 -0.14 0.00 0.00 68 F 7.37 3.89 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.72 4.47 0.00 2.09 2.39 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 2.46 2.28 0.00 70 S 7.93 4.76 0.00 4.27 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 71 E 9.09 4.19 0.00 2.01 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 2.34 2.46 0.00 72 L 7.74 4.89 0.00 1.75 1.54 0.94 1.13 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 73 P 0.00 3.76 0.00 1.52 1.40 0.00 3.47 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 0.00 74 F 7.71 4.66 0.00 2.95 2.58 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 75 S 7.93 4.01 0.00 3.98 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 76 W 7.64 4.49 0.00 3.61 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 77 V 7.25 3.43 1.88 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 0.74 0.00 0.00 -0.50 0.00 0.00 78 Y 6.90 5.33 0.00 3.10 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 79 D 8.81 4.64 0.00 2.87 2.77 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 80 E 8.99 4.06 0.00 2.13 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 0.00 2.31 2.31 0.00 81 N 8.38 4.73 0.00 2.89 2.91 0.00 0.00 7.23 7.26 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 82 G 8.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.17 4.31 1.96 0.00 0.00 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 1.62 0.75 0.83 0.00 0.00 84 T 8.20 4.45 4.35 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 1.34 0.00 0.00 85 E 8.76 4.14 0.00 2.06 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 2.44 2.32 0.00 86 T 7.57 4.01 4.47 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 1.04 0.00 0.00 *88 K 8.01 4.53 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.68 7.81 89 S 7.94 4.32 0.00 4.02 4.14 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 90 L 7.12 4.32 0.00 1.73 1.71 1.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.51 4.19 0.00 4.01 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 92 I 8.26 3.36 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.25 0.00 0.00 93 P 0.00 4.24 0.00 2.28 2.45 0.00 3.43 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 2.13 2.20 0.00 94 L 7.74 4.13 0.00 1.90 1.78 1.00 0.96 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 95 Q 8.31 4.15 0.00 2.19 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 96 Y 7.94 4.58 0.00 3.48 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 97 L 8.43 4.27 0.00 1.96 1.68 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.11 3.26 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 0.37 0.00 0.00 1.12 0.00 0.00 99 A 8.42 3.78 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 0.00 100 A 8.66 4.30 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 0.00 0.00 0.00 0.00 0.00 101 A 7.75 4.35 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 0.00 0.00 0.00 0.00 0.00 102 L 7.73 4.06 0.00 1.64 1.70 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.33 4.01 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 2.54 2.47 0.00 104 V 7.62 3.68 2.43 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 0.90 0.00 0.00 1.20 0.00 0.00 105 T 7.63 4.31 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 1.30 0.00 0.00 106 D 8.04 4.26 0.00 2.81 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 0.00 107 V 7.87 4.04 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 0.62 0.00 0.00 0.94 0.00 0.00 108 N 8.47 4.70 0.00 2.66 2.70 0.00 0.00 7.13 7.45 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 0.00 109 I 7.85 3.82 1.33 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.26 0.00 0.00 110 F 7.62 5.25 0.00 3.09 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 0.00 111 K 8.45 4.62 0.00 1.66 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.43 7.81 112 P 0.00 4.41 0.00 1.91 1.87 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 113 S 7.73 4.68 0.00 4.38 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 0.00 114 G 9.58 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 0.00 115 F 8.75 4.22 0.00 3.02 3.13 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 0.00 0.00 0.00 116 T 7.68 3.35 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 1.00 0.00 0.00 *118 G 7.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 N 8.18 4.56 0.00 2.43 2.72 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.33 4.87 0.00 2.44 2.79 0.00 0.00 7.02 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 0.00 122 W 7.98 4.69 0.00 3.35 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 0.00 123 N 9.02 4.77 0.00 2.81 2.89 0.00 0.00 7.03 8.29 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 0.00 124 I 8.35 3.65 1.85 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 1.34 0.53 0.88 0.00 0.00 125 A 8.20 4.08 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 0.00 126 Q 8.39 4.05 0.00 2.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.33 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 *128 R 8.17 3.89 0.00 0.76 0.66 0.00 3.39 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.00 129 I 7.50 3.95 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 1.61 1.02 0.95 0.00 0.00 130 F 7.88 4.12 0.00 2.32 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.77 4.21 0.00 3.36 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 0.00 132 Q 8.13 3.61 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 133 Y 8.21 3.88 0.00 3.26 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 0.00 134 T 7.95 3.44 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 0.68 0.00 0.00 135 A 7.50 3.87 1.15 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 0.00 136 I 7.22 3.70 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.41 1.03 0.00 0.00 137 I 7.00 3.59 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.02 0.80 0.00 0.00 138 R 7.63 4.55 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 139 K 7.72 3.87 0.00 1.93 2.10 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.43 7.81 140 E 8.05 4.11 0.00 1.96 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 2.30 2.24 0.00 141 A 7.82 4.03 1.22 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 0.00 0.00 142 L 8.35 4.30 0.00 1.61 1.55 0.91 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 * Residues marked with a * may have inaccurate shift predictions.