NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3247 8.1233 123.5954 52.9588 20.3100 180.5745 15 W 3.6645 6.9473 112.2991 57.9219 30.6781 176.7309 16 L 3.6027 8.6687 118.8833 57.7297 42.3298 179.1485 17 L 3.6135 7.5197 118.6198 57.9363 41.4028 179.3780 18 M 4.0813 7.8538 117.5863 57.7480 31.8450 178.3171 19 A 3.4708 8.1901 120.9809 54.6321 18.5512 179.6427 20 F 4.4940 8.9549 117.7047 60.5756 38.8080 177.5075 21 T 4.1438 7.6962 110.4691 64.0086 67.0573 176.2555 22 A 3.7500 8.6657 124.3570 54.4960 18.2277 179.0742 23 L 4.2370 7.8732 116.4438 57.3095 41.5956 180.0359 24 A 3.7080 7.7389 118.7968 54.1253 18.2144 178.7959 25 L 4.4350 7.2675 116.5958 55.9403 43.1785 178.2944 26 E 4.2548 9.6816 118.5409 59.8461 29.4184 179.5576 27 L 4.0945 8.9670 119.3619 57.8132 41.7579 179.1920 28 T 3.9144 7.4905 113.9871 67.4870 68.6763 175.4731 29 A 4.1964 8.4428 122.8850 54.9212 17.2549 179.2142 30 L 3.9777 8.8875 116.8293 57.1613 41.7905 181.1106 31 W 3.9576 8.0293 118.9731 58.7886 28.7802 177.8766 32 F 5.0139 7.6613 115.5207 57.9304 38.8928 178.0529 33 Q 4.1149 8.2205 119.2918 59.3118 28.2910 179.0507 34 H 4.7252 6.9941 112.0300 57.9137 29.3899 177.6131 35 V 3.9550 7.8225 118.7168 65.4446 31.5890 175.8664 36 M 4.5288 9.3234 118.4380 55.6219 33.5539 179.5758 37 L 3.6753 8.5926 121.9665 55.6053 40.8152 177.9571 38 L 4.6604 8.5991 117.4916 54.6721 44.5561 174.4189 39 K 4.2300 8.0320 120.7865 55.3925 33.1453 175.1224 40 P 4.9693 0.0000 0.0000 62.5574 32.3198 175.6118 41 C 4.4834 7.7172 114.2431 56.3708 31.9267 173.4218 42 V 3.9176 8.1474 122.0224 64.5125 32.8007 177.6682 43 L 3.9737 7.7894 117.3643 57.5157 41.2178 178.3969 44 C 4.0847 8.1498 117.3725 62.5511 27.9504 175.3916 45 I 3.5868 7.5425 113.5903 64.6902 36.9603 177.2975 46 Y 4.1318 7.1872 118.4151 60.9623 37.5963 178.9185 47 E 4.0325 8.7168 119.4853 59.1478 29.6074 179.0789 48 R 4.2586 9.6074 117.1914 57.8831 30.0354 178.1756 49 V 4.0302 8.0816 117.9227 64.0534 31.7501 176.8945 50 A 4.3684 7.7823 118.4661 54.4456 18.6713 178.0163 51 L 4.3200 8.2287 118.6495 56.7330 41.5735 177.6886 52 F 4.4768 9.1333 121.0701 58.7738 39.3915 176.6792 53 G 4.1488 7.8036 104.8695 44.4990 0.0000 174.1020 54 V 4.2670 8.7041 120.7052 64.2207 34.2551 177.7405 55 L 3.7016 7.9180 119.1275 57.6675 41.6702 179.3973 56 G 3.5813 7.8991 104.9035 47.4449 0.0000 173.0964 57 A 4.7609 7.2144 122.9899 52.0078 19.5620 176.7641 58 A 4.7211 8.1491 122.6778 54.9813 21.8533 178.5423 59 L 3.8835 7.9679 115.2123 57.9922 41.5940 179.7213 60 I 4.5526 7.3366 116.5298 61.6128 37.0662 177.3346 61 G 3.9048 7.6161 108.6608 46.4720 0.0000 175.1666 62 A 4.5291 7.5714 120.5917 52.0985 23.2134 177.2564 63 I 3.5695 8.1295 115.5373 62.9492 37.2246 177.0376 64 A 3.9333 7.9785 122.4203 50.8544 18.1568 175.0159 65 P 4.4135 0.0000 0.0000 64.7866 31.4800 177.4045 66 K 4.5838 7.8387 115.9158 54.8092 34.8649 175.6494 67 T 4.5841 8.3527 111.5876 61.1303 68.9636 173.1749 68 P 4.6763 0.0000 0.0000 63.2663 32.3022 175.2327 69 L 4.6430 7.2421 119.0991 53.9944 41.5783 175.5783 70 R 4.3070 7.6095 115.5847 56.5556 30.6926 177.9687 71 Y 4.4783 7.0084 117.3603 57.6020 39.1885 177.0242 72 V 3.6409 6.9444 120.1102 65.6409 31.4262 177.6081 73 A 4.0434 7.6829 120.2913 55.3589 18.1681 178.8887 74 M 3.7744 6.9497 115.6135 58.4688 31.8531 177.7320 75 V 3.9566 7.3718 116.3665 64.2359 31.9707 177.7863 76 I 3.9463 7.7679 119.0261 63.8507 37.1470 176.9324 77 W 4.5013 10.6817 116.9692 57.0941 28.6243 177.2321 78 L 4.2300 7.2559 119.2775 57.1250 42.2003 176.9098 79 Y 5.0769 7.0972 118.5233 57.5055 37.9214 175.1300 80 S 4.7461 7.4607 120.9299 58.1285 63.4667 176.9475 81 A 4.5504 9.0998 122.4719 53.0207 17.7986 178.4727 82 F 4.3504 7.8535 120.5075 61.9529 39.3044 177.5114 83 R 4.3136 7.8860 117.8667 59.0240 29.7981 179.1511 84 G 3.9054 8.0989 105.0245 48.8438 0.0000 174.6609 85 V 3.8350 9.2099 122.2023 65.4632 31.0274 177.8614 86 Q 3.9465 8.1514 116.9335 59.1005 28.7265 178.6980 87 L 3.9369 8.5913 121.9225 58.1789 41.7442 179.6394 88 T 3.9699 7.2319 108.9703 64.4247 68.7815 176.2057 89 Y 4.1067 8.6640 123.4762 61.0428 38.9829 177.2745 90 E 3.5480 9.3555 120.7585 59.5958 29.2735 179.7937 91 H 3.7744 8.1013 118.4280 58.9969 30.9519 176.6373 92 T 4.0017 8.0464 115.0925 65.5216 67.2978 175.8209 93 M 3.8586 7.7523 120.6636 58.8276 31.8067 178.7499 94 L 4.7600 7.5115 117.8042 56.2094 41.8750 178.3084 95 Q 4.0678 7.9282 120.1160 58.5528 29.0549 176.9484 96 L 4.5842 7.8897 114.2655 54.7843 43.8443 176.0782 97 Y 4.2049 7.7944 116.9893 55.2479 37.7213 173.7338 98 P 4.9626 0.0000 0.0000 61.9721 33.0547 175.6789 99 S 4.2756 7.6907 113.0618 56.7841 66.8082 173.1439 100 P 4.1508 0.0000 0.0000 65.5858 31.1842 178.5958 101 F 4.5086 6.1097 109.6117 57.9816 38.5441 175.3278 102 A 4.6909 7.0299 125.1525 51.8662 20.5007 174.4327 103 T 4.4682 7.6877 103.9101 62.9079 71.0784 172.0880 104 C 4.5481 7.4754 110.8742 58.4953 32.6020 172.5359 105 D 5.0141 8.4277 125.7175 53.7212 44.3260 175.0437 106 F 4.6653 8.3776 115.9817 57.6601 39.8837 174.4823 107 M 4.6814 7.4327 119.4762 53.4432 36.3906 175.4650 108 V 3.1188 7.6038 122.2464 62.0777 32.3636 175.3431 109 R 4.2755 6.3948 119.7095 56.0419 30.5823 174.3185 110 F 4.7112 7.6151 119.0415 55.9194 41.4676 173.1231 111 P 4.6553 0.0000 0.0000 62.9273 30.6531 177.3001 112 E 4.6891 8.8870 113.3084 56.9940 30.5932 174.5863 113 W 3.5671 8.8794 121.6961 57.7295 25.9105 173.7582 114 L 4.7670 7.5791 127.7259 53.5077 42.4626 176.0506 115 P 4.1399 0.0000 0.0000 65.8143 32.1356 179.4766 116 L 4.2318 8.0482 117.5173 57.6598 41.6885 179.0344 117 D 4.4788 7.1233 116.9338 56.1859 40.7577 177.0690 118 K 4.4573 8.1669 116.6708 55.6329 33.2565 176.3953 119 W 4.7981 7.8530 116.6288 56.4696 29.2854 175.9322 120 V 4.5675 7.2732 117.6409 63.9175 33.3441 175.5254 121 P 3.9020 0.0000 0.0000 64.7844 31.7427 176.9845 122 Q 4.1092 7.8318 118.9858 57.7769 29.6926 176.9391 123 V 3.6027 7.6752 116.7710 65.9728 32.1913 176.8295 124 F 4.5175 8.8454 120.0895 56.4074 37.0791 175.6879 125 V 4.4038 7.5448 118.1545 62.3973 33.3509 175.2491 126 A 4.5408 7.6569 121.2980 50.7597 19.4533 174.7648 *142 M 4.8039 8.3435 120.5873 55.3742 34.3194 176.0898 143 P 4.3063 0.0000 0.0000 66.6293 29.7120 179.6400 144 Q 3.3328 6.9936 117.1058 57.6534 28.8755 179.6419 145 W 4.4750 7.4270 119.6106 59.7743 29.1691 178.3759 146 L 4.2968 8.2202 118.4426 58.2873 40.5630 179.1820 147 L 4.1058 8.3619 118.9256 58.1179 41.6501 180.0320 148 G 3.7407 7.7157 104.6673 47.4391 0.0000 176.0652 149 I 3.7287 8.3610 116.1416 63.6334 37.3197 178.3834 150 F 4.0000 8.5455 119.3491 59.9723 38.9047 176.9898 151 I 4.0951 7.5127 109.0437 63.0342 37.6834 178.0929 152 A 4.0028 8.3303 123.2783 55.0028 17.9534 178.3707 153 Y 4.6105 8.0649 112.6196 58.5894 38.0409 176.0509 154 L 4.5848 7.5191 120.9530 56.8512 43.7371 178.3035 155 I 3.7953 7.6982 112.4989 64.1371 37.2375 178.3211 156 V 3.6429 7.8380 119.2783 65.7338 31.2630 177.7219 157 A 4.4440 7.9993 118.6835 54.6447 18.5864 179.2787 158 V 3.9113 8.3361 117.7583 65.8066 30.3311 177.7701 159 L 3.9603 8.4528 118.9119 58.2824 41.4585 180.0794 160 V 3.7667 7.3204 115.9988 65.0362 31.5034 177.1828 161 V 4.0542 7.1362 116.3903 63.5224 32.3443 175.3112 162 I 3.9927 8.1879 116.4517 60.8798 37.7364 175.3263 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 14 A 8.12 4.32 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 15 W 6.95 3.66 0.00 3.43 3.20 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 16 L 8.67 3.60 0.00 1.22 0.22 0.87 0.65 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 17 L 7.52 3.61 0.00 1.78 1.73 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.85 4.08 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 19 A 8.19 3.47 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 20 F 8.95 4.49 0.00 3.03 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 21 T 7.70 4.14 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 1.02 0.00 0.00 22 A 8.67 3.75 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 23 L 7.87 4.24 0.00 1.86 1.76 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.74 3.71 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 25 L 7.27 4.43 0.00 1.83 1.69 0.89 0.89 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 26 E 9.68 4.25 0.00 2.08 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 1.47 2.12 0.00 27 L 8.97 4.09 0.00 1.78 1.76 0.90 0.46 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 28 T 7.49 3.91 4.40 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 1.43 0.00 0.00 29 A 8.44 4.20 1.50 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 30 L 8.89 3.98 0.00 1.76 1.64 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.03 3.96 0.00 2.46 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 0.00 0.00 0.00 32 F 7.66 5.01 0.00 3.23 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 33 Q 8.22 4.11 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 34 H 6.99 4.73 0.00 3.20 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.82 3.95 2.40 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 1.01 0.00 0.00 1.26 0.00 0.00 36 M 9.32 4.53 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 37 L 8.59 3.68 0.00 1.82 1.29 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.60 4.66 0.00 1.63 1.61 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.03 4.23 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 40 P 0.00 4.97 0.00 2.51 2.32 0.00 3.87 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 2.07 2.03 0.00 41 C 7.72 4.48 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.15 3.92 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 1.14 0.00 0.00 0.72 0.00 0.00 43 L 7.79 3.97 0.00 1.88 1.86 0.86 0.89 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 44 C 8.15 4.08 0.00 2.89 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 45 I 7.54 3.59 1.62 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.45 0.73 0.00 0.00 46 Y 7.19 4.13 0.00 3.12 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 47 E 8.72 4.03 0.00 2.14 1.83 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 1.99 2.34 0.00 48 R 9.61 4.26 0.00 1.87 1.69 0.00 2.91 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 49 V 8.08 4.03 2.35 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 1.14 0.00 0.00 1.00 0.00 0.00 50 A 7.78 4.37 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 0.00 0.00 51 L 8.23 4.32 0.00 2.22 1.88 1.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.13 4.48 0.00 3.01 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 53 G 7.80 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 54 V 8.70 4.27 2.34 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 0.82 0.00 0.00 1.05 0.00 0.00 55 L 7.92 3.70 0.00 1.46 1.41 0.61 0.60 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 56 G 7.90 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 57 A 7.21 4.76 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 58 A 8.15 4.72 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 59 L 7.97 3.88 0.00 1.20 0.71 0.57 0.71 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 60 I 7.34 4.55 1.80 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 1.16 0.20 0.93 0.00 0.00 61 G 7.62 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 0.00 0.00 0.00 62 A 7.57 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.13 3.57 2.06 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 1.38 0.39 1.16 0.00 0.00 64 A 7.98 3.93 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 65 P 0.00 4.41 0.00 2.09 2.21 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 2.12 2.32 0.00 66 K 7.84 4.58 0.00 1.66 1.62 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.34 7.81 67 T 8.35 4.58 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 1.05 0.00 0.00 68 P 0.00 4.68 0.00 2.18 2.15 0.00 3.73 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 69 L 7.24 4.64 0.00 1.47 1.38 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.61 4.31 0.00 1.80 1.72 0.00 3.09 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 71 Y 7.01 4.48 0.00 3.14 3.15 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 72 V 6.94 3.64 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 1.02 0.00 0.00 0.58 0.00 0.00 73 A 7.68 4.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 6.95 3.77 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 75 V 7.37 3.96 2.20 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 0.87 0.00 0.00 1.07 0.00 0.00 76 I 7.77 3.95 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.13 0.00 0.00 77 W 10.68 4.50 0.00 3.25 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 78 L 7.26 4.23 0.00 1.58 1.05 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.10 5.08 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.46 4.75 0.00 3.94 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 9.10 4.55 1.54 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 0.00 0.00 82 F 7.85 4.35 0.00 3.59 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 83 R 7.89 4.31 0.00 2.14 2.03 0.00 3.57 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 84 G 8.10 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 85 V 9.21 3.83 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 0.90 0.00 0.00 1.03 0.00 0.00 86 Q 8.15 3.95 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 87 L 8.59 3.94 0.00 1.50 1.65 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.23 3.97 4.13 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 0.75 0.00 0.00 89 Y 8.66 4.11 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.36 3.55 0.00 1.97 1.82 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 2.18 2.28 0.00 91 H 8.10 3.77 0.00 3.23 3.31 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.05 4.00 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 1.27 0.00 0.00 93 M 7.75 3.86 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.45 0.00 94 L 7.51 4.76 0.00 1.58 1.66 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.93 4.07 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 96 L 7.89 4.58 0.00 1.75 1.88 0.95 0.77 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 97 Y 7.79 4.20 0.00 3.06 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 98 P 0.00 4.96 0.00 1.90 1.92 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 99 S 7.69 4.28 0.00 3.58 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 0.00 100 P 0.00 4.15 0.00 1.95 1.94 0.00 2.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 101 F 6.11 4.51 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 0.00 102 A 7.03 4.69 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 0.00 103 T 7.69 4.47 4.23 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 1.21 0.00 0.00 104 C 7.48 4.55 0.00 3.15 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 0.00 105 D 8.43 5.01 0.00 2.62 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 0.00 106 F 8.38 4.67 0.00 2.92 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 0.00 107 M 7.43 4.68 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 108 V 7.60 3.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.14 0.00 0.00 109 R 6.39 4.28 0.00 1.86 1.77 0.00 3.12 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 110 F 7.62 4.71 0.00 3.23 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 0.00 111 P 0.00 4.66 0.00 2.26 2.21 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 112 E 8.89 4.69 0.00 2.13 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 2.30 2.46 0.00 113 W 8.88 3.57 0.00 3.42 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.77 0.00 1.76 1.10 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.14 0.00 2.25 2.09 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 116 L 8.05 4.23 0.00 1.76 1.83 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.12 4.48 0.00 2.15 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.17 4.46 0.00 1.56 1.19 0.00 0.93 0.00 0.00 1.13 0.00 0.00 2.36 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.06 1.31 7.81 119 W 7.85 4.80 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 120 V 7.27 4.57 2.22 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 1.23 0.00 0.00 1.16 0.00 0.00 121 P 0.00 3.90 0.00 2.07 2.06 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 122 Q 7.83 4.11 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 123 V 7.68 3.60 2.20 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 0.46 0.00 0.00 1.07 0.00 0.00 124 F 8.85 4.52 0.00 3.08 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 0.00 125 V 7.54 4.40 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 0.84 0.00 0.00 1.01 0.00 0.00 126 A 7.66 4.54 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 *142 M 8.34 4.80 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.81 0.00 143 P 0.00 4.31 0.00 2.31 2.34 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 144 Q 6.99 3.33 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 145 W 7.43 4.47 0.00 3.49 3.18 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 0.00 0.00 0.00 0.00 146 L 8.22 4.30 0.00 1.92 1.98 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.36 4.11 0.00 1.71 1.80 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.72 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 0.00 149 I 8.36 3.73 1.84 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.84 1.03 0.00 0.00 150 F 8.55 4.00 0.00 3.23 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 0.00 151 I 7.51 4.10 1.86 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 1.59 0.82 1.01 0.00 0.00 152 A 8.33 4.00 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 0.00 153 Y 8.06 4.61 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.52 4.58 0.00 1.91 1.83 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.70 3.80 1.90 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 1.59 0.74 0.93 0.00 0.00 156 V 7.84 3.64 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 1.13 0.00 0.00 0.99 0.00 0.00 157 A 8.00 4.44 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 0.00 158 V 8.34 3.91 2.35 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 0.95 0.00 0.00 1.10 0.00 0.00 159 L 8.45 3.96 0.00 1.75 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.32 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 161 V 7.14 4.05 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 0.66 0.00 0.00 0.79 0.00 0.00 162 I 8.19 3.99 1.89 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 1.34 0.76 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.