NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 L 4.3970 8.1849 120.7665 53.8526 43.0149 176.7427 8 R 4.6211 7.8981 118.1674 53.5499 34.0490 173.4260 9 R 4.1872 9.1867 120.9305 56.5031 32.3903 175.2783 10 R 5.1618 8.4892 120.4406 54.6008 32.9063 174.9244 11 A 4.7691 8.9527 123.7317 50.6352 23.6874 174.4094 12 R 4.9993 8.4813 117.1075 54.4205 32.6910 175.7160 13 L 4.7657 9.1229 126.0759 53.3832 44.5006 175.2204 14 S 5.9665 8.7567 121.2940 55.9771 66.5182 173.4344 15 R 4.6654 8.3835 121.5850 54.6245 33.4063 173.2973 16 L 5.4060 8.6619 127.8949 53.7578 44.0381 175.6110 17 V 4.8341 8.8186 123.9471 60.2918 35.1687 173.8344 18 S 5.3981 8.7308 115.9947 56.8091 66.1675 172.9042 19 F 5.2035 8.6258 115.1552 55.6832 41.8638 173.0818 20 S 5.2858 9.0156 116.2965 57.1733 65.0279 173.1819 21 A 5.1912 8.9637 124.6169 51.0223 23.0519 175.0588 22 S 5.2803 8.4275 114.1470 57.2413 66.9543 172.5344 23 H 4.9664 8.7162 115.2525 55.6562 32.2011 172.3513 24 R 4.6220 9.0033 118.5159 54.8589 32.8634 174.4165 25 L 4.0064 8.7594 127.1330 54.2220 42.6967 175.8141 26 H 4.8161 7.9704 121.9463 55.2570 32.8937 172.4289 27 S 4.6763 9.4785 122.6973 56.1019 63.4184 172.8257 28 P 4.2342 0.0000 0.0000 65.9314 31.1720 177.9067 29 S 4.2803 8.1154 111.0036 59.8990 62.8207 173.8315 30 L 4.8766 7.4083 120.1698 52.2643 44.7058 176.9411 31 S 4.4396 8.7309 115.9347 57.7211 65.4153 175.1440 32 A 4.0334 8.6747 125.8471 55.8345 18.0717 180.0637 33 E 4.0386 8.1550 115.2384 59.2988 29.9072 178.9986 34 E 3.9098 7.9927 119.6899 59.2643 29.5154 178.7365 35 N 4.3779 8.4121 116.7994 56.4685 38.6534 177.1469 36 L 4.0175 7.7710 120.9556 58.0322 41.9802 178.9412 37 K 3.9025 7.7964 118.4466 59.3737 32.2090 178.7959 38 V 3.4524 7.5763 117.3776 65.8788 31.8366 177.5480 39 F 4.7740 8.4807 116.5797 56.7282 39.5795 177.3209 40 G 3.8061 8.8566 108.2855 46.3898 0.0000 177.6722 41 K 4.1209 8.6035 123.3137 59.1946 32.7665 178.3444 42 C 4.1908 8.1624 117.2245 61.4621 28.0670 174.0721 43 N 4.7251 7.8283 116.7980 52.1553 39.0403 173.6106 44 N 4.0930 8.1384 116.9895 53.9997 39.0072 172.9520 45 P 4.1422 0.0000 0.0000 66.1566 31.0817 176.6664 46 N 4.5607 8.1655 112.9707 52.4101 38.6344 176.0308 47 G 3.7573 9.6761 108.7182 45.9177 0.0000 171.4136 48 H 4.5584 7.9439 112.4897 55.6687 32.3339 172.2582 49 G 4.3860 8.3005 104.5294 46.2365 0.0000 171.2724 50 H 4.7377 9.0109 114.9273 54.8372 33.7849 173.4395 51 N 5.1160 8.3481 118.5106 51.9776 38.4429 174.1383 52 Y 4.2265 8.5156 122.0149 57.4453 39.5960 174.6826 53 K 5.1152 8.9308 121.9340 54.6166 35.6176 175.2918 54 V 5.0374 9.2735 124.4740 61.1683 34.8356 174.0485 55 V 4.8765 9.3151 128.3294 61.2784 33.8101 174.1343 56 V 4.8540 8.6563 128.2587 61.5262 33.8207 174.2869 57 T 5.3489 8.8847 124.4705 61.7295 71.4737 173.2346 58 I 5.1768 9.0413 119.6449 59.4079 41.1058 173.9378 59 H 5.3207 9.6857 117.9091 53.6664 32.1244 173.4797 60 G 3.8332 7.5075 104.8277 45.9190 0.0000 171.3022 61 E 4.6732 7.8397 118.2105 56.0564 31.1187 176.3536 62 I 4.3215 8.4423 124.9989 60.4721 37.9772 175.5759 63 D 4.5127 8.8306 128.3914 53.7687 41.4676 175.7139 64 P 4.3219 0.0000 0.0000 64.9579 31.8533 177.5231 65 V 4.0832 8.4231 118.5451 63.6664 32.2679 177.5321 66 T 3.9848 8.1725 109.4790 61.5249 69.1948 175.5471 67 G 3.9061 8.4500 109.6101 45.9970 0.0000 172.7520 68 M 4.7296 7.4624 118.8617 53.0594 34.4266 177.4586 69 V 4.0567 8.3730 121.7507 65.4140 32.1468 175.8926 70 M 4.5263 7.3135 114.7831 53.0930 34.9757 173.7211 71 N 4.5117 8.5255 123.2370 53.3152 40.5685 175.9856 72 L 4.0438 8.7078 127.7326 58.2392 41.7992 179.5616 73 T 3.8529 8.0603 115.5449 67.0026 68.4105 176.2361 74 D 4.1707 7.9721 120.0388 57.0837 40.8513 178.4255 75 L 4.2765 7.9253 120.9064 57.9831 42.0955 179.1451 76 K 3.9763 8.6306 118.8994 59.5702 32.0177 179.0844 77 E 3.9316 7.9965 118.5455 59.5899 29.2651 179.0499 78 Y 4.2740 7.9338 116.6903 61.5815 37.9031 178.7523 79 M 4.1244 8.5258 119.6674 58.1360 31.9920 178.7702 80 E 3.9708 8.3170 119.1501 59.3629 29.4213 178.9478 81 E 3.9696 7.8910 117.6511 59.0593 29.8237 178.1794 82 A 4.1881 8.1664 119.7797 53.6293 19.0431 177.7860 83 I 4.1887 7.9346 115.7850 63.1719 39.1738 177.8632 84 M 4.0034 7.8116 118.4571 58.3853 31.7417 178.5712 85 K 3.8913 8.2768 117.5929 59.1191 32.3828 177.0069 86 P 4.4413 0.0000 0.0000 64.5575 31.7237 176.8221 87 L 4.2858 7.5799 117.4381 55.0729 43.2881 176.5303 88 D 4.4429 8.0615 119.0391 55.4809 41.6071 175.6204 89 H 4.0929 9.2581 125.1540 57.1181 26.6461 174.0610 90 K 4.6315 7.5687 116.5099 54.6886 36.5770 175.3449 91 N 5.1539 8.9898 119.0951 51.8540 39.4316 175.2449 92 L 3.8410 8.7954 127.2201 58.1789 41.8316 179.8886 93 D 4.5756 8.1012 115.9570 56.3837 41.0182 177.1826 94 L 4.5390 7.8299 117.3279 55.0560 43.0276 176.9167 95 D 4.7065 8.3463 116.9122 53.8558 42.1974 176.4728 96 V 4.3754 7.2994 118.2126 59.1508 33.0569 174.4327 97 P 4.1920 0.0000 0.0000 65.8252 31.5180 177.6103 98 Y 3.8563 8.2912 117.1291 60.8490 38.3856 176.9429 99 F 4.7893 8.1646 113.8196 56.9176 39.0608 176.4565 100 A 4.1883 8.1908 126.4330 54.6833 18.1525 178.9795 101 D 4.9245 7.8538 112.2236 52.6341 39.8750 175.4501 102 V 4.2772 7.3812 118.8690 61.1924 34.0760 174.7394 103 V 3.7698 8.5758 127.5586 63.2357 32.1574 176.5010 104 S 4.4199 8.4405 124.3017 58.2288 62.6378 174.3236 105 T 4.2890 7.6085 111.4859 62.4539 71.2496 174.5579 106 T 3.9982 8.4861 117.8168 66.7579 68.3901 176.5536 107 E 3.9748 8.2229 119.9583 59.7968 29.5572 179.1930 108 N 4.5497 8.2582 115.9894 56.0357 38.5487 177.7957 109 V 3.8778 8.1103 119.9994 65.8086 31.5172 177.9441 110 A 4.1098 8.3034 120.7607 55.0605 18.1928 179.7968 111 V 3.1414 7.7058 116.7448 66.1415 31.6247 177.4310 112 Y 3.4714 8.1973 119.5918 60.7489 38.5177 178.3451 113 I 3.5638 8.0526 120.5504 63.8807 37.1292 178.0346 114 W 4.0552 8.4902 129.4423 60.7241 30.4190 177.8090 115 E 3.9861 8.4572 118.3753 59.4386 28.3813 179.1284 116 N 4.0720 7.7332 116.3569 56.3203 38.5364 177.5061 117 L 3.6481 7.7450 120.2224 57.7515 41.4098 179.4866 118 Q 3.7636 7.6757 117.2607 59.0153 28.6452 178.9629 119 R 3.9880 7.4872 118.1673 58.6229 30.0697 178.4529 120 L 4.3083 6.8936 117.3659 55.9361 42.5629 177.6873 121 L 3.6175 7.0430 117.3288 53.3223 42.3847 175.3165 122 P 4.2921 0.0000 0.0000 62.1366 31.9330 176.3981 123 V 3.6548 8.2076 121.2609 64.7215 31.6179 176.7621 124 G 3.9746 8.9129 113.7751 45.7285 0.0000 174.3659 125 A 4.0614 8.0424 123.4246 54.8490 18.5795 177.9019 126 L 4.2323 7.6177 117.4283 55.3296 42.5585 175.1385 127 Y 4.7082 8.5363 127.0026 58.8668 40.9243 175.5074 128 K 4.8740 7.7525 117.2938 55.3452 36.0403 174.3906 129 V 4.9917 8.9855 125.2848 61.0159 34.7203 173.9347 130 K 5.0046 9.3919 129.5098 54.5672 35.0403 174.5745 131 V 4.9909 8.9352 127.5506 61.4373 34.5556 173.6102 132 Y 4.7447 9.6146 126.7289 56.5103 38.6459 176.4354 133 E 3.6066 9.1460 127.4707 58.5901 30.1959 176.1327 134 T 4.6400 7.2824 106.5015 59.9863 71.9910 173.8190 135 D 4.5532 8.7078 120.1117 56.9485 40.7990 177.2570 136 N 4.7039 7.8192 114.3079 53.1046 39.5453 174.2612 137 N 4.9915 7.9029 115.2203 51.5043 41.0524 173.5509 138 I 4.9328 8.2957 123.8247 59.2713 41.0979 175.3448 139 V 4.4529 8.6758 124.7674 61.0619 34.8443 174.1760 140 V 4.8923 8.4830 126.6780 61.2360 33.7707 173.8184 141 Y 4.7052 9.1112 128.2611 55.3988 41.9509 175.6086 142 K 3.7459 7.1370 124.5936 55.8027 33.2810 176.7859 143 G 2.6214 5.3800 104.4945 44.7614 0.0000 174.2273 144 E 4.0322 6.8723 123.9206 56.0877 29.6575 176.0100 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 *7 L 8.18 4.40 0.00 1.40 1.51 0.92 0.45 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 8 R 7.90 4.62 0.00 1.80 1.79 0.00 3.31 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 9 R 9.19 4.19 0.00 1.76 1.83 0.00 3.07 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 10 R 8.49 5.16 0.00 1.62 1.76 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 11 A 8.95 4.77 1.18 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 0.00 0.00 12 R 8.48 5.00 0.00 1.64 1.81 0.00 3.07 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 0.00 13 L 9.12 4.77 0.00 1.71 1.51 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.76 5.97 0.00 3.81 3.79 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 15 R 8.38 4.67 0.00 1.91 1.75 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 16 L 8.66 5.41 0.00 1.73 1.55 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.82 4.83 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 0.94 0.00 0.00 1.01 0.00 0.00 18 S 8.73 5.40 0.00 3.87 3.81 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 19 F 8.63 5.20 0.00 3.29 3.17 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 20 S 9.02 5.29 0.00 3.59 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 21 A 8.96 5.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 5.28 0.00 3.96 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 23 H 8.72 4.97 0.00 3.21 3.31 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.00 4.62 0.00 1.68 1.69 0.00 3.34 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.70 0.00 25 L 8.76 4.01 0.00 1.36 0.28 1.01 0.61 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 26 H 7.97 4.82 0.00 2.96 3.06 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.48 4.68 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.23 0.00 2.08 2.11 0.00 3.75 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 2.03 2.13 0.00 29 S 8.12 4.28 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 30 L 7.41 4.88 0.00 1.75 1.54 0.92 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 31 S 8.73 4.44 0.00 4.20 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 0.00 32 A 8.67 4.03 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 33 E 8.15 4.04 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 34 E 7.99 3.91 0.00 2.14 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 2.31 2.34 0.00 35 N 8.41 4.38 0.00 3.12 3.10 0.00 0.00 6.70 7.59 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 36 L 7.77 4.02 0.00 1.96 1.81 0.94 0.48 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 37 K 7.80 3.90 0.00 1.78 1.92 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 V 7.58 3.45 1.29 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 -0.12 0.00 0.00 0.74 0.00 0.00 39 F 8.48 4.77 0.00 3.22 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 40 G 8.86 3.81 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 0.00 41 K 8.60 4.12 0.00 1.92 2.08 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.44 7.81 42 C 8.16 4.19 0.00 3.34 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 43 N 7.83 4.73 0.00 2.88 3.03 0.00 0.00 7.04 7.93 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 44 N 8.14 4.09 0.00 2.93 2.77 0.00 0.00 6.84 7.24 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 45 P 0.00 4.14 0.00 2.19 2.19 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 46 N 8.17 4.56 0.00 2.73 2.87 0.00 0.00 6.98 7.65 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 47 G 9.68 3.76 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 0.00 0.00 0.00 48 H 7.94 4.56 0.00 3.14 3.36 0.00 5.26 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 49 G 8.30 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 50 H 9.01 4.74 0.00 1.98 2.66 0.00 5.60 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 51 N 8.35 5.12 0.00 2.49 2.69 0.00 0.00 6.99 7.46 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 52 Y 8.52 4.23 0.00 1.43 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 0.00 0.00 0.00 0.00 53 K 8.93 5.12 0.00 1.70 1.63 0.00 1.40 0.00 0.00 1.38 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.23 7.81 54 V 9.27 5.04 2.28 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 1.16 0.00 0.00 1.30 0.00 0.00 55 V 9.32 4.88 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.15 0.00 0.00 56 V 8.66 4.85 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 0.90 0.00 0.00 0.98 0.00 0.00 57 T 8.88 5.35 4.46 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 1.41 0.00 0.00 58 I 9.04 5.18 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.86 0.00 0.00 59 H 9.69 5.32 0.00 3.12 3.08 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.51 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 61 E 7.84 4.67 0.00 1.93 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 2.37 2.31 0.00 62 I 8.44 4.32 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 1.11 0.59 0.92 0.00 0.00 63 D 8.83 4.51 0.00 2.82 2.55 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 64 P 0.00 4.32 0.00 2.21 2.17 0.00 3.80 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 1.98 1.95 0.00 65 V 8.42 4.08 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 0.80 0.00 0.00 0.93 0.00 0.00 66 T 8.17 3.98 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 67 G 8.45 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 68 M 7.46 4.73 0.00 2.23 1.95 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 2.70 2.43 0.00 69 V 8.37 4.06 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 1.13 0.00 0.00 0.99 0.00 0.00 70 M 7.31 4.53 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 71 N 8.53 4.51 0.00 2.80 2.86 0.00 0.00 7.08 6.66 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 72 L 8.71 4.04 0.00 1.70 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.06 3.85 4.33 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 1.17 0.00 0.00 74 D 7.97 4.17 0.00 2.83 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 75 L 7.93 4.28 0.00 1.88 1.87 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.63 3.98 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.75 7.81 77 E 8.00 3.93 0.00 1.95 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 2.25 2.44 0.00 78 Y 7.93 4.27 0.00 3.20 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 79 M 8.53 4.12 0.00 2.10 2.28 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 2.83 2.62 0.00 80 E 8.32 3.97 0.00 2.25 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 0.00 2.35 2.46 0.00 81 E 7.89 3.97 0.00 1.94 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 2.35 2.37 0.00 82 A 8.17 4.19 1.30 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 0.00 0.00 83 I 7.93 4.19 1.99 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 1.51 0.87 0.77 0.00 0.00 84 M 7.81 4.00 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 85 K 8.28 3.89 0.00 1.69 1.89 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 86 P 0.00 4.44 0.00 2.30 2.25 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 87 L 7.58 4.29 0.00 0.87 0.94 0.49 0.57 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 88 D 8.06 4.44 0.00 2.70 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 89 H 9.26 4.09 0.00 3.32 3.42 0.00 5.85 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 90 K 7.57 4.63 0.00 1.84 1.64 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.53 7.81 91 N 8.99 5.15 0.00 2.70 2.81 0.00 0.00 7.59 6.44 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 92 L 8.80 3.84 0.00 1.70 1.25 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.10 4.58 0.00 2.66 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 94 L 7.83 4.54 0.00 1.57 1.71 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.35 4.71 0.00 2.80 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 96 V 7.30 4.38 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 0.82 0.00 0.00 0.89 0.00 0.00 97 P 0.00 4.19 0.00 2.26 2.21 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 98 Y 8.29 3.86 0.00 2.92 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 99 F 8.16 4.79 0.00 3.34 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 0.00 100 A 8.19 4.19 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 0.00 101 D 7.85 4.92 0.00 2.67 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 0.00 102 V 7.38 4.28 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 1.05 0.00 0.00 0.46 0.00 0.00 103 V 8.58 3.77 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 0.77 0.00 0.00 1.00 0.00 0.00 104 S 8.44 4.42 0.00 3.56 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.61 4.29 4.50 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 1.34 0.00 0.00 106 T 8.49 4.00 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 0.00 107 E 8.22 3.97 0.00 2.09 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 2.42 2.49 0.00 108 N 8.26 4.55 0.00 3.14 3.27 0.00 0.00 6.75 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 0.00 109 V 8.11 3.88 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 0.98 0.00 0.00 0.72 0.00 0.00 110 A 8.30 4.11 1.46 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 0.00 0.00 111 V 7.71 3.14 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 1.00 0.00 0.00 0.22 0.00 0.00 112 Y 8.20 3.47 0.00 2.27 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 0.00 113 I 8.05 3.56 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.95 0.00 0.00 114 W 8.49 4.06 0.00 3.76 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.46 3.99 0.00 1.99 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 2.47 2.64 0.00 116 N 7.73 4.07 0.00 2.58 2.62 0.00 0.00 7.05 6.17 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 0.00 117 L 7.74 3.65 0.00 1.51 1.40 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.68 3.76 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 1.80 2.41 0.00 119 R 7.49 3.99 0.00 1.82 1.94 0.00 3.10 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 120 L 6.89 4.31 0.00 1.50 1.67 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.04 3.62 0.00 1.41 1.30 -0.14 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.29 0.00 2.12 1.94 0.00 3.39 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 123 V 8.21 3.65 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 0.77 0.00 0.00 0.91 0.00 0.00 124 G 8.91 3.97 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 0.00 0.00 0.00 125 A 8.04 4.06 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 0.00 126 L 7.62 4.23 0.00 1.18 1.06 0.69 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.54 4.71 0.00 2.59 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 0.00 128 K 7.75 4.87 0.00 1.44 1.65 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.46 1.34 7.81 129 V 8.99 4.99 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 1.21 0.00 0.00 1.16 0.00 0.00 130 K 9.39 5.00 0.00 1.86 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.41 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.98 1.16 7.81 131 V 8.94 4.99 2.19 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 1.24 0.00 0.00 1.08 0.00 0.00 132 Y 9.61 4.74 0.00 2.89 3.11 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 0.00 133 E 9.15 3.61 0.00 1.89 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 1.65 1.60 0.00 134 T 7.28 4.64 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 D 8.71 4.55 0.00 2.70 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 0.00 136 N 7.82 4.70 0.00 2.64 2.86 0.00 0.00 6.79 8.26 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 0.00 137 N 7.90 4.99 0.00 2.63 2.71 0.00 0.00 6.63 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 0.00 138 I 8.30 4.93 1.69 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 0.94 0.56 0.29 0.00 0.00 139 V 8.68 4.45 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 0.95 0.00 0.00 140 V 8.48 4.89 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 0.78 0.00 0.00 0.88 0.00 0.00 141 Y 9.11 4.71 0.00 3.02 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 0.00 142 K 7.14 3.75 0.00 1.23 1.23 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.07 7.81 143 G 5.38 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 6.87 4.03 0.00 1.75 1.73 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 2.07 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.