NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2164 8.2493 123.5754 52.3340 20.6039 177.7105 3 C 4.4606 7.7667 116.1655 57.9823 29.4462 173.2404 4 H 4.3517 8.6824 120.4232 59.4769 29.7321 178.7298 5 E 4.0067 8.2230 120.2049 59.4316 29.3453 179.2095 6 L 4.0130 7.8765 118.4207 57.8036 41.7711 179.4365 7 S 4.0862 7.9093 114.9107 61.5947 62.8193 176.6247 8 A 3.9698 8.0466 123.2282 55.1725 18.1698 179.4507 9 L 3.8960 7.9420 118.8361 58.3303 42.1978 179.1613 10 R 3.9371 8.7196 118.9876 59.2226 29.9111 178.7383 11 I 3.6804 7.8887 119.6301 64.3049 37.3403 178.0378 12 A 3.9980 8.0414 121.5780 55.4083 18.1583 179.8148 13 I 3.7967 8.0083 118.3378 64.3264 37.0857 178.6906 14 G 3.7255 8.1049 106.6380 48.0302 0.0000 175.5302 15 E 3.9513 8.3367 120.8575 59.1079 29.3014 179.2284 16 L 4.0381 7.7173 118.6898 57.2419 42.0868 177.9765 17 L 4.4923 7.5077 116.5996 52.9728 42.6573 176.0697 18 E 3.7922 8.0138 117.3134 57.2408 27.5864 175.4014 19 K 4.2564 8.0663 116.6622 55.6627 33.5314 177.8702 20 E 4.0739 8.5085 121.6646 56.0850 30.3235 178.0531 21 A 4.0398 8.6863 124.2183 55.5726 18.1822 179.8557 22 H 4.2811 8.1303 112.1594 58.6060 28.6343 176.9935 23 D 4.4946 7.6794 120.9658 56.0198 41.0170 177.4242 24 L 4.6973 7.5298 117.8124 54.2819 41.9322 177.9036 25 L 3.9441 7.8458 120.5862 58.4868 41.7057 178.4502 26 H 4.0961 8.3491 117.1061 59.7805 29.4879 176.9045 27 E 3.8081 7.9183 119.5078 59.3144 29.4338 179.3660 28 R 3.9417 8.1069 118.2002 59.0849 29.8676 178.8508 29 E 4.0658 8.2650 117.9539 58.7812 29.5925 178.2604 30 E 4.2989 7.9640 116.3653 57.2223 30.3264 177.2813 31 L 4.2355 7.4582 119.7580 55.7395 42.1949 177.6920 32 A 4.0041 7.7504 121.4465 54.8818 18.1213 177.5257 33 P 4.2035 0.0000 0.0000 64.6012 31.7307 177.4246 34 V 4.3345 7.6188 110.6849 61.2321 33.2552 177.1792 35 L 4.1432 7.3636 118.3714 57.9679 41.4845 179.4017 36 G 3.7207 7.9456 104.1057 47.8420 0.0000 174.9652 37 Q 4.2884 8.0150 120.1232 56.7397 30.7669 176.6345 38 R 4.5314 8.1735 120.8112 52.9129 28.3096 174.2454 39 P 4.2211 0.0000 0.0000 65.6663 31.7973 177.2858 40 E 3.9331 8.2608 115.4548 59.8243 29.1794 179.0410 41 L 3.9421 7.7835 119.2247 57.2492 41.6800 179.4726 42 K 3.9348 7.8310 119.3128 59.3222 32.2643 178.7372 43 R 3.8569 8.0916 119.1893 59.2797 29.7848 177.9969 44 L 3.8745 8.3730 119.0757 58.3445 42.2298 178.5069 45 A 4.2798 8.0080 119.6946 54.7102 18.3735 178.4122 46 E 4.3851 7.7315 113.9478 55.1302 30.4951 176.4096 47 A 3.9894 7.3594 122.8851 52.8631 18.6824 177.5693 48 K 4.4520 8.6418 120.9473 56.4151 33.5974 176.4798 49 T 4.7413 7.3091 109.0634 59.0523 73.1590 174.6051 50 L 4.0037 8.2502 121.1290 57.4250 41.5980 178.0632 51 P 4.2031 0.0000 0.0000 65.4339 31.3060 178.5331 52 A 3.9994 7.8126 119.7650 54.8691 18.2338 179.4699 53 L 3.8739 7.9242 118.9861 58.2590 42.1054 179.1068 54 E 3.9257 8.3253 118.5892 59.3983 29.4677 178.8488 55 E 3.8870 8.5173 119.4719 59.2616 29.6266 178.7371 56 A 3.9632 8.1752 120.8088 55.0982 18.4339 179.3036 57 L 3.8654 8.0386 118.9150 58.1676 42.1116 179.0741 58 R 3.8441 8.3052 119.0067 59.5567 30.1706 178.0388 59 E 3.9140 8.2343 118.7653 59.3405 29.4889 178.6893 60 A 4.0372 8.1818 120.9063 55.0118 18.3314 179.6408 61 L 3.9441 8.1151 117.7526 57.6453 41.6271 179.7559 62 L 3.9402 7.9098 119.1985 57.9836 41.6044 178.8871 63 H 4.0202 8.0259 117.6914 59.2401 29.7840 177.0199 64 L 3.8730 8.2036 122.3694 58.1172 41.8677 178.5700 65 E 3.9002 8.4769 119.6192 59.0997 29.5054 178.3980 66 E 3.8480 8.1903 119.5678 59.0283 29.7272 178.8165 67 R 3.5430 7.7081 118.6043 59.2593 29.8608 178.3779 68 A 4.0548 7.7105 119.1391 55.0643 18.3931 179.1818 69 A 4.0866 7.8073 118.6804 55.4546 18.5542 179.7016 70 Q 4.1700 8.1134 115.5135 57.5336 30.4448 176.6760 71 E 4.9089 7.9374 118.7788 53.5341 29.8896 174.2758 72 P 4.3476 0.0000 0.0000 65.4118 31.9948 178.0174 73 E 3.9918 8.2828 113.9060 57.6776 29.4618 176.1971 74 E 4.4697 8.0468 121.8279 53.6190 29.7133 174.1336 75 P 4.2755 0.0000 0.0000 65.8272 31.1198 177.3459 76 Y 3.9035 8.1774 119.5056 60.6204 38.5209 178.4162 77 W 4.4607 7.6767 119.5772 59.8815 29.1468 178.7067 78 R 4.2104 8.1433 117.6633 58.7686 29.7809 179.0740 79 G 3.5164 8.1842 106.1957 47.5226 0.0000 175.6233 80 L 3.9048 7.9054 122.7400 57.2618 41.9528 178.8867 81 L 3.9269 7.8299 120.6780 58.0083 42.0504 178.7475 82 L 3.9353 7.8582 118.7138 57.7467 41.3659 179.2572 83 A 3.9510 7.5029 118.6144 55.3593 18.4442 179.5211 84 V 3.6817 7.5321 115.0827 66.2651 31.9058 177.7876 85 E 4.1491 8.4662 118.1812 59.0064 29.0741 179.5027 86 A 4.3695 7.9652 119.7294 52.4241 18.4299 178.7974 *88 E 4.1958 8.3377 124.1258 57.6900 31.8220 178.1663 89 G 3.6197 7.8454 105.3043 47.7556 0.0000 176.0630 90 R 4.0154 7.8642 120.4562 58.6010 29.9523 178.9550 91 L 3.9333 7.8011 119.9199 58.0459 42.2611 178.8780 92 K 3.9155 8.0725 118.2542 59.5839 32.1374 179.2324 93 A 4.1747 8.0092 120.8707 54.7839 18.2159 179.5755 94 L 3.8812 7.8603 119.1563 58.3706 42.2054 179.1378 95 R 3.8801 8.3726 118.8909 59.4016 29.9920 178.3462 96 A 4.1048 8.6615 120.8907 54.7719 18.2947 179.3451 97 E 3.8369 8.0537 117.7169 59.3166 29.7856 178.8205 98 A 4.0049 8.0042 120.7660 55.2607 18.4549 179.2032 99 E 3.9384 8.5702 117.3024 59.7040 29.5403 179.6750 100 A 4.0041 8.0320 120.4891 55.0952 18.6099 179.3266 101 L 3.9144 8.0507 118.9058 58.5092 40.6537 178.4238 102 Y 4.1803 8.6287 119.7385 61.0066 38.7593 178.3618 103 Q 4.0350 8.3323 118.8900 58.9594 28.9341 178.2147 104 D 4.4653 8.5594 119.8388 56.6771 40.8943 178.7805 105 L 3.9800 7.6797 119.8493 57.6694 41.7074 178.8579 106 D 4.2395 7.4720 117.5540 57.1316 41.1721 178.1426 107 A 3.9844 7.8695 121.2142 55.0992 18.3545 179.3829 108 L 3.9503 8.4830 119.1674 58.2605 42.1940 178.6853 109 H 4.2392 8.1048 118.2022 59.1837 29.8227 177.4663 110 G 3.5509 7.9313 107.0261 47.9020 0.0000 175.8430 111 R 3.9727 8.0329 120.7747 58.7161 30.0376 178.8866 112 L 4.0575 8.1315 120.2046 58.6247 41.8432 178.5909 113 H 4.2219 8.1150 117.7245 59.1936 29.5352 177.0294 114 R 3.9575 8.0255 119.5770 58.4348 30.0186 177.5653 115 L 4.3346 8.0845 117.6626 54.9481 43.6011 176.8395 116 F 4.6687 8.2521 116.4867 54.2307 39.2179 173.1590 117 P 4.7365 0.0000 0.0000 62.3640 31.0403 176.4648 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 A 8.25 4.22 1.36 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 0.00 0.00 3 C 7.77 4.46 0.00 3.26 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 4 H 8.68 4.35 0.00 3.26 3.40 0.00 5.64 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 5 E 8.22 4.01 0.00 2.08 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 2.42 2.48 0.00 6 L 7.88 4.01 0.00 1.85 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.91 4.09 0.00 3.95 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 8 A 8.05 3.97 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 9 L 7.94 3.90 0.00 1.92 1.83 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.72 3.94 0.00 1.98 2.07 0.00 3.16 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 I 7.89 3.68 2.04 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 1.44 0.72 0.96 0.00 0.00 12 A 8.04 4.00 1.36 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 0.00 0.00 13 I 8.01 3.80 1.87 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 1.67 0.80 0.91 0.00 0.00 14 G 8.10 3.73 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 0.00 0.00 0.00 15 E 8.34 3.95 0.00 2.16 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 2.53 2.45 0.00 16 L 7.72 4.04 0.00 1.65 1.90 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.51 4.49 0.00 1.78 1.65 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.01 3.79 0.00 2.07 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 2.26 2.25 0.00 19 K 8.07 4.26 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.54 7.81 20 E 8.51 4.07 0.00 2.12 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 2.40 2.29 0.00 21 A 8.69 4.04 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 22 H 8.13 4.28 0.00 3.27 3.48 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.68 4.49 0.00 2.75 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 24 L 7.53 4.70 0.00 1.68 1.65 0.91 0.61 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 25 L 7.85 3.94 0.00 1.72 1.76 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.35 4.10 0.00 3.18 3.34 0.00 5.67 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 27 E 7.92 3.81 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 2.36 2.28 0.00 28 R 8.11 3.94 0.00 2.00 1.96 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 29 E 8.26 4.07 0.00 2.18 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 2.35 2.35 0.00 30 E 7.96 4.30 0.00 2.08 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 2.37 2.35 0.00 31 L 7.46 4.24 0.00 1.88 1.61 0.92 1.19 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 32 A 7.75 4.00 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 P 0.00 4.20 0.00 2.24 2.19 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 34 V 7.62 4.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.83 0.00 0.00 35 L 7.36 4.14 0.00 1.46 1.75 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.95 3.72 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 0.00 0.00 0.00 37 Q 8.01 4.29 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.21 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 38 R 8.17 4.53 0.00 1.75 1.89 0.00 3.33 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 39 P 0.00 4.22 0.00 2.14 2.12 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 40 E 8.26 3.93 0.00 2.14 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 0.00 2.34 2.34 0.00 41 L 7.78 3.94 0.00 1.87 1.75 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.83 3.93 0.00 1.81 2.03 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.48 7.81 43 R 8.09 3.86 0.00 1.91 2.09 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 L 8.37 3.87 0.00 1.69 1.86 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.01 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.73 4.39 0.00 2.02 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 2.26 2.48 0.00 47 A 7.36 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.64 4.45 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.58 7.81 49 T 7.31 4.74 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 1.19 0.00 0.00 50 L 8.25 4.00 0.00 1.68 1.73 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.20 0.00 2.12 2.06 0.00 3.56 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 2.06 2.10 0.00 52 A 7.81 4.00 1.28 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 0.00 0.00 53 L 7.92 3.87 0.00 2.00 1.84 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.33 3.93 0.00 2.20 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 2.32 2.52 0.00 55 E 8.52 3.89 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 56 A 8.18 3.96 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 57 L 8.04 3.87 0.00 1.85 1.81 0.92 0.75 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 58 R 8.31 3.84 0.00 2.03 2.07 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 59 E 8.23 3.91 0.00 2.08 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 0.00 2.30 2.33 0.00 60 A 8.18 4.04 1.36 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 0.00 0.00 61 L 8.12 3.94 0.00 1.87 1.72 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.91 3.94 0.00 1.88 1.70 0.91 0.96 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 63 H 8.03 4.02 0.00 3.20 3.39 0.00 5.59 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 64 L 8.20 3.87 0.00 1.84 1.86 0.96 1.20 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 65 E 8.48 3.90 0.00 2.10 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 2.28 2.30 0.00 66 E 8.19 3.85 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 67 R 7.71 3.54 0.00 1.53 1.53 0.00 2.74 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 68 A 7.71 4.05 1.42 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 0.00 0.00 69 A 7.81 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.11 4.17 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 71 E 7.94 4.91 0.00 2.26 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 2.30 0.00 72 P 0.00 4.35 0.00 2.07 2.15 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 73 E 8.28 3.99 0.00 2.10 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 0.00 2.34 2.29 0.00 74 E 8.05 4.47 0.00 2.14 2.21 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 1.64 1.87 0.00 75 P 0.00 4.28 0.00 2.31 2.31 0.00 3.76 0.00 0.00 3.77 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 76 Y 8.18 3.90 0.00 2.93 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 77 W 7.68 4.46 0.00 3.39 3.09 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 78 R 8.14 4.21 0.00 1.99 1.99 0.00 3.20 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 79 G 8.18 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.91 3.90 0.00 1.20 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.83 3.93 0.00 2.07 1.84 0.92 0.50 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 82 L 7.86 3.94 0.00 1.89 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.50 3.95 1.33 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 0.00 0.00 84 V 7.53 3.68 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 0.87 0.00 0.00 0.97 0.00 0.00 85 E 8.47 4.15 0.00 2.22 1.98 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 0.00 2.33 2.50 0.00 86 A 7.97 4.37 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 *88 E 8.34 4.20 0.00 2.04 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 0.00 2.27 2.31 0.00 89 G 7.85 3.62 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 90 R 7.86 4.02 0.00 1.82 1.99 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 91 L 7.80 3.93 0.00 1.75 1.82 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.07 3.92 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.68 7.81 93 A 8.01 4.17 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 94 L 7.86 3.88 0.00 1.92 1.87 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.37 3.88 0.00 1.94 2.05 0.00 3.40 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 96 A 8.66 4.10 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 97 E 8.05 3.84 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 98 A 8.00 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.57 3.94 0.00 2.15 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 2.51 2.49 0.00 100 A 8.03 4.00 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 0.00 101 L 8.05 3.91 0.00 1.81 1.97 0.94 0.67 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 0.00 102 Y 8.63 4.18 0.00 3.08 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 0.00 103 Q 8.33 4.04 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 104 D 8.56 4.47 0.00 2.65 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 0.00 105 L 7.68 3.98 0.00 1.74 1.64 0.94 0.70 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 0.00 106 D 7.47 4.24 0.00 2.67 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 0.00 107 A 7.87 3.98 1.36 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 0.00 0.00 108 L 8.48 3.95 0.00 1.83 1.86 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.10 4.24 0.00 3.36 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.93 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.03 3.97 0.00 2.01 2.03 0.00 3.31 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 112 L 8.13 4.06 0.00 1.89 1.84 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.11 4.22 0.00 3.22 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.03 3.96 0.00 1.97 2.16 0.00 3.30 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 115 L 8.08 4.33 0.00 1.88 1.52 1.01 0.65 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 0.00 116 F 8.25 4.67 0.00 3.02 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 0.00 117 P 0.00 4.74 0.00 2.00 1.95 0.00 3.69 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.