NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Y 4.6321 8.1449 118.3339 58.1110 39.3510 174.4782 6 D 4.3045 9.0385 123.1038 55.8794 42.1972 174.9979 7 Y 4.7994 7.6916 113.6064 56.4718 43.3856 173.5329 8 L 4.7460 8.4958 122.7242 53.5216 44.4061 175.3186 9 F 5.0047 9.1915 126.2705 55.6939 41.6346 174.7693 10 K 5.0260 8.8471 125.6364 55.3321 33.4615 174.9855 11 L 5.6113 9.1533 127.9946 52.5920 45.2800 175.7176 12 L 4.9428 8.2063 121.5828 54.0724 45.5969 174.0992 13 L 4.8971 8.5595 126.9384 53.7763 42.6301 176.3080 14 I 4.0364 10.2340 125.1978 58.9423 40.4153 174.7239 15 G 3.9751 6.3895 109.3522 43.5618 0.0000 172.8146 16 D 4.9264 8.2629 120.3525 53.9872 41.5311 176.6513 17 S 4.3547 8.4984 117.4692 60.1349 63.3306 175.0812 18 G 4.0328 8.9666 111.5114 45.9201 0.0000 174.6581 19 V 3.8240 7.1634 113.6139 62.4178 32.1715 177.2403 20 G 4.3038 8.4587 108.3546 45.6250 0.0000 175.6357 21 K 3.9622 8.4671 121.4203 59.4982 32.0235 179.2967 22 S 4.3602 7.9342 116.1449 61.0742 62.6969 176.4745 23 C 4.2326 7.9737 119.0522 62.7865 28.0666 175.6820 24 L 4.0642 8.4330 120.8938 57.9387 41.2373 179.1405 25 L 4.1190 8.2297 120.0557 58.6192 41.9916 179.1693 26 L 4.0138 8.0694 118.5951 57.3070 41.5053 179.2723 27 R 4.2055 8.4337 120.5956 58.9252 29.8764 178.3585 28 F 4.2516 8.6326 118.9689 61.2708 39.4902 176.7109 29 A 3.6393 7.9238 119.1056 54.5402 18.3868 178.4570 30 D 4.6592 8.0913 114.0452 52.7216 42.8624 175.8087 31 D 4.5055 8.2362 117.9935 55.6500 40.0078 173.0291 32 T 4.6839 7.2227 105.6301 59.7467 71.6767 171.9100 33 Y 4.6042 7.9580 118.4214 57.3660 41.3694 173.0641 34 T 4.3065 7.2906 119.9133 60.3131 70.4231 173.6278 35 E 3.8867 8.5103 127.7863 58.8134 29.8257 177.6207 36 S 4.1041 7.2223 113.2848 58.3475 62.8132 173.0832 37 Y 4.1180 8.5521 127.8039 57.5475 38.8315 174.9711 38 I 3.9314 7.6971 128.7972 59.5861 37.5196 175.5556 39 S 3.8514 8.1198 121.1086 61.0009 62.5501 174.0533 40 T 4.4155 7.0171 110.4999 61.0935 69.2879 172.6143 41 I 3.9260 8.2690 119.0297 60.8565 37.6867 177.8172 42 G 3.9774 8.1464 108.1690 46.2230 0.0000 174.3826 43 V 4.3962 7.1463 111.5065 59.3660 35.7708 175.8621 44 D 4.6310 8.4374 123.0325 57.6026 40.8288 176.0671 45 F 4.4303 5.9417 111.6077 56.1871 41.0894 173.4717 46 K 4.6382 8.5092 117.8191 54.5665 35.3786 175.5470 47 I 4.9963 8.1789 123.1333 59.6539 39.8287 175.0975 48 R 4.5351 8.7735 125.7791 55.2551 33.7164 173.6926 49 T 5.2468 8.4831 122.3899 62.3844 70.5035 173.8952 50 I 4.8173 8.5145 116.9316 59.6281 41.5904 173.5782 51 E 5.0997 8.5284 122.0368 55.0722 32.1077 175.8074 52 L 4.1720 9.3246 122.1669 55.6376 45.2611 174.5998 53 D 4.5045 10.1414 126.9696 55.3495 38.4608 174.8348 54 G 3.9754 8.6648 105.6657 45.1317 0.0000 173.9361 55 K 4.7088 8.4528 120.3495 54.7661 34.1850 175.3159 56 T 4.7970 9.4225 121.2237 63.1164 70.2413 174.0028 57 I 5.0387 8.8908 126.5756 59.4710 41.2317 174.5989 58 K 4.4025 8.5934 129.0194 55.9210 33.6320 175.4550 59 L 5.3532 8.8830 126.0740 52.9474 45.4929 175.2581 60 Q 4.8639 9.2779 123.7544 54.4883 31.8727 173.9282 61 I 5.2059 8.7600 128.0116 59.4415 40.3907 175.1485 62 W 5.0122 9.0735 125.9560 54.7068 31.9398 176.0035 63 D 4.7495 8.0659 119.3450 53.4694 40.7932 176.3311 *78 Y 4.7314 7.9373 118.8902 58.2750 40.0567 178.3213 79 R 3.9386 8.1864 117.6481 58.4927 30.4019 176.9943 80 G 3.8645 7.8874 104.0277 44.9281 0.0000 173.0478 81 A 4.5498 7.5702 122.6661 51.7747 19.8095 177.6974 82 H 4.4141 9.5666 119.9034 58.1704 30.3496 175.9101 83 G 4.5012 7.9336 103.2671 44.6720 0.0000 171.7574 84 I 5.1103 9.1888 123.0487 59.2407 41.0224 174.4820 85 I 4.6884 9.1624 127.2086 59.5812 39.7814 174.7613 86 V 4.5482 8.8171 128.1598 61.4244 32.6172 174.6771 87 V 4.8368 8.5264 129.2455 62.2667 33.7252 174.2189 88 Y 5.0153 9.0207 123.3990 56.0631 42.4638 172.4993 89 D 5.2064 8.8884 118.0926 52.3901 43.3007 177.3769 90 V 3.7350 8.5353 120.0847 64.1164 31.7511 177.7013 91 T 4.4736 8.7618 107.7267 61.0773 69.1408 174.6420 92 D 4.7898 8.1753 122.2680 52.2578 43.2270 175.4567 93 Q 4.2117 8.6568 128.9435 58.6675 29.3148 177.2468 94 E 3.9527 8.4100 120.5893 59.4234 29.5693 178.8479 95 S 4.9503 8.1415 113.5253 60.8677 63.3034 175.8205 96 F 4.1412 8.0074 123.1073 61.2166 39.2829 176.7991 97 N 3.9321 8.1368 116.1362 56.3578 38.4412 176.7913 98 N 4.6303 8.0838 116.1332 54.9127 38.6663 177.1765 99 V 3.9130 7.5856 120.9016 65.8947 31.6355 177.3497 100 K 3.8754 7.7790 118.9606 59.9603 31.9005 178.6629 101 Q 3.9552 7.8608 117.3122 58.7883 28.9282 178.5274 102 W 4.6184 8.0512 119.5107 59.4211 28.9047 178.2028 103 L 4.3698 8.0328 118.5831 57.1752 41.2876 179.0703 104 Q 3.9619 7.6691 117.3275 58.5729 28.5601 178.4503 105 E 3.9042 8.2100 119.8563 59.5699 29.3759 179.3362 106 I 3.7550 7.1210 117.1029 64.6547 37.2490 177.9877 107 D 4.4066 8.0591 118.7741 57.0215 40.6195 178.6871 108 R 3.6906 7.4250 118.5219 58.4483 31.5477 176.7939 109 Y 4.5237 6.9313 115.3854 54.5139 37.0551 175.2045 110 A 4.5466 7.4889 118.1836 51.8102 22.5454 176.4956 111 S 3.9968 8.2397 116.9016 58.1616 63.4414 175.9154 112 E 3.9927 8.8804 122.7535 58.7185 29.4037 177.3778 113 N 4.9355 7.8581 115.4452 52.3858 39.2679 174.5546 114 V 3.7882 7.5888 118.3198 62.4504 31.7686 175.9139 115 N 4.6352 9.1673 122.0035 53.3376 39.7547 174.1908 116 K 5.3522 8.3554 119.6377 53.5516 36.2131 175.4902 117 L 4.8859 8.2905 124.1418 53.3452 46.0970 174.2702 118 L 5.1969 8.8638 127.8968 53.6870 44.3322 175.0731 119 V 5.2728 8.4641 125.6190 60.2257 34.8079 174.5375 120 G 3.4539 8.5271 115.6206 44.2217 0.0000 172.4215 121 N 4.9509 8.7912 126.6473 52.6424 41.2037 174.0488 122 K 4.0999 8.8106 117.0116 57.3148 29.0417 178.1179 123 C 4.2628 8.5425 115.6839 60.6837 29.8256 174.6675 124 D 4.3923 8.0063 120.0485 55.8005 40.0954 176.4736 125 L 4.6378 7.6478 122.8894 53.6265 40.0882 177.8015 126 T 3.9586 7.5954 111.2734 64.8852 69.5361 177.5784 127 T 4.0017 7.9092 117.8713 65.7262 68.4629 175.1832 128 K 4.2652 7.9386 119.3697 56.2448 32.8781 176.1069 129 K 4.3562 7.4368 119.8850 56.9756 32.0534 176.3717 130 V 4.1579 8.3942 118.9388 61.4074 33.7034 176.0797 131 V 3.8447 7.9011 119.8221 60.9614 30.4042 175.1898 132 D 4.4088 8.4265 127.0409 54.5970 41.7941 176.0823 133 Y 4.2514 8.9742 125.7978 61.4478 38.7765 178.6839 134 T 4.0775 8.2034 110.0280 64.8846 68.5185 175.9648 135 T 4.0363 7.6306 111.4136 63.6749 69.2299 176.7706 136 A 3.7966 7.5774 124.0142 54.6344 18.2451 179.4478 137 K 3.3051 7.6664 118.5507 59.4397 32.2559 178.6755 138 E 3.8875 8.0667 119.5893 59.0134 29.4477 178.6088 139 F 4.3217 7.9756 120.3121 61.3979 39.5283 176.9234 140 A 3.6851 8.0145 120.3616 55.0942 18.0470 179.3962 141 D 4.3628 8.2974 117.7077 57.6508 40.7735 178.8057 142 S 4.0782 7.7547 113.2084 61.5995 62.7430 175.9291 143 L 4.2476 7.5386 119.7636 54.2052 41.7010 177.2726 144 G 3.8079 8.3873 107.2150 46.1379 0.0000 173.1532 145 I 4.6209 8.0323 120.3365 58.3108 39.4732 174.2236 146 P 4.6054 0.0000 0.0000 62.8794 32.9370 174.8008 147 F 5.5647 8.6043 122.7790 56.7618 42.3509 173.6589 148 L 4.4563 8.4717 124.8175 52.8228 45.9013 175.1315 149 E 4.9228 8.3796 121.7938 55.2120 31.1442 175.2989 150 T 4.8564 8.5112 112.9577 60.1038 73.3703 173.0393 151 S 4.4989 8.8638 115.7014 56.5984 64.2585 174.2358 152 A 3.9091 8.5391 131.3766 54.9471 18.5037 178.8976 153 K 2.4800 7.5608 115.9979 59.1987 32.2832 177.6281 154 N 4.3149 7.9620 113.3040 53.1150 39.2602 174.5110 155 A 3.5660 7.7169 119.2436 53.6919 15.4288 177.9275 156 T 4.4269 7.9982 118.7076 63.0218 71.0780 175.9854 157 N 4.2994 8.9551 121.5547 53.9190 37.2408 176.2450 158 V 3.5772 7.6021 118.5574 65.9238 31.5873 177.2315 159 E 4.2691 8.1845 118.4573 58.9398 29.7355 177.9720 160 Q 3.9959 8.1875 117.7610 59.3152 28.7324 179.2780 161 S 3.8997 8.2363 116.0189 61.8196 62.8286 177.0143 162 F 3.9444 7.3720 118.8667 60.4541 38.4300 177.7015 163 M 4.1308 8.2406 118.4778 58.9414 31.8101 178.9553 164 T 3.8466 8.4671 116.0189 66.6245 68.5478 176.4589 165 M 3.8803 7.9680 119.8887 58.5652 32.3741 177.6607 166 A 4.1490 8.3925 121.1734 55.5820 18.5167 179.0887 167 A 3.9679 8.2803 118.9480 55.7633 18.2757 179.5815 168 E 3.9009 8.0882 117.3864 59.1516 29.5034 179.1595 169 I 4.1807 7.6479 121.3088 63.7735 36.9457 178.3318 170 K 3.8731 8.1098 119.2568 59.0548 31.9547 178.4549 171 K 4.0824 7.6318 119.5025 59.5645 32.2992 178.8895 172 R 4.0280 7.5490 116.5622 58.3739 29.9557 176.6637 173 M 4.2194 7.4026 121.5415 55.3160 32.1969 175.6756 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 5 Y 8.14 4.63 0.00 2.98 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 6 D 9.04 4.30 0.00 2.61 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 0.00 0.00 0.00 7 Y 7.69 4.80 0.00 2.00 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 0.00 0.00 0.00 8 L 8.50 4.75 0.00 1.47 1.54 0.83 0.65 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 9 F 9.19 5.00 0.00 2.89 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 10 K 8.85 5.03 0.00 2.05 2.01 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.80 7.81 11 L 9.15 5.61 0.00 1.85 1.74 1.13 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.21 4.94 0.00 1.74 1.46 0.83 0.09 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 13 L 8.56 4.90 0.00 1.62 1.57 1.04 0.81 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 14 I 10.23 4.04 1.52 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.43 0.00 0.00 15 G 6.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.26 4.93 0.00 3.01 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 17 S 8.50 4.35 0.00 3.96 3.89 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 18 G 8.97 4.03 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 0.00 0.00 0.00 19 V 7.16 3.82 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 0.81 0.00 0.00 0.95 0.00 0.00 20 G 8.46 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 0.00 0.00 0.00 21 K 8.47 3.96 0.00 1.80 1.87 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 S 7.93 4.36 0.00 3.84 3.88 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 23 C 7.97 4.23 0.00 3.27 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 24 L 8.43 4.06 0.00 1.93 1.90 0.88 0.56 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 25 L 8.23 4.12 0.00 1.93 1.83 0.95 0.58 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 26 L 8.07 4.01 0.00 1.84 1.70 0.89 0.85 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 27 R 8.43 4.21 0.00 2.02 2.35 0.00 3.23 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 28 F 8.63 4.25 0.00 3.04 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 29 A 7.92 3.64 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 30 D 8.09 4.66 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.24 4.51 0.00 2.74 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 32 T 7.22 4.68 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 1.20 0.00 0.00 33 Y 7.96 4.60 0.00 2.85 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 34 T 7.29 4.31 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 1.06 0.00 0.00 35 E 8.51 3.89 0.00 1.95 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 2.31 2.28 0.00 36 S 7.22 4.10 0.00 3.73 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 37 Y 8.55 4.12 0.00 2.90 2.86 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 0.00 0.00 0.00 38 I 7.70 3.93 1.69 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 1.18 0.88 0.82 0.00 0.00 39 S 8.12 3.85 0.00 3.82 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 40 T 7.02 4.42 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 1.20 0.00 0.00 41 I 8.27 3.93 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.93 0.00 0.00 42 G 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.15 4.40 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 0.63 0.00 0.00 0.83 0.00 0.00 44 D 8.44 4.63 0.00 2.40 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 45 F 5.94 4.43 0.00 2.29 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 46 K 8.51 4.64 0.00 1.59 1.59 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.44 7.81 47 I 8.18 5.00 1.86 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 1.19 0.72 0.86 0.00 0.00 48 R 8.77 4.54 0.00 1.51 1.46 0.00 2.22 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 49 T 8.48 5.25 4.31 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 1.41 0.00 0.00 50 I 8.51 4.82 1.98 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 1.46 1.00 1.09 0.00 0.00 51 E 8.53 5.10 0.00 1.89 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 2.24 2.23 0.00 52 L 9.32 4.17 0.00 1.71 1.55 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 D 10.14 4.50 0.00 2.87 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 54 G 8.66 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.45 4.71 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.73 7.81 56 T 9.42 4.80 4.18 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 1.20 0.00 0.00 57 I 8.89 5.04 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.49 0.00 0.00 58 K 8.59 4.40 0.00 0.79 1.22 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.17 7.81 59 L 8.88 5.35 0.00 1.71 1.62 1.19 0.86 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 82 H 9.57 4.41 0.00 2.93 3.10 0.00 5.60 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 83 G 7.93 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 0.00 0.00 0.00 0.00 84 I 9.19 5.11 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 1.02 0.00 0.00 85 I 9.16 4.69 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.81 0.00 0.00 86 V 8.82 4.55 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 1.02 0.00 0.00 1.00 0.00 0.00 87 V 8.53 4.84 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 0.86 0.00 0.00 0.87 0.00 0.00 88 Y 9.02 5.02 0.00 3.28 3.21 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 0.00 89 D 8.89 5.21 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.73 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 0.73 0.00 0.00 0.95 0.00 0.00 91 T 8.76 4.47 4.27 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 1.28 0.00 0.00 92 D 8.18 4.79 0.00 2.76 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 93 Q 8.66 4.21 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 94 E 8.41 3.95 0.00 2.17 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 0.00 2.44 2.52 0.00 95 S 8.14 4.95 0.00 4.31 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 96 F 8.01 4.14 0.00 3.04 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 97 N 8.14 3.93 0.00 2.87 2.75 0.00 0.00 7.09 7.04 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 98 N 8.08 4.63 0.00 3.07 2.80 0.00 0.00 6.65 7.04 0.00 0.00 0.00 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1.79 0.89 0.96 0.00 0.00 107 D 8.06 4.41 0.00 2.70 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 0.00 108 R 7.43 3.69 0.00 1.47 1.25 0.00 2.87 0.00 0.00 2.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 109 Y 6.93 4.52 0.00 1.91 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 0.00 110 A 7.49 4.55 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 0.00 111 S 8.24 4.00 0.00 3.87 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 0.00 112 E 8.88 3.99 0.00 2.04 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 2.25 2.31 0.00 113 N 7.86 4.94 0.00 2.67 2.79 0.00 0.00 6.91 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 0.00 114 V 7.59 3.79 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 0.73 0.00 0.00 1.01 0.00 0.00 115 N 9.17 4.64 0.00 2.77 2.72 0.00 0.00 6.47 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 0.00 116 K 8.36 5.35 0.00 1.55 1.65 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.41 7.81 117 L 8.29 4.89 0.00 1.65 1.36 0.93 0.33 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 0.00 118 L 8.86 5.20 0.00 1.94 1.78 1.35 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.46 5.27 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 0.77 0.00 0.00 0.79 0.00 0.00 120 G 8.53 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 0.00 0.00 0.00 121 N 8.79 4.95 0.00 2.73 2.75 0.00 0.00 7.08 6.05 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 0.00 122 K 8.81 4.10 0.00 2.01 1.90 0.00 2.22 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 123 C 8.54 4.26 0.00 3.00 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 0.00 124 D 8.01 4.39 0.00 2.82 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 0.00 125 L 7.65 4.64 0.00 1.78 1.68 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.60 3.96 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 0.00 127 T 7.91 4.00 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 1.22 0.00 0.00 128 K 7.94 4.27 0.00 2.02 1.85 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 129 K 7.44 4.36 0.00 1.90 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.60 7.81 130 V 8.39 4.16 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 0.86 0.00 0.00 1.09 0.00 0.00 131 V 7.90 3.84 2.18 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 0.13 0.00 0.00 1.04 0.00 0.00 132 D 8.43 4.41 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 4.25 0.00 3.31 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 0.00 134 T 8.20 4.08 4.32 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 1.40 0.00 0.00 135 T 7.63 4.04 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 1.18 0.00 0.00 136 A 7.58 3.80 0.74 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 0.00 137 K 7.67 3.31 0.00 1.28 1.71 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.46 7.81 138 E 8.07 3.89 0.00 2.21 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 0.00 2.32 2.47 0.00 139 F 7.98 4.32 0.00 3.21 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 0.00 140 A 8.01 3.69 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 0.00 141 D 8.30 4.36 0.00 2.94 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 0.00 142 S 7.75 4.08 0.00 4.03 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 0.00 143 L 7.54 4.25 0.00 1.48 1.56 0.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.39 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 0.00 145 I 8.03 4.62 1.87 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 1.22 0.55 0.96 0.00 0.00 146 P 0.00 4.61 0.00 2.11 2.17 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 147 F 8.60 5.56 0.00 2.90 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 0.00 148 L 8.47 4.46 0.00 1.44 1.27 0.83 0.44 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 0.00 149 E 8.38 4.92 0.00 1.78 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 2.31 2.22 0.00 150 T 8.51 4.86 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 1.07 0.00 0.00 151 S 8.86 4.50 0.00 3.80 3.65 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 0.00 152 A 8.54 3.91 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 0.00 153 K 7.56 2.48 0.00 1.28 1.58 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.28 7.81 154 N 7.96 4.31 0.00 2.68 2.79 0.00 0.00 7.17 6.92 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 0.00 155 A 7.72 3.57 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 0.00 156 T 8.00 4.43 4.19 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 1.17 0.00 0.00 157 N 8.96 4.30 0.00 3.01 2.84 0.00 0.00 6.77 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 0.00 158 V 7.60 3.58 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 1.32 0.00 0.00 1.03 0.00 0.00 159 E 8.18 4.27 0.00 2.24 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 2.57 2.83 0.00 160 Q 8.19 4.00 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 161 S 8.24 3.90 0.00 3.58 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 0.00 162 F 7.37 3.94 0.00 2.49 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 M 8.24 4.13 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.95 0.00 164 T 8.47 3.85 4.32 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 1.18 0.00 0.00 165 M 7.97 3.88 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 166 A 8.39 4.15 1.55 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 0.00 167 A 8.28 3.97 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.09 3.90 0.00 2.25 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 2.27 2.35 0.00 169 I 7.65 4.18 1.22 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 -0.16 0.00 0.00 170 K 8.11 3.87 0.00 1.86 1.87 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.38 7.81 171 K 7.63 4.08 0.00 2.01 2.00 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 172 R 7.55 4.03 0.00 1.85 1.93 0.00 3.14 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 173 M 7.40 4.22 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.