NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1343 8.3645 123.5828 53.2662 20.2980 177.2194 *3 F 3.7220 8.6985 119.1701 57.3730 35.3810 173.0618 4 D 4.5216 8.7819 125.7992 54.6929 43.2532 177.0624 5 T 4.8575 8.1776 120.2151 61.9802 71.0194 173.1890 6 Y 5.4177 9.1851 123.5218 56.3657 42.3858 174.5069 7 I 5.3142 9.1199 120.8645 59.5562 42.1407 173.4659 8 K 4.2068 8.7077 130.1590 54.2128 34.5433 174.5841 9 L 4.9044 7.8491 125.6492 52.4882 45.1932 175.9319 10 D 4.2543 8.1430 120.7359 54.3764 41.0769 177.0052 11 K 3.8416 8.5717 124.8785 57.0569 29.3903 178.0847 12 V 4.4895 7.1072 116.0199 61.3733 32.5429 171.5434 13 D 4.4467 8.2255 121.3228 54.1508 41.9530 176.5977 14 G 4.1902 8.7867 118.9527 46.3968 0.0000 173.3731 15 E 4.8462 8.9232 122.8175 55.4656 31.4969 176.6457 16 S 4.5173 9.1267 114.5765 60.0106 63.3020 174.7112 17 T 4.5462 8.4364 115.5053 63.6220 71.3679 174.9268 18 D 4.4714 8.0956 120.3596 53.1796 39.8726 176.4830 19 D 4.2856 8.8341 124.2126 58.6809 40.8577 179.5104 20 K 4.0141 7.7714 117.6345 56.3753 32.5953 178.5339 21 H 3.9081 7.6928 114.4527 54.9749 29.1009 173.9589 22 K 4.1712 7.8339 118.5680 57.4693 32.9826 178.0766 23 K 3.9545 8.9325 121.2166 56.7016 30.6646 175.5011 24 W 4.5745 8.0546 119.7314 56.8217 30.8881 174.9206 25 I 4.6004 8.4237 122.1486 60.2971 37.9904 175.5059 26 E 4.6864 9.0567 127.8979 56.2024 29.9377 176.7192 27 V 4.2708 8.5001 124.1148 60.1390 33.9918 175.2116 28 L 4.1318 8.9976 123.6118 55.8939 41.3697 176.8644 29 G 4.2054 7.7603 104.8760 44.6908 0.0000 171.6979 30 F 4.8579 8.3185 113.5884 56.8747 40.2383 173.4997 31 A 3.4758 7.0410 125.8976 51.4361 17.8101 175.2394 32 W 5.1882 8.5931 129.6863 57.0386 33.6077 173.4871 33 G 3.7015 6.8909 110.3045 45.2631 0.0000 171.7983 34 A 4.4438 7.2932 121.6598 49.6080 22.5151 175.6973 35 G 4.0552 7.6879 111.6600 45.4193 0.0000 171.7569 36 N 4.8662 7.9298 118.3907 51.1541 40.2545 174.8713 37 E 4.3161 7.8168 115.9403 55.3070 28.4645 176.5881 38 C 4.6032 7.6166 118.1684 59.5743 33.0368 172.5005 39 T 4.5459 7.9341 135.0000 63.9042 66.0268 176.6079 *41 E 4.1134 8.3124 127.5389 52.8891 32.1881 175.0038 42 S 3.8481 8.0364 115.5761 58.5476 60.0059 174.1492 43 G 4.0849 7.7673 115.6447 46.8460 0.0000 174.4602 44 T 4.5916 7.8249 111.5167 59.0210 70.6060 179.1597 45 Q 4.0535 8.7721 126.5498 58.7491 29.3417 176.7905 46 G 3.9308 7.6872 104.2855 44.8062 0.0000 173.4975 47 L 3.9272 8.4563 120.9559 58.6370 42.0223 177.1200 48 N 4.2495 8.0310 113.8278 52.9327 33.4934 175.8547 49 T 4.0548 7.8726 116.6251 62.6073 69.3185 176.2880 50 G 3.6792 7.5761 108.8438 46.7595 0.0000 174.8997 51 K 4.4357 8.7357 125.0402 54.3792 33.6895 175.4003 52 A 4.1148 8.1620 126.3616 50.8965 20.0712 176.7153 *55 S 4.2097 8.0637 113.2268 57.7647 63.9428 173.8736 56 V 4.2032 8.1835 120.9090 63.2735 32.4864 174.5146 57 L 4.9241 8.6143 126.2828 53.8788 43.5250 175.3906 58 R 5.0582 8.8428 125.5540 54.7705 31.8993 175.1488 59 V 4.4877 9.1240 125.3312 61.9870 33.6831 174.7782 60 T 5.1062 8.2007 123.0477 61.7785 71.8627 173.1545 61 K 4.0467 8.1507 122.8922 57.4734 36.4601 176.9851 62 W 4.9357 9.0000 124.2708 57.8300 27.9751 178.3172 *64 D 4.6799 8.9578 129.7465 54.3196 40.0013 176.7655 65 C 4.2939 8.6316 111.7613 59.5931 30.4419 174.3813 66 A 4.3547 8.4658 123.6367 53.9740 19.0438 179.1174 67 S 4.1370 7.5917 111.5484 62.4132 62.7570 176.8902 68 V 3.3933 7.8327 119.7001 66.3557 31.2850 178.4283 69 K 4.0569 7.9832 117.4839 59.2852 32.0002 179.2641 70 L 4.0620 8.3260 119.6764 57.5161 41.2443 179.2879 71 A 3.2200 8.2958 121.5882 55.1641 18.3558 179.9334 72 S 3.8983 8.3227 113.7747 61.4300 62.9641 176.5461 73 A 4.0400 8.5299 123.7764 56.1308 18.1519 178.6461 74 A 3.9727 8.0618 116.9606 56.9068 18.0939 179.5628 75 V 3.7499 7.6815 112.1232 62.7632 32.1408 177.2819 76 Q 4.2280 7.8622 119.8087 55.1961 29.4465 175.2652 77 G 3.9817 7.9274 105.2291 46.6817 0.0000 173.6941 78 Q 3.9398 7.9081 120.2693 55.6054 29.5706 174.6904 79 N 4.9830 8.4777 123.0234 52.5936 39.6102 174.4365 80 F 4.8516 9.5106 122.8779 55.3308 41.6864 175.2163 81 P 4.3531 0.0000 0.0000 65.7348 31.4732 176.7384 82 T 5.0534 7.9683 115.2809 62.3556 73.6266 172.6391 83 L 4.9169 9.0373 128.7622 53.1935 44.9714 174.6090 84 E 4.9999 8.7030 126.1012 54.6902 31.7178 174.7509 85 L 5.0544 8.6367 127.3403 53.8636 44.7249 175.1918 86 E 4.9298 9.1712 126.0531 55.3201 33.2960 173.4591 87 I 4.7143 8.0703 127.9953 59.7175 39.5078 174.5775 88 C 5.3790 8.9573 124.8252 57.5894 31.8930 173.7459 89 T 4.0090 8.7650 116.4336 62.6533 68.9281 176.0973 *90 Q 3.9297 8.9346 123.6294 57.8611 29.1866 174.2231 91 A 4.6906 7.6881 123.6992 51.6991 22.4252 178.2760 92 G 4.1221 9.4283 110.7890 47.1441 0.0000 175.0150 *93 D 4.7863 9.2241 121.1414 53.2942 41.9237 178.2227 94 K 4.6782 8.2965 117.8569 54.9519 29.8336 177.9116 95 F 4.8081 7.5559 112.6237 56.8948 39.8844 174.5709 96 A 5.2538 8.8379 121.6093 50.4247 19.3226 177.5542 97 F 4.5858 8.1562 116.7966 58.0238 39.8632 175.0500 98 C 4.8704 7.1602 120.9960 58.7923 34.9502 172.5203 99 I 4.6619 8.5979 128.2760 59.9342 38.9062 174.8067 100 Y 4.8070 8.7910 125.5590 55.9257 40.4353 175.6641 101 K 4.6406 7.8093 120.8199 55.3300 36.3209 175.0979 102 F 5.3303 9.6723 124.6077 56.0374 42.2297 175.0711 103 T 4.9197 8.6315 117.6359 62.5188 72.1436 173.2791 104 H 4.3697 8.7937 122.5133 56.4419 25.9576 174.3076 105 V 4.8177 8.2861 120.3808 61.9414 34.0983 175.4098 106 A 5.4397 9.4862 126.8229 50.2576 23.2100 175.2830 107 V 4.2329 8.6441 119.9924 62.2166 31.4733 175.9414 108 S 4.6740 9.1281 124.4612 60.1908 64.2262 174.5742 109 S 4.7250 7.5574 113.1594 57.3324 65.9327 172.9292 110 Y 4.9495 8.5589 122.3468 56.0232 41.5144 174.2819 111 Q 4.6635 8.0378 124.1423 54.1822 32.8852 173.9502 112 C 5.0439 8.1105 120.7172 57.9999 35.3300 173.0412 113 S 4.6350 8.0427 113.6786 57.6788 66.3143 175.0769 114 G 4.3315 8.6810 108.3864 44.4657 0.0000 171.9346 115 A 4.0838 9.1878 132.0354 56.4124 18.5611 178.0155 *116 T 3.8890 8.6106 110.0736 60.6092 65.6420 175.4801 117 G 4.3583 7.1940 107.7666 43.3015 0.0000 171.8762 118 G 3.8151 8.2789 120.9871 46.0595 0.0000 173.2447 119 S 4.1217 9.2641 111.7282 58.2458 64.3719 174.5531 120 D 4.2649 8.2496 124.2139 54.8504 42.0415 172.4928 *121 R 3.9127 8.2714 129.7702 54.6048 28.9088 175.5572 122 P 4.6987 0.0000 0.0000 61.9349 33.3311 174.8315 123 Q 5.2289 9.2073 121.4731 54.4678 32.3269 173.7263 124 E 4.9322 9.2626 123.8880 54.7497 33.4039 174.8365 125 T 4.8802 8.0315 116.9652 61.9141 71.8613 172.9103 126 I 4.7016 8.7059 127.6023 59.4120 40.5110 174.2358 127 D 5.1446 8.4694 126.4761 52.7127 43.0421 175.3659 128 F 5.3448 8.9978 123.0843 55.7693 40.6653 175.2319 129 A 4.8462 8.8653 126.8662 52.1035 20.1468 175.6549 130 Y 5.3014 7.9846 116.4445 56.8124 40.9414 173.8817 131 K 4.6271 9.2781 115.9140 57.6446 35.4605 176.2610 132 E 5.5354 8.4947 117.1000 55.1737 34.7763 174.7106 133 V 5.1187 7.9556 118.3107 62.7736 35.3825 171.6136 134 T 3.8160 7.2674 116.5540 61.9534 72.3765 173.7766 135 W 3.6020 8.4905 126.3771 54.4037 28.9134 173.0816 136 E 3.6354 8.2581 124.7064 56.4359 29.1382 173.0629 137 Y 5.2985 8.0999 123.4105 55.7739 42.9960 174.2469 138 V 4.5976 7.6040 123.9060 60.1928 34.3070 173.4313 139 P 4.6511 0.0000 0.0000 62.9963 32.6953 174.6103 140 Q 4.6757 8.5287 122.1499 54.7678 32.6177 174.4524 141 D 4.7315 9.7883 129.4186 53.6666 40.2570 175.0029 *142 Q 4.2458 9.0845 126.0752 57.9086 28.0767 175.1233 *143 N 4.7298 8.0896 110.9425 53.0511 37.4761 179.6632 144 G 4.3656 8.8063 116.0765 47.3295 0.0000 175.7289 *145 K 4.1492 7.6181 120.3688 53.5741 32.4979 177.3151 146 A 4.3892 7.8209 119.1982 52.7470 20.1729 175.5347 147 G 4.1436 7.8161 104.9101 44.6523 0.0000 173.0038 148 G 3.9154 8.6925 106.4185 46.2348 0.0000 173.6352 149 K 4.4406 8.5063 123.8811 55.9525 33.1552 176.5227 150 I 4.0907 10.0070 128.6435 61.1839 38.1424 176.6217 151 G 4.0282 7.8746 113.9219 44.5174 0.0000 171.3937 152 P 4.1880 0.0000 0.0000 62.9854 31.0477 175.2165 153 E 4.6119 8.2353 121.8070 53.9066 33.6655 174.8690 154 G 2.6758 7.3673 104.6348 47.1047 0.0000 171.8731 155 W 4.5287 7.1281 128.0725 57.0161 34.4734 174.1340 156 S 4.7292 7.0848 116.2780 56.5644 64.3224 174.5642 157 L 4.5882 8.7895 126.4644 55.7006 41.8276 177.7287 158 I 4.1084 7.6932 119.7652 62.7475 37.6232 176.7695 159 T 4.2709 7.6742 114.6753 62.4646 70.4951 173.7142 160 N 4.1560 8.0238 117.3660 54.5172 36.7327 172.9430 161 K 3.9844 6.4981 117.4976 54.4062 36.3220 176.8388 162 K 4.6247 8.2343 124.1264 54.6019 32.6771 175.6752 163 K 4.1985 8.4712 117.0219 56.4808 31.4486 172.8142 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 8.36 4.13 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 *3 F 8.70 3.72 0.00 2.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.78 4.52 0.00 2.48 2.30 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 5 T 8.18 4.86 4.38 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 1.20 0.00 0.00 6 Y 9.19 5.42 0.00 2.70 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 7 I 9.12 5.31 1.92 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.46 0.90 0.00 0.00 8 K 8.71 4.21 0.00 0.79 0.74 0.00 0.83 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.85 0.74 7.81 9 L 7.85 4.90 0.00 1.31 1.31 0.70 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.14 4.25 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.57 3.84 0.00 1.94 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 V 7.11 4.49 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 0.79 0.00 0.00 1.19 0.00 0.00 13 D 8.23 4.45 0.00 2.73 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 14 G 8.79 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 0.00 0.00 0.00 0.00 15 E 8.92 4.85 0.00 2.03 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 2.24 2.33 0.00 16 S 9.13 4.52 0.00 4.24 4.22 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 17 T 8.44 4.55 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 1.24 0.00 0.00 18 D 8.10 4.47 0.00 2.87 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 19 D 8.83 4.29 0.00 2.63 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 20 K 7.77 4.01 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.03 7.81 21 H 7.69 3.91 0.00 2.28 2.04 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.83 4.17 0.00 1.81 1.81 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 K 8.93 3.95 0.00 2.05 1.97 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 24 W 8.05 4.57 0.00 3.42 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 25 I 8.42 4.60 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 1.00 0.00 0.00 26 E 9.06 4.69 0.00 1.97 1.93 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 2.54 2.52 0.00 27 V 8.50 4.27 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 0.79 0.00 0.00 1.03 0.00 0.00 28 L 9.00 4.13 0.00 1.30 1.48 0.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.76 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 0.00 0.00 0.00 30 F 8.32 4.86 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.04 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.59 5.19 0.00 3.32 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 6.89 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.29 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.69 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.93 4.87 0.00 3.02 2.74 0.00 0.00 6.00 7.66 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 37 E 7.82 4.32 0.00 2.05 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 2.44 2.36 0.00 38 C 7.62 4.60 0.00 3.33 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 39 T 7.93 4.55 4.28 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 1.22 0.00 0.00 *41 E 8.31 4.11 0.00 2.01 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 2.13 1.88 0.00 42 S 8.04 3.85 0.00 3.78 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 43 G 7.77 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.82 4.59 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 45 Q 8.77 4.05 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 G 7.69 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 0.00 0.00 0.00 47 L 8.46 3.93 0.00 1.65 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.03 4.25 0.00 2.93 2.84 0.00 0.00 6.60 7.71 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 49 T 7.87 4.05 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 1.23 0.00 0.00 50 G 7.58 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.74 4.44 0.00 1.77 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.54 7.81 52 A 8.16 4.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.21 0.00 3.95 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 56 V 8.18 4.20 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 0.91 0.00 0.00 0.99 0.00 0.00 57 L 8.61 4.92 0.00 1.70 1.37 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.84 5.06 0.00 1.93 1.83 0.00 3.15 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.83 3.39 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 1.13 0.00 0.00 0.93 0.00 0.00 69 K 7.98 4.06 0.00 1.95 1.92 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.51 7.81 70 L 8.33 4.06 0.00 1.89 1.84 1.07 0.92 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 71 A 8.30 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.32 3.90 0.00 3.85 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 73 A 8.53 4.04 1.62 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 74 A 8.06 3.97 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 75 V 7.68 3.75 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 0.66 0.00 0.00 0.98 0.00 0.00 76 Q 7.86 4.23 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 77 G 7.93 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 78 Q 7.91 3.94 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.70 0.00 0.00 0.00 0.00 0.00 1.57 2.05 0.00 79 N 8.48 4.98 0.00 2.57 2.76 0.00 0.00 6.97 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.51 4.85 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.35 0.00 2.17 2.08 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 82 T 7.97 5.05 4.43 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 1.18 0.00 0.00 83 L 9.04 4.92 0.00 1.42 1.37 0.32 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.70 5.00 0.00 1.85 1.99 0.00 0.00 0.00 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7.27 3.82 3.94 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 0.89 0.00 0.00 135 W 8.49 3.60 0.00 2.93 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 0.00 136 E 8.26 3.64 0.00 2.29 1.90 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 2.22 2.12 0.00 137 Y 8.10 5.30 0.00 2.88 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 0.00 138 V 7.60 4.60 2.15 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 0.88 0.00 0.00 0.91 0.00 0.00 139 P 0.00 4.65 0.00 2.22 2.37 0.00 3.81 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 2.13 2.05 0.00 140 Q 8.53 4.68 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.13 0.00 0.00 0.00 0.00 0.00 2.54 2.79 0.00 141 D 9.79 4.73 0.00 2.59 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 *142 Q 9.08 4.25 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.56 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 *143 N 8.09 4.73 0.00 2.74 2.71 0.00 0.00 6.88 7.51 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 0.00 144 G 8.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 4.15 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 146 A 7.82 4.39 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.69 3.92 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 0.00 0.00 0.00 149 K 8.51 4.44 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.58 7.81 150 I 10.01 4.09 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 1.01 0.00 0.00 151 G 7.87 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 0.00 152 P 0.00 4.19 0.00 2.08 2.23 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 153 E 8.24 4.61 0.00 2.04 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 0.00 2.30 2.25 0.00 154 G 7.37 2.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 W 7.13 4.53 0.00 3.59 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 0.00 156 S 7.08 4.73 0.00 3.87 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 0.00 157 L 8.79 4.59 0.00 1.86 1.78 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.69 4.11 1.85 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 1.31 0.51 0.89 0.00 0.00 159 T 7.67 4.27 4.02 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 1.09 0.00 0.00 160 N 8.02 4.16 0.00 2.88 3.10 0.00 0.00 6.78 7.58 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 0.00 161 K 6.50 3.98 0.00 1.39 1.41 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.18 7.81 162 K 8.23 4.62 0.00 1.78 1.62 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 163 K 8.47 4.20 0.00 1.84 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.