NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4166 8.3449 119.6907 55.4288 31.2657 175.4255 4 N 4.8894 7.9135 113.6842 51.5083 41.3488 173.8983 5 P 4.4458 0.0000 0.0000 64.7774 32.6937 177.3570 6 E 4.2859 7.9877 117.6526 58.0776 30.2893 177.6643 7 R 4.0242 7.8292 116.5443 58.1006 30.5613 178.1033 8 R 3.6286 7.4873 117.9436 59.4028 30.1021 177.7777 9 A 4.1988 7.3325 116.6987 53.5027 18.3485 177.8862 10 A 4.5294 7.5457 118.1213 52.3140 20.3786 178.7258 11 L 4.1455 8.3074 117.9941 56.9318 41.5792 179.3351 12 V 3.5257 7.8115 118.0608 66.2795 31.5527 177.7662 13 N 4.0647 8.1547 115.2797 56.0601 38.3857 177.1022 14 A 4.0307 7.7236 120.8891 54.9075 18.3247 179.6421 15 A 3.7916 7.9762 119.2265 55.2873 18.5434 179.6545 16 I 3.5930 8.5824 119.4234 64.7615 37.2101 178.3848 17 E 3.9389 8.5466 119.4493 59.5402 29.2399 179.7153 18 V 3.5927 7.7991 118.1452 65.7246 31.6028 178.0615 19 L 3.9311 8.6728 119.1983 57.8935 41.3297 179.3738 20 A 4.0288 7.8016 119.0853 55.0580 18.3236 179.4963 21 R 4.1162 7.8621 115.6203 58.5004 30.5122 177.8784 22 E 4.5276 8.2337 116.5772 57.3691 31.6449 174.8870 23 G 3.7113 7.8491 102.7455 43.2152 0.0000 174.4361 24 A 4.1943 9.1459 123.1054 56.0284 18.5058 180.9896 25 R 4.0435 8.0936 112.7628 59.1845 29.5840 179.9485 26 G 3.6469 7.5442 105.0334 47.3938 0.0000 173.4539 27 L 4.0053 7.5105 121.5241 54.8647 41.3594 176.0485 28 T 4.5697 7.8331 119.2183 59.2558 71.8746 174.0254 29 F 4.4963 8.4712 122.8357 60.6607 39.3452 177.8602 30 R 4.1145 8.1544 116.9764 59.4745 29.9285 178.9322 31 A 4.1075 7.9780 119.5297 54.7463 18.1686 179.6138 32 V 3.5806 7.4858 116.1618 65.9300 31.6894 177.7986 33 D 4.4683 8.1489 118.3453 57.3468 40.5425 178.4975 34 V 3.5560 7.7945 117.3669 66.1396 31.3832 176.7921 35 E 4.0525 7.8003 117.5737 57.8303 29.7011 176.7523 36 A 4.2241 7.9180 122.1975 52.1198 18.8778 177.9160 37 N 4.5005 8.5629 116.8123 54.7597 38.9055 176.7239 38 V 4.4460 6.9348 117.8163 59.5002 31.4354 174.0839 39 P 4.6641 0.0000 0.0000 63.8418 31.2235 178.3774 40 K 4.1065 7.7548 120.1277 55.3587 31.7187 180.0542 41 G 4.3777 7.8873 104.6066 45.9884 0.0000 174.6975 42 T 4.0264 8.3491 119.6051 66.1809 69.0939 176.6657 43 A 4.1276 8.7252 124.5680 55.4495 18.4038 179.4868 44 S 3.1647 7.9392 108.0946 60.4915 62.2761 174.3905 45 N 4.7474 8.0583 115.2414 53.2002 38.5797 174.6389 46 Y 4.0876 8.0843 115.8748 57.3680 39.9711 175.7697 47 F 5.0859 7.5755 116.5138 53.9635 41.9372 172.2657 48 P 4.4347 0.0000 0.0000 65.4865 31.4065 176.9454 49 S 5.0507 7.9287 110.3699 55.8841 67.3093 174.5794 50 R 3.4105 8.7365 121.5419 59.5290 29.7032 177.7474 51 D 4.4278 8.2211 117.3395 57.5969 40.8336 177.6626 52 D 4.5599 8.2274 118.2089 56.7564 41.3346 177.8040 53 L 3.3181 8.0759 121.3153 58.0346 42.0676 178.6810 54 F 3.9497 8.0543 117.5084 60.9921 38.7377 177.6432 55 D 4.5447 8.0864 119.3004 57.8278 40.3284 179.3006 56 Q 4.1196 7.6207 120.1959 60.3344 28.4431 181.0188 57 V 3.9898 7.7241 119.9237 65.8281 31.3383 177.8669 58 G 3.9393 8.4783 106.9079 48.6481 0.0000 175.7209 59 K 4.3562 8.1815 126.3737 58.7135 32.3895 181.1085 60 R 4.5917 7.7723 118.2918 59.7094 29.8297 183.2799 61 I 3.8595 7.7073 117.2185 65.1724 38.1327 176.9375 62 H 4.3471 8.3647 115.7494 57.4840 28.4518 176.4429 63 E 4.1897 8.0208 116.6772 57.6843 29.8592 182.2178 64 R 4.3140 8.0033 118.0887 56.9164 30.4367 176.2132 65 L 4.3900 7.1325 117.1293 53.0166 43.9524 179.6935 *81 N 4.7818 8.4769 111.0591 55.1977 40.8646 177.1414 82 L 4.0312 7.9080 119.3208 58.2723 42.1846 178.2974 83 E 4.0007 8.2777 118.1333 59.2796 29.3078 179.0473 84 L 4.0001 7.7646 119.5937 57.8148 42.1556 178.2433 85 A 4.1242 7.7066 119.4216 55.4854 18.3873 179.1944 86 I 3.8187 7.6275 116.4788 64.8544 37.6149 177.9932 87 E 4.4289 8.1647 121.0440 58.7240 29.3027 178.2922 88 Y 4.1219 8.1145 116.8449 58.5113 38.1310 177.2596 *90 Q 4.2433 8.1493 119.6354 55.4860 31.1264 177.9875 91 G 3.5293 8.0004 104.4704 47.6445 0.0000 175.2938 92 L 3.7542 7.8633 122.3869 58.0265 42.0387 178.7504 93 F 4.3550 8.1076 118.3545 60.6030 39.4453 177.0108 94 G 3.6144 7.7231 105.2300 47.4356 0.0000 175.6316 95 R 4.1676 8.0089 118.4185 56.6770 29.5960 177.9748 96 I 4.0488 7.2903 118.6576 63.6258 38.3255 176.8226 97 T 4.0340 7.6145 114.8672 66.3166 68.9221 176.0606 98 R 3.9748 8.0464 121.4178 59.6723 30.3533 177.5501 99 D 4.7694 7.7796 115.1452 54.3903 40.8965 178.2462 100 R 4.0395 7.5591 122.6847 60.4080 29.9492 178.4159 101 T 4.0039 7.9128 114.7405 66.4671 68.4754 176.9407 102 G 3.4398 7.8368 107.2419 47.9652 0.0000 175.2719 103 Y 4.2899 7.4822 119.1974 60.8110 37.8327 178.7161 104 L 4.0639 8.1566 119.8353 57.6512 41.7297 179.3378 105 A 4.0023 8.2126 120.8799 54.8446 18.1913 179.2216 106 L 3.9298 8.1234 119.0084 58.5726 42.2539 179.2796 107 Q 4.0174 8.0876 117.6818 59.1986 28.2888 178.7547 108 E 4.0363 8.3887 119.4988 59.3483 29.3673 179.5292 109 L 4.1138 8.3669 119.4601 57.8122 41.6105 179.5111 110 R 3.9359 8.2740 118.3069 59.5231 29.8347 179.1728 111 L 4.0837 7.5910 116.8427 57.7459 41.8358 178.9336 112 E 3.9135 8.3630 119.0180 58.9230 29.5099 178.6361 113 A 3.8938 8.1062 121.3505 55.0534 18.1604 179.5256 114 V 3.6116 7.2240 114.5294 65.8427 31.5392 177.6198 115 R 4.5764 7.9424 115.8764 55.3083 30.9952 176.3022 116 R 4.4503 7.1986 116.1764 53.1234 32.1637 174.4440 117 P 4.2827 0.0000 0.0000 65.1553 31.3675 178.4818 118 E 3.8959 8.0458 118.0015 59.1015 29.6741 178.2444 119 L 4.1563 7.8319 121.2459 57.6069 42.0516 178.6355 120 R 3.8596 8.0141 118.4447 59.7512 29.9616 178.5266 121 T 3.8557 8.0538 115.3803 66.9684 68.4867 176.7467 122 T 3.8374 7.7847 117.2686 66.6163 68.5329 176.5430 123 L 3.9721 8.5534 122.5149 58.4584 42.0152 178.9407 124 T 3.8813 8.2599 116.0314 66.7473 68.3303 176.7055 125 R 3.8812 7.9926 119.6482 59.5765 30.1654 178.9706 126 T 3.8409 7.7885 115.4229 66.9422 68.4193 176.7096 127 I 3.6480 7.8457 121.2763 64.4010 37.1125 178.5367 128 S 4.0532 8.2506 116.2857 61.7847 62.6141 176.8394 129 E 3.9332 8.5018 121.4269 59.3791 29.2258 178.8214 130 N 4.2615 8.1064 117.1442 56.6447 38.9293 176.6719 131 L 3.8328 8.1717 122.0311 57.7727 42.0572 178.5841 132 K 3.8225 8.3153 120.0695 59.8398 32.0891 178.9118 133 R 3.9802 8.2386 118.2430 59.4063 29.8938 178.8535 134 D 4.5266 8.2009 118.7811 57.2352 40.6993 178.9274 135 I 3.8431 8.1126 120.6450 64.2932 37.1883 178.4941 136 G 3.7201 8.4004 106.9397 47.8503 0.0000 175.0556 137 F 3.9633 8.8012 123.7142 61.2844 39.1521 176.5119 138 H 4.1276 8.4620 116.2473 59.5647 29.7805 176.8967 139 L 4.1043 8.0945 119.4730 57.7782 41.3558 178.8510 140 D 4.4433 8.1714 118.7324 56.4700 40.6260 178.8058 141 S 3.9215 7.5726 114.5378 59.3605 62.9601 175.6221 142 G 3.8882 7.3432 109.9026 44.9293 0.0000 173.7740 143 L 4.1099 7.6390 120.1193 53.7630 42.1632 175.3849 144 P 4.3765 0.0000 0.0000 63.0949 32.0435 174.9282 145 G 4.3247 8.1468 105.1339 43.4813 0.0000 173.0877 146 D 5.2427 8.5805 119.6212 51.7158 41.8850 176.6085 147 R 3.7933 8.7185 115.5988 60.1484 29.9065 178.6507 148 S 4.1573 8.1459 113.2143 61.9269 62.8285 176.3847 149 T 4.1131 8.0276 117.5369 66.9098 68.5077 176.3779 150 V 3.8559 7.3324 119.4913 65.5958 31.4382 178.2280 151 L 4.1656 7.8333 114.7459 55.8434 40.8654 178.6951 *153 L 4.2473 7.7757 120.8188 55.0865 43.6445 177.7603 154 Y 4.2528 8.5380 118.8711 60.7625 39.2161 177.3383 155 L 3.8397 8.6369 119.7851 57.9571 41.9174 180.6466 156 A 3.7946 7.8310 118.1028 52.8975 17.9820 178.7758 *158 N 4.4190 8.3473 118.1707 54.7522 40.6125 177.0225 159 A 3.9531 7.7724 119.7453 54.6808 18.3709 179.3217 160 L 3.7985 8.1596 119.3775 58.3916 42.1359 179.3731 161 I 3.7075 7.5629 119.0555 64.3976 37.0691 178.4197 162 V 3.5426 7.6097 119.0479 65.8118 31.2430 177.5383 163 E 3.8813 8.3554 119.2049 59.6507 29.2963 178.1534 164 H 4.0595 7.9972 116.6841 59.5053 30.0005 176.8660 165 L 4.1701 7.9515 119.5118 56.8024 41.5198 178.6586 166 T 4.4152 7.8257 108.5579 62.4534 71.3298 175.5751 167 L 4.7342 7.8076 123.7727 50.6643 41.7877 175.2391 168 P 4.3280 0.0000 0.0000 65.5720 31.2714 178.7141 169 G 3.6515 8.0905 104.7675 47.2743 0.0000 175.5668 170 V 3.6612 7.7441 120.0146 65.0889 31.8574 176.9739 171 L 4.5228 7.4992 116.5812 54.0482 41.6919 177.5405 172 E 3.8836 7.6063 121.4249 59.4005 29.5013 177.9827 173 G 3.9136 8.0195 103.8169 45.4356 0.0000 172.7739 174 V 4.1482 7.8016 120.6280 61.2269 32.6891 176.7661 175 D 4.6379 8.3536 126.9657 53.7802 39.5746 176.3873 176 T 3.7588 8.0555 116.2381 63.7880 69.3079 176.1918 177 E 3.9085 8.0512 122.2806 59.1542 29.7183 178.4762 178 R 3.9220 7.9381 118.7052 58.9502 30.0326 178.1305 179 L 3.8611 8.1003 120.5873 58.2335 42.1024 179.2242 180 V 3.4540 7.7037 117.8840 65.7263 31.4249 177.7618 181 A 3.9855 7.8337 120.0944 55.4164 18.2635 179.3800 182 D 4.3173 8.4290 117.7671 57.1861 40.8196 178.8436 183 L 3.8904 8.1806 121.1783 58.1351 42.2014 179.1909 184 V 3.5857 7.8442 118.0816 66.4718 31.2990 178.0968 185 T 3.9087 7.7470 114.0246 66.7217 68.4616 176.5140 186 R 4.1253 8.2882 119.7191 58.6781 29.9386 178.8709 187 A 4.0920 7.8416 120.1019 55.3226 18.3480 179.9655 188 V 3.7098 7.8919 110.2660 63.0299 31.6499 176.7796 189 A 4.2028 6.9957 120.2391 52.4755 19.2872 177.3943 190 T 4.7113 7.9773 108.7592 59.7668 68.6432 172.1813 191 P 4.4499 0.0000 0.0000 62.9447 32.7382 176.4256 192 D 4.3946 8.5083 119.9020 54.3067 41.2845 176.5517 193 A 4.2676 8.5488 126.0652 52.3172 19.0047 176.6265 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 3 Q 8.34 4.42 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 4 N 7.91 4.89 0.00 2.80 2.83 0.00 0.00 6.89 7.15 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 5 P 0.00 4.45 0.00 2.28 2.32 0.00 3.78 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 2.08 2.06 0.00 6 E 7.99 4.29 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 2.33 2.29 0.00 7 R 7.83 4.02 0.00 1.85 1.91 0.00 3.19 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 8 R 7.49 3.63 0.00 2.16 2.03 0.00 3.30 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 9 A 7.33 4.20 1.37 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 10 A 7.55 4.53 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 11 L 8.31 4.15 0.00 1.93 1.86 0.47 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.81 3.53 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 1.05 0.00 0.00 0.99 0.00 0.00 13 N 8.15 4.06 0.00 2.83 2.82 0.00 0.00 6.94 7.55 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 14 A 7.72 4.03 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 15 A 7.98 3.79 1.20 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 0.00 0.00 16 I 8.58 3.59 1.83 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 1.47 0.99 0.87 0.00 0.00 17 E 8.55 3.94 0.00 2.10 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 2.45 2.44 0.00 18 V 7.80 3.59 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 1.07 0.00 0.00 1.02 0.00 0.00 19 L 8.67 3.93 0.00 1.88 1.70 0.86 0.99 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 20 A 7.80 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 21 R 7.86 4.12 0.00 1.80 1.98 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 22 E 8.23 4.53 0.00 2.01 1.96 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 2.23 2.42 0.00 23 G 7.85 3.71 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 0.00 0.00 0.00 24 A 9.15 4.19 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 R 8.09 4.04 0.00 1.84 1.87 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 26 G 7.54 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 0.00 0.00 0.00 27 L 7.51 4.01 0.00 1.67 1.68 0.74 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.83 4.57 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 1.28 0.00 0.00 29 F 8.47 4.50 0.00 3.13 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 30 R 8.15 4.11 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 31 A 7.98 4.11 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 32 V 7.49 3.58 2.32 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 0.90 0.00 0.00 0.94 0.00 0.00 33 D 8.15 4.47 0.00 3.00 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 34 V 7.79 3.56 2.24 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 0.76 0.00 0.00 0.97 0.00 0.00 35 E 7.80 4.05 0.00 1.89 1.94 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 2.51 2.28 0.00 36 A 7.92 4.22 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 37 N 8.56 4.50 0.00 2.67 2.86 0.00 0.00 6.71 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 38 V 6.93 4.45 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 0.67 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.66 0.00 2.07 2.24 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 40 K 7.75 4.11 0.00 1.77 1.51 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.00 7.81 41 G 7.89 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 0.00 0.00 0.00 0.00 42 T 8.35 4.03 4.26 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 1.33 0.00 0.00 43 A 8.73 4.13 1.58 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 44 S 7.94 3.16 0.00 3.51 3.71 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 45 N 8.06 4.75 0.00 2.63 2.64 0.00 0.00 6.78 7.06 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 46 Y 8.08 4.09 0.00 2.50 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 0.00 0.00 0.00 47 F 7.58 5.09 0.00 3.32 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 48 P 0.00 4.43 0.00 2.15 2.21 0.00 4.19 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 49 S 7.93 5.05 0.00 4.13 4.05 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 50 R 8.74 3.41 0.00 1.71 1.98 0.00 3.07 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.21 0.00 51 D 8.22 4.43 0.00 2.88 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 52 D 8.23 4.56 0.00 2.99 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 53 L 8.08 3.32 0.00 1.60 1.49 0.18 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.05 3.95 0.00 3.08 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 55 D 8.09 4.54 0.00 3.12 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 56 Q 7.62 4.12 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 57 V 7.72 3.99 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 0.95 0.00 0.00 0.74 0.00 0.00 58 G 8.48 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 0.00 0.00 0.00 0.00 59 K 8.18 4.36 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.31 7.81 60 R 7.77 4.59 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 61 I 7.71 3.86 2.05 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 1.45 1.04 1.01 0.00 0.00 62 H 8.36 4.35 0.00 3.15 3.37 0.00 5.94 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.02 4.19 0.00 2.02 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 2.24 2.11 0.00 64 R 8.00 4.31 0.00 1.71 1.84 0.00 3.14 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 65 L 7.13 4.39 0.00 1.68 1.45 0.92 0.93 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 *81 N 8.48 4.78 0.00 2.74 2.89 0.00 0.00 6.57 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 82 L 7.91 4.03 0.00 1.82 1.67 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.28 4.00 0.00 2.07 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 2.40 0.00 84 L 7.76 4.00 0.00 1.79 1.76 0.96 0.99 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 85 A 7.71 4.12 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 86 I 7.63 3.82 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.93 0.00 0.00 87 E 8.16 4.43 0.00 2.20 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 0.00 2.36 2.22 0.00 88 Y 8.11 4.12 0.00 3.17 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 *90 Q 8.15 4.24 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 91 G 8.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.75 0.00 1.03 1.46 0.86 0.92 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 93 F 8.11 4.35 0.00 2.91 3.12 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 0.00 0.00 0.00 94 G 7.72 3.61 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 0.00 0.00 0.00 95 R 8.01 4.17 0.00 1.97 1.99 0.00 3.08 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 1.79 1.61 0.00 96 I 7.29 4.05 1.52 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.40 0.00 0.00 97 T 7.61 4.03 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 1.19 0.00 0.00 98 R 8.05 3.97 0.00 1.81 1.89 0.00 3.15 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.09 4.02 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 108 E 8.39 4.04 0.00 2.18 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 2.53 2.72 0.00 109 L 8.37 4.11 0.00 1.88 1.77 0.97 0.99 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 0.00 110 R 8.27 3.94 0.00 2.05 2.01 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 111 L 7.59 4.08 0.00 1.65 1.71 0.92 0.70 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 0.00 112 E 8.36 3.91 0.00 2.07 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 1.47 1.85 0.00 113 A 8.11 3.89 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 0.00 114 V 7.22 3.61 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 0.85 0.00 0.00 0.92 0.00 0.00 115 R 7.94 4.58 0.00 1.81 1.87 0.00 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8.17 4.44 0.00 2.67 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 0.00 141 S 7.57 3.92 0.00 3.75 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 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 0.00 0.00 0.00 143 L 7.64 4.11 0.00 1.38 1.61 1.03 0.97 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 0.00 144 P 0.00 4.38 0.00 2.20 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 145 G 8.15 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 0.00 0.00 0.00 0.00 146 D 8.58 5.24 0.00 2.88 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 0.00 147 R 8.72 3.79 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 148 S 8.15 4.16 0.00 4.17 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 0.00 149 T 8.03 4.11 4.36 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 1.18 0.00 0.00 150 V 7.33 3.86 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 0.92 0.00 0.00 151 L 7.83 4.17 0.00 1.77 1.71 0.92 0.40 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 *153 L 7.78 4.25 0.00 1.75 1.81 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.54 4.25 0.00 2.92 3.27 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 0.00 155 L 8.64 3.84 0.00 1.75 1.68 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.83 3.79 1.23 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 0.00 0.00 *158 N 8.35 4.42 0.00 2.72 2.70 0.00 0.00 6.92 7.78 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 0.00 159 A 7.77 3.95 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 0.00 160 L 8.16 3.80 0.00 1.68 1.53 0.65 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.56 3.71 1.73 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.06 0.00 0.00 162 V 7.61 3.54 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 0.98 0.00 0.00 0.94 0.00 0.00 163 E 8.36 3.88 0.00 2.23 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 2.30 2.37 0.00 164 H 8.00 4.06 0.00 3.52 3.52 0.00 5.80 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 0.00 165 L 7.95 4.17 0.00 1.68 1.72 0.98 0.81 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 0.00 166 T 7.83 4.42 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 1.24 0.00 0.00 167 L 7.81 4.73 0.00 1.65 1.58 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.33 0.00 2.17 2.25 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 169 G 8.09 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 0.00 0.00 0.00 170 V 7.74 3.66 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 0.86 0.00 0.00 0.96 0.00 0.00 171 L 7.50 4.52 0.00 1.73 1.68 1.02 0.70 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 0.00 172 E 7.61 3.88 0.00 1.97 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 2.34 2.29 0.00 173 G 8.02 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 0.00 174 V 7.80 4.15 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 0.73 0.00 0.00 0.91 0.00 0.00 175 D 8.35 4.64 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 T 8.06 3.76 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 1.18 0.00 0.00 177 E 8.05 3.91 0.00 2.07 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 2.38 2.38 0.00 178 R 7.94 3.92 0.00 1.90 2.13 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 179 L 8.10 3.86 0.00 1.78 1.69 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.70 3.45 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 0.92 0.00 0.00 0.70 0.00 0.00 181 A 7.83 3.99 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 0.00 182 D 8.43 4.32 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 0.00 183 L 8.18 3.89 0.00 1.80 1.89 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.84 3.59 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 1.03 0.00 0.00 0.98 0.00 0.00 185 T 7.75 3.91 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 1.22 0.00 0.00 186 R 8.29 4.13 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 187 A 7.84 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.89 3.71 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 1.01 0.00 0.00 189 A 7.00 4.20 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 0.00 190 T 7.98 4.71 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 1.34 0.00 0.00 191 P 0.00 4.45 0.00 2.20 2.10 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 192 D 8.51 4.39 0.00 2.69 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 0.00 193 A 8.55 4.27 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.