NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 E 4.1634 8.5445 116.7535 55.7054 31.8938 176.1530 *2 V 3.8147 8.0169 116.8585 60.4429 33.5770 174.3770 *3 Q 4.2136 8.5058 120.8071 55.3936 30.8680 175.3155 *4 L 4.2136 8.1792 120.8462 54.7511 42.9307 177.6721 *5 V 3.9936 8.0492 118.6872 61.3000 33.5446 175.9786 *6 Q 4.2136 8.3392 121.0617 55.5362 29.9370 175.8435 *7 S 4.3713 8.2759 114.8731 57.8426 64.3094 173.8616 *8 G 3.8272 8.2959 109.8772 45.3270 0.0000 174.1616 *9 G 3.7355 8.2959 109.2314 45.3270 0.0000 174.1281 *10 G 3.7078 8.3492 111.5373 46.0690 0.0000 174.9385 *11 V 3.9019 8.0492 119.7093 61.2696 33.6247 176.3385 *12 V 3.9936 8.0492 119.8512 61.3000 33.4484 175.9786 *13 Q 4.2136 8.3392 121.0617 54.9547 29.9370 173.9159 *14 P 4.3213 0.0000 0.0000 61.7956 32.7821 176.5616 *15 G 3.7995 8.3492 110.1464 46.0593 0.0000 174.7765 *16 R 4.1219 8.2492 120.8738 56.7434 31.4012 176.1099 *17 S 4.3436 8.3292 117.1486 58.4875 64.2683 174.2508 *18 L 4.2136 8.1792 123.2132 54.7415 42.6345 177.4765 *19 R 4.2136 8.2492 119.8517 56.6009 31.3211 175.9508 *20 L 4.2136 8.1792 120.8159 54.7966 42.8896 177.4435 *21 S 4.3436 8.3292 117.8780 58.7177 64.2089 174.7663 *22 C 4.5836 8.4492 119.8703 55.5148 41.7051 174.4435 *23 S 4.3436 8.3292 118.8883 58.6301 63.8562 174.4435 *24 S 4.3436 8.3292 119.5459 58.6301 64.0132 174.4435 *25 S 4.3713 8.2759 117.2401 57.8426 64.0132 173.8616 *26 G 3.7995 8.3492 112.1831 46.0286 0.0000 174.5724 *27 F 4.4019 8.3192 120.8086 57.1457 40.0007 175.4904 *28 I 4.0436 8.0192 121.2861 60.3283 37.2504 176.0724 *29 F 4.4936 8.3192 121.4869 57.2029 39.8122 175.6435 *30 S 4.3436 8.3292 119.8357 58.6301 64.0693 174.4435 *31 S 4.3436 8.3292 119.5459 58.7373 64.0132 173.8690 *32 Y 4.4008 8.0376 118.9146 56.5297 38.5932 174.7736 *33 A 4.1825 8.2592 125.5214 52.8833 20.2608 177.3705 *34 M 4.2883 8.2992 118.3316 55.1576 33.4265 175.6711 *35 Y 4.4236 8.1392 120.0351 57.0092 39.0254 175.5994 *36 W 4.5336 8.2692 123.2689 56.7105 30.3730 176.1721 *37 V 3.9936 8.0492 118.4559 61.2599 33.0455 176.1765 *38 R 4.2136 8.2492 121.0158 56.7284 31.2248 175.9786 *39 Q 4.1908 8.2376 116.4835 54.7441 30.0926 174.8736 *40 A 4.1825 8.2592 123.6618 52.1509 20.1924 175.7159 *41 P 4.2560 0.0000 0.0000 61.7956 32.8174 176.6637 *42 G 3.7995 8.3492 110.1464 45.9329 0.0000 174.7101 *43 K 4.1296 8.2559 121.6355 54.3189 33.7069 175.8281 *44 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *45 L 4.1219 8.1792 122.5674 54.7188 42.9104 177.0751 *46 E 4.2236 8.4392 117.5323 56.1273 31.6411 176.2994 *47 W 4.5336 8.2692 122.2850 56.7105 30.3296 176.1721 *48 V 3.9708 7.9476 115.7712 60.5230 33.0455 175.1736 *49 A 4.1825 8.2592 125.5250 52.6752 19.9957 177.5239 *50 I 3.9783 8.0192 118.0879 60.3569 37.5258 176.2260 *51 I 4.0436 8.0192 121.0288 60.1016 37.2817 176.0994 *52 W 4.5336 8.2692 123.8088 56.7394 30.0958 175.4930 *53 D 4.5136 8.3592 120.1022 53.7277 41.2299 175.6930 *54 D 4.5413 8.3059 118.5158 52.9569 41.7925 175.5616 *55 G 3.7995 8.3492 111.0034 46.1145 0.0000 174.7435 *56 S 4.2519 8.3292 118.9001 58.6134 64.2891 173.9595 *57 D 4.5136 8.3592 122.0013 53.7294 41.5332 175.9786 *58 Q 4.2136 8.3392 120.3858 55.7493 30.0968 175.3800 *59 H 4.6036 8.4392 117.4537 55.1713 29.9912 173.3690 *60 Y 4.4008 8.0376 118.0205 56.5297 38.6823 174.7736 *61 A 4.1825 8.2592 125.5214 52.7157 20.2608 177.1930 *62 D 4.4483 8.3592 119.0930 53.7444 41.8647 176.2456 *63 S 4.3436 8.3292 118.3663 58.5846 64.2725 174.6721 *64 V 3.9936 8.0492 120.3550 61.1335 33.3488 176.1101 *65 K 4.2213 8.2559 121.7775 54.3189 33.5305 175.8616 *66 G 3.7995 8.3492 110.7519 46.0593 0.0000 174.7765 *67 R 4.1219 8.2492 120.8738 56.6576 31.4012 175.9388 *68 F 4.4936 8.3192 119.0571 57.4008 39.9799 175.5964 *69 T 4.2236 8.1692 115.6547 61.2752 70.2437 174.4239 *70 I 4.0436 8.0192 122.0830 60.4141 37.4766 176.2435 *71 S 4.3436 8.3292 119.5784 58.5749 64.1006 174.4765 *72 R 4.2136 8.2492 121.5196 56.6987 31.1253 175.7094 *73 N 4.6136 8.4192 117.8391 52.8101 39.5828 174.5930 *74 D 4.5136 8.3592 119.9075 53.7444 41.8832 176.1435 *75 S 4.3436 8.3292 118.3663 58.4485 64.2725 174.4101 *76 K 4.1936 8.3092 124.5871 55.0616 33.4310 176.0094 *77 N 4.6136 8.4192 118.8051 53.0247 39.5050 174.9964 *78 T 4.2236 8.1692 113.2711 61.1898 70.5375 174.3508 *79 L 4.2136 8.1792 124.2999 54.7107 42.9168 177.2724 *80 F 4.4936 8.3192 119.7865 57.0603 39.9206 175.4508 *81 L 4.2136 8.1792 123.5030 54.7816 42.6906 177.2786 *82 Q 4.2136 8.3392 119.8976 55.6870 30.0332 175.5705 *83 M 4.3536 8.2992 118.8730 55.0337 33.3912 175.6930 *84 D 4.5136 8.3592 120.4371 53.7444 41.9655 176.1435 *85 S 4.3436 8.3292 118.3663 58.4875 64.2725 174.2508 *86 L 4.2136 8.1792 123.2132 54.7415 42.6345 177.4765 *87 R 4.2136 8.2492 119.8517 56.1620 31.3211 174.2159 *88 P 4.2936 0.0000 0.0000 62.5053 32.7409 176.8087 *89 E 4.2236 8.4392 117.1635 56.4232 31.6147 175.9930 *90 D 4.5136 8.3592 120.5100 53.9424 41.8544 176.0964 *91 T 4.2513 8.1159 111.8795 60.5449 70.4469 173.9616 *92 G 3.7995 8.3492 113.2698 46.0690 0.0000 174.9720 *93 V 3.9019 8.0492 119.7093 61.4223 33.6247 175.5354 *94 Y 4.4236 8.1392 121.0955 57.2359 38.6927 175.5724 *95 F 4.4936 8.3192 120.9470 57.2905 40.0894 175.9663 *96 C 4.5608 8.3476 117.4754 54.7227 41.7612 173.4736 *97 A 4.1825 8.2592 125.3712 52.6772 19.7392 177.6765 *98 R 4.1483 8.2492 118.6113 56.7268 31.4568 175.7951 *99 D 4.5413 8.3059 117.2982 52.9569 41.7883 175.5616 *100 G 3.8272 8.2959 108.6976 45.3270 0.0000 174.1616 *101 G 3.7078 8.3492 111.5373 46.1145 0.0000 174.7099 *102 S 4.2519 8.3292 118.9001 58.6301 64.2891 174.4099 *103 S 4.3208 8.2276 116.8612 57.8380 64.0132 173.4736 *104 A 4.1825 8.2592 126.0288 52.1509 19.8962 175.7159 *105 P 4.2283 0.0000 0.0000 62.5665 32.8174 176.7951 *106 D 4.5136 8.3592 119.9646 53.8517 41.7026 175.5690 *107 Y 4.4236 8.1392 120.4197 57.0092 38.8525 175.5994 *108 W 4.5613 8.2159 120.9631 55.9685 30.3730 175.3616 *109 G 3.7995 8.3492 110.2840 46.0994 0.0000 174.5786 *110 Q 4.1496 8.2859 118.6138 54.7487 30.1134 175.2281 *111 G 3.7995 8.3492 109.8161 46.3124 0.0000 174.6964 *112 T 4.1319 8.1692 114.7191 60.7510 70.4635 172.5824 *113 P 4.2936 0.0000 0.0000 62.5377 32.7681 177.3721 *114 V 3.9936 8.0492 118.3184 61.5131 33.5182 176.0964 *115 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *116 V 3.9936 8.0492 121.4418 61.3151 33.6311 176.1435 *117 S 4.3436 8.3292 119.0421 58.6301 64.1127 174.4435 *118 S 4.3208 8.2276 116.8612 57.8380 64.0132 173.4736 *119 A 4.1825 8.2592 126.0288 52.7324 19.8962 177.6435 *120 S 4.2783 8.3292 116.6376 58.8280 64.3447 174.4985 *121 T 4.2236 8.1692 115.3649 61.1508 70.1876 174.5101 *122 K 4.2213 8.2559 123.3680 54.3189 33.7132 175.8616 *123 G 3.7995 8.3492 110.7519 45.5330 0.0000 172.8159 *124 P 4.2019 0.0000 0.0000 62.5832 32.7618 177.1099 *125 S 4.3436 8.3292 117.5092 58.5846 64.1826 174.6721 *126 V 3.9936 8.0492 120.3550 61.2292 33.3488 175.9724 *127 F 4.4936 8.3192 120.9506 56.6214 39.8243 173.7159 *128 P 4.2936 0.0000 0.0000 62.4406 32.5420 176.9508 *129 L 4.1908 8.0776 118.4918 54.0045 42.8039 176.4736 *130 A 4.1825 8.2592 124.3609 52.1509 20.0919 175.7159 *131 P 4.2283 0.0000 0.0000 62.5832 32.8174 177.2456 *132 S 4.3436 8.3292 117.5092 58.6301 64.1826 174.4435 *133 S 4.3436 8.3292 119.5459 58.4485 64.0132 174.4101 *134 K 4.1936 8.3092 124.5871 55.1064 33.4310 176.4435 *135 S 4.3436 8.3292 118.1147 58.8280 64.1905 174.3964 *136 T 4.2236 8.1692 115.3649 61.3324 70.1876 174.5435 *137 S 4.3713 8.2759 118.3268 57.8426 64.2955 173.8616 *138 G 3.8272 8.2959 109.8772 45.3270 0.0000 174.1616 *139 G 3.7078 8.3492 111.5373 46.3124 0.0000 174.6628 *140 T 4.1091 8.0676 112.0344 60.5403 70.4635 173.5400 *141 A 4.1597 8.1576 124.4308 51.9403 20.1785 176.6736 *142 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *143 L 4.1760 8.1259 117.9990 54.0091 42.9660 176.9637 *144 G 3.7995 8.3492 110.5152 46.2021 0.0000 175.0662 *145 C 4.4919 8.4492 119.2245 55.3722 41.9810 174.2173 *146 L 4.2136 8.1792 122.5556 54.7511 42.4775 177.6721 *147 V 3.9936 8.0492 118.6872 61.1335 33.5446 176.1101 *148 K 4.1936 8.3092 124.0833 55.0897 33.5305 175.9930 *149 D 4.5136 8.3592 120.5701 53.8517 41.7105 175.5690 *150 Y 4.4236 8.1392 120.4197 57.2359 38.8525 175.5724 *151 F 4.4936 8.3192 120.9470 56.6214 40.0894 173.7159 *152 P 4.2936 0.0000 0.0000 62.5681 32.5420 176.9786 *153 Q 4.2136 8.3392 119.5288 54.9547 30.0069 173.9159 *154 P 4.2936 0.0000 0.0000 62.5377 32.7821 177.3721 *155 V 3.9936 8.0492 118.3184 61.5131 33.5182 176.0964 *156 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *157 V 3.9936 8.0492 121.4418 61.3151 33.6311 176.1435 *158 S 4.3436 8.3292 119.0421 58.3175 64.1127 174.2994 *159 W 4.5336 8.2692 123.7763 56.7113 30.0084 175.5094 *160 N 4.6136 8.4192 118.3372 52.8268 39.0244 175.0435 *161 S 4.3713 8.2759 115.1462 57.8426 64.3632 173.8616 *162 G 3.7766 8.2476 109.4984 45.3224 0.0000 173.7736 *163 A 4.0908 8.2592 125.3830 52.5898 20.1721 177.4173 *164 L 4.1483 8.1792 120.3049 54.9946 42.9660 177.4985 *165 T 4.2236 8.1692 113.6971 61.3324 70.3833 174.5435 *166 S 4.3713 8.2759 118.3268 57.8426 64.2955 173.8616 *167 G 3.7995 8.3492 112.1831 46.0690 0.0000 174.9720 *168 V 3.9019 8.0492 119.7093 61.5282 33.6247 175.6464 *169 H 4.6036 8.4392 119.3169 55.2620 29.7945 173.8964 *170 T 4.2236 8.1692 114.4708 61.2465 70.2767 174.3724 *171 F 4.4936 8.3192 122.5411 56.6214 40.0071 173.7159 *172 P 4.2708 0.0000 0.0000 61.7911 32.5420 176.1736 *173 A 4.1825 8.2592 123.9921 52.6869 20.0656 177.8721 *174 V 3.9283 8.0492 117.4467 61.1725 33.6804 176.0529 *175 L 4.2136 8.1792 122.7094 54.7816 42.7340 177.2786 *176 Q 4.2136 8.3392 119.8976 55.5362 30.0332 175.8435 *177 S 4.3436 8.3292 117.1789 58.6301 64.3094 174.4435 *178 S 4.3713 8.2759 117.2401 57.8426 64.0132 173.8616 *179 G 3.7995 8.3492 112.1831 45.9719 0.0000 174.5508 *180 L 4.1219 8.1792 122.5674 54.9039 42.9104 176.8354 *181 Y 4.4236 8.1392 119.9315 57.3218 38.7889 175.7435 *182 S 4.3436 8.3292 119.0385 58.4875 64.3778 174.2508 *183 L 4.2136 8.1792 123.2132 54.7966 42.6345 177.4435 *184 S 4.3436 8.3292 117.8780 58.6301 64.2089 174.4435 *185 S 4.3436 8.3292 119.5459 58.5846 64.0132 174.6721 *186 V 3.9936 8.0492 120.3550 61.2696 33.3488 176.3721 *187 V 3.9936 8.0492 119.8512 61.5131 33.4484 176.0964 *188 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *189 V 3.9936 8.0492 121.4418 60.7337 33.6311 174.2159 *190 P 4.2936 0.0000 0.0000 62.5832 32.5854 177.1435 *191 S 4.3436 8.3292 117.5092 58.6301 64.1826 174.4435 *192 S 4.3436 8.3292 119.5459 58.6301 64.0132 174.4435 *193 S 4.3436 8.3292 119.5459 58.4875 64.0132 174.2508 *194 L 4.2413 8.1259 120.9074 54.0091 42.6345 176.8616 *195 G 3.7995 8.3492 110.5152 46.3124 0.0000 174.6964 *196 T 4.1319 8.1692 114.7191 61.3173 70.4635 174.3450 *197 Q 4.2136 8.3392 122.6522 55.7341 30.1198 175.7964 *198 T 4.2236 8.1692 112.9979 61.4396 70.4838 173.9690 *199 Y 4.4236 8.1392 122.6861 57.2646 38.8754 175.6239 *200 I 4.0436 8.0192 120.4889 60.5017 37.5589 176.5662 *201 C 4.5836 8.4492 119.9028 55.4700 41.7925 174.0094 *202 N 4.6136 8.4192 119.5787 52.7813 39.1707 175.2720 *203 V 3.9936 8.0492 118.2612 61.2703 33.6988 175.7094 *204 N 4.6136 8.4192 119.7325 53.0399 39.4273 174.5800 *205 H 4.6036 8.4392 117.7269 54.8824 30.0449 173.9101 *206 K 4.1936 8.3092 123.6929 54.5250 33.5201 174.5159 *207 P 4.2936 0.0000 0.0000 62.5832 32.6631 177.1435 *208 S 4.3436 8.3292 117.5092 58.5853 64.1826 174.0094 *209 N 4.6136 8.4192 120.2363 53.0247 39.3278 174.9964 *210 T 4.2236 8.1692 113.2711 61.1508 70.5375 174.5101 *211 K 4.1936 8.3092 125.6738 55.0609 33.7132 176.6721 *212 V 3.9936 8.0492 118.9238 61.2984 33.5261 175.6930 *213 D 4.5136 8.3592 121.4975 53.5628 41.6327 176.1101 *214 K 4.1936 8.3092 123.4075 55.0512 33.6903 176.4765 *215 R 4.2136 8.2492 120.0884 56.6979 31.3026 176.3721 *216 V 3.9936 8.0492 117.9578 61.2372 33.6039 175.8087 *217 E 4.2236 8.4392 118.6964 55.8584 31.5448 174.5159 *218 P 4.2936 0.0000 0.0000 62.3690 31.5257 176.1053 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 *1 E 8.54 4.16 0.00 1.73 1.79 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 2.13 2.37 0.00 *2 V 8.02 3.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *3 Q 8.51 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *4 L 8.18 4.21 0.00 1.40 1.51 0.92 0.85 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 *5 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *6 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *7 S 8.28 4.37 0.00 3.59 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 *8 G 8.30 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 G 8.35 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 *11 V 8.05 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 *12 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *13 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *14 P 0.00 4.32 0.00 1.83 1.89 0.00 3.62 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 1.84 2.09 0.00 *15 G 8.35 3.80 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 0.00 0.00 0.00 *16 R 8.25 4.12 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *17 S 8.33 4.34 0.00 3.59 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 *18 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *19 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *20 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *21 S 8.33 4.34 0.00 3.59 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 *22 C 8.45 4.58 0.00 2.69 2.93 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 *23 S 8.33 4.34 0.00 3.59 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 *24 S 8.33 4.34 0.00 3.59 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 *25 S 8.28 4.37 0.00 3.59 3.71 0.00 0.00 0.00 0.00 0.00 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3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *117 S 8.33 4.34 0.00 3.59 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 *118 S 8.23 4.32 0.00 3.59 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 *119 A 8.26 4.18 1.24 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 *120 S 8.33 4.28 0.00 3.61 3.69 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 *121 T 8.17 4.22 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 *122 K 8.26 4.22 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *123 G 8.35 3.80 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 0.00 0.00 0.00 *124 P 0.00 4.20 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *125 S 8.33 4.34 0.00 3.59 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 *126 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *127 F 8.32 4.49 0.00 2.04 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 *128 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *129 L 8.08 4.19 0.00 1.40 1.51 0.92 0.80 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 *130 A 8.26 4.18 1.24 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 *131 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *132 S 8.33 4.34 0.00 3.59 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 *133 S 8.33 4.34 0.00 3.59 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 *134 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *135 S 8.33 4.34 0.00 3.59 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 *136 T 8.17 4.22 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 *137 S 8.28 4.37 0.00 3.59 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 *138 G 8.30 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *139 G 8.35 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 *140 T 8.07 4.11 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 *141 A 8.16 4.16 1.24 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 *142 A 8.26 4.12 1.24 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 *143 L 8.13 4.18 0.00 1.42 1.50 0.92 0.82 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 *144 G 8.35 3.80 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 0.00 0.00 0.00 *145 C 8.45 4.49 0.00 2.71 2.91 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 *146 L 8.18 4.21 0.00 1.40 1.51 0.92 0.85 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 *147 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *148 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *149 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 Y 8.14 4.42 0.00 2.07 2.14 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 *151 F 8.32 4.49 0.00 2.04 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 *152 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *153 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *154 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *155 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *156 T 8.17 4.22 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 *157 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *158 S 8.33 4.34 0.00 3.59 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 *159 W 8.27 4.53 0.00 2.26 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 *160 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.64 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 *161 S 8.28 4.37 0.00 3.59 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 *162 G 8.25 3.78 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 0.00 0.00 0.00 *163 A 8.26 4.09 1.24 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 *164 L 8.18 4.15 0.00 1.42 1.50 0.92 0.86 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 *165 T 8.17 4.22 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 *166 S 8.28 4.37 0.00 3.59 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 *167 G 8.35 3.80 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 0.00 0.00 0.00 *168 V 8.05 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 *169 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 T 8.17 4.22 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 *171 F 8.32 4.49 0.00 2.04 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 *172 P 0.00 4.27 0.00 1.83 1.89 0.00 3.62 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 1.84 2.09 0.00 *173 A 8.26 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *182 S 8.33 4.34 0.00 3.59 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 *183 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *184 S 8.33 4.34 0.00 3.59 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 *185 S 8.33 4.34 0.00 3.59 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 *186 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *187 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *188 T 8.17 4.22 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 *189 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *190 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *191 S 8.33 4.34 0.00 3.59 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 *192 S 8.33 4.34 0.00 3.59 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 *193 S 8.33 4.34 0.00 3.59 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 *194 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 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 *195 G 8.35 3.80 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 0.00 0.00 0.00 *196 T 8.17 4.13 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 *197 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *198 T 8.17 4.22 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 *199 Y 8.14 4.42 0.00 2.07 2.14 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 *200 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *201 C 8.45 4.58 0.00 2.69 2.93 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 *202 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.67 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 *203 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *204 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.90 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 *205 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *206 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *207 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *208 S 8.33 4.34 0.00 3.59 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 *209 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *210 T 8.17 4.22 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 *211 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *212 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *213 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *214 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *215 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *216 V 8.05 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 *217 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *218 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.