NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 A 4.1223 8.3645 123.5821 51.9979 20.3447 177.3530 *2 V 3.7494 8.0169 115.4415 60.4580 33.5821 174.4594 *3 S 4.3436 8.4958 118.7876 58.4875 65.0437 173.9155 *4 L 4.2136 8.1792 123.2132 54.7799 42.6345 176.9930 *5 D 4.5136 8.3592 120.3334 53.6893 41.7289 176.1765 *6 R 4.2136 8.2492 120.3400 56.9414 31.3846 176.0964 *7 T 4.2236 8.1692 112.9677 61.2772 70.4426 174.5765 *8 R 4.1908 8.1476 119.9216 55.9513 31.4076 175.1736 *9 A 4.1825 8.2592 123.6315 52.6869 20.1513 177.8721 *10 V 3.9283 8.0492 117.4467 61.2292 33.6804 176.0745 *11 F 4.4936 8.3192 120.9506 57.1862 39.8243 175.1930 *12 D 4.5413 8.3059 119.9853 52.9569 41.5893 175.5616 *13 G 3.7995 8.3492 111.0034 46.1145 0.0000 174.7435 *14 S 4.2519 8.3292 118.9001 58.5522 64.2891 174.0751 *15 E 4.2236 8.4392 119.2002 56.2583 31.4453 176.4101 *16 K 4.1936 8.3092 123.0958 55.1064 33.7522 176.4435 *17 S 4.3436 8.3292 118.1147 58.7809 64.1905 174.1705 *18 M 4.3536 8.2992 121.2400 55.2483 33.0950 176.0964 *19 T 4.2236 8.1692 113.8007 61.1898 70.6198 174.3508 *20 L 4.2136 8.1792 124.2999 54.7799 42.9168 176.9930 *21 D 4.5136 8.3592 120.3334 53.6872 41.7289 176.0239 *22 I 4.0436 8.0192 119.8166 60.4141 37.4536 176.2435 *23 S 4.3436 8.3292 119.5784 58.5853 64.1006 174.0094 *24 N 4.6136 8.4192 120.2363 52.8101 39.3278 174.5930 *25 D 4.5136 8.3592 119.9075 53.6996 41.8832 175.7094 *26 N 4.6136 8.4192 119.0567 52.6452 39.5871 175.0101 *27 K 4.1936 8.3092 122.4933 55.0913 33.7809 176.2786 *28 Q 4.2136 8.3392 120.1342 55.3936 30.0148 175.6508 *29 L 4.2136 8.1792 120.8462 54.2152 42.9307 175.5159 *30 P 4.2936 0.0000 0.0000 62.6904 32.6816 176.5690 *31 Y 4.4236 8.1392 119.5626 57.1792 38.7626 175.5508 *32 L 4.1908 8.0776 120.0211 54.0045 42.9991 176.4736 *33 A 4.1825 8.2592 124.3609 52.7173 20.0919 177.4786 *34 Q 4.1254 8.2376 115.9724 54.7441 30.1690 174.9757 *35 A 4.1825 8.2592 123.6618 52.4198 20.1924 177.4994 *36 W 4.4683 8.2692 120.8680 56.6988 30.3399 175.9260 *37 I 4.0436 8.0192 119.0972 60.3363 36.8910 175.9087 *38 E 4.2236 8.4392 119.2327 56.3951 31.5327 176.0094 *39 N 4.6136 8.4192 118.7450 52.7489 39.6490 174.7087 *40 E 4.2236 8.4392 117.1063 56.3951 31.7953 176.0094 *41 N 4.6136 8.4192 118.7450 52.8117 39.6490 174.8786 *42 Q 4.2136 8.3392 119.4716 55.4583 30.1874 175.5087 *43 E 4.2236 8.4392 116.8332 56.2583 31.7416 176.4101 *44 K 4.1936 8.3092 123.0958 55.0492 33.7522 176.3239 *45 I 4.0436 8.0192 119.5651 60.3569 37.3716 176.1239 *46 I 4.0436 8.0192 121.0288 60.6121 37.2817 176.1964 *47 T 4.2513 8.1159 113.0916 60.5449 70.2750 173.9616 *48 G 3.7995 8.3492 113.2698 45.5330 0.0000 172.8159 *49 P 4.2019 0.0000 0.0000 62.5377 32.7618 177.3385 *50 V 3.9936 8.0492 118.3184 61.2579 33.5182 176.0239 *51 I 4.0208 7.9176 117.8078 59.6220 37.2938 175.2736 *52 A 4.1825 8.2592 126.0613 52.9303 19.9836 177.5964 *53 T 4.1583 8.1692 112.4566 60.7510 70.5191 172.7180 *54 P 4.2936 0.0000 0.0000 62.0017 32.7681 175.2159 *55 P 4.2936 0.0000 0.0000 62.5377 32.6553 177.3721 *56 V 3.9936 8.0492 118.3184 61.3000 33.5182 175.9786 *57 Q 4.2136 8.3392 121.0617 55.4810 29.9370 175.8765 *58 R 4.2136 8.2492 119.1526 56.6009 31.4216 175.9508 *59 L 4.2136 8.1792 120.8159 54.7799 42.8896 176.9930 *60 D 4.5136 8.3592 120.3334 53.1630 41.7289 174.2159 *61 P 4.3213 0.0000 0.0000 61.7956 32.7452 176.5616 *62 G 3.7766 8.2476 107.4617 45.3224 0.0000 173.7736 *63 A 4.0908 8.2592 125.3830 52.5508 20.1721 177.5766 *64 K 4.1283 8.3092 121.6788 55.1064 33.7625 176.5456 *65 S 4.3436 8.3292 118.1147 58.7809 64.1905 174.1705 *66 M 4.3536 8.2992 121.2400 55.0049 33.0950 176.3721 *67 V 3.9936 8.0492 118.7908 61.2599 33.7811 176.1765 *68 R 4.2136 8.2492 121.0158 56.6009 31.2248 175.9508 *69 L 4.2136 8.1792 120.8159 54.7966 42.8896 177.4435 *70 S 4.3436 8.3292 117.8780 58.8280 64.2089 174.3964 *71 T 4.2236 8.1692 115.3649 61.5303 70.1876 174.4964 *72 T 4.2236 8.1692 116.4517 60.7510 70.4698 172.6159 *73 P 4.2936 0.0000 0.0000 62.5665 32.7681 176.6930 *74 D 4.5136 8.3592 119.9646 53.6872 41.7026 176.0239 *75 I 4.0436 8.0192 119.8166 60.4141 37.4536 176.2435 *76 S 4.3436 8.3292 119.5784 58.4485 64.1006 174.4101 *77 K 4.1936 8.3092 124.5871 54.9638 33.4310 176.2508 *78 L 4.2136 8.1792 121.7820 54.2152 42.8118 175.5159 *79 P 4.2936 0.0000 0.0000 62.5681 32.6816 176.9786 *80 Q 4.2136 8.3392 119.5288 55.5195 30.0069 175.3930 *81 D 4.5136 8.3592 119.6343 53.6893 41.8294 176.1765 *82 R 4.2136 8.2492 120.3400 56.6656 31.3846 175.8087 *83 E 4.2236 8.4392 116.8029 56.4398 31.7004 176.4435 *84 S 4.3436 8.3292 118.0546 58.4875 64.3344 174.2508 *85 L 4.2136 8.1792 123.2132 54.7107 42.6345 177.2724 *86 F 4.4936 8.3192 119.7865 57.3101 39.9206 175.0690 *87 Y 4.4236 8.1392 121.8891 57.2359 38.6493 175.5724 *88 F 4.4936 8.3192 120.9470 57.1581 40.0894 175.2094 *89 N 4.6136 8.4192 120.5262 52.6842 39.3839 174.8508 *90 L 4.2136 8.1792 121.1194 54.7415 42.9845 177.4765 *91 R 4.2136 8.2492 119.8517 56.6656 31.3211 175.8087 *92 E 4.2236 8.4392 116.8029 56.3827 31.7004 176.3239 *93 I 4.0436 8.0192 119.5050 59.8327 37.5155 174.3159 *94 P 4.2936 0.0000 0.0000 62.0017 32.5733 175.2159 *95 P 4.2936 0.0000 0.0000 62.5280 32.6553 177.1765 *96 R 4.2136 8.2492 119.4829 56.7434 31.2947 176.1435 *97 S 4.3436 8.3292 117.1486 58.5522 64.2683 174.1087 *98 E 4.2236 8.4392 119.2002 56.2583 31.4453 176.4101 *99 K 4.1708 8.2076 120.4111 54.3143 33.7522 175.4736 *100 A 4.1825 8.2592 124.5975 52.6876 20.0735 177.2094 *101 N 4.5483 8.4192 117.3280 52.7813 39.6593 175.3741 *102 V 3.9936 8.0492 118.2612 61.1725 33.6988 175.9508 *103 L 4.2136 8.1792 122.7094 54.7816 42.7340 177.2786 *104 Q 4.2136 8.3392 119.8976 55.4790 30.0332 175.7239 *105 I 4.0208 7.9176 115.9446 59.6220 37.4905 175.2736 *106 A 4.1825 8.2592 126.0613 52.5898 19.9836 177.4508 *107 L 4.1483 8.1792 120.3049 54.7816 42.9660 177.3807 *108 Q 4.2136 8.3392 119.8976 55.7341 30.0332 175.7964 *109 T 4.2236 8.1692 112.9979 61.1508 70.4838 174.5101 *110 K 4.1936 8.3092 125.6738 55.0492 33.7132 176.3239 *111 I 4.0436 8.0192 119.5651 60.2325 37.3716 176.2101 *112 K 4.1936 8.3092 124.6196 54.9638 33.5184 176.2508 *113 L 4.2136 8.1792 121.7820 54.7107 42.8118 177.2724 *114 F 4.4936 8.3192 119.7865 57.3101 39.9206 175.0690 *115 Y 4.4236 8.1392 121.8891 57.2666 38.6493 175.7765 *116 R 4.2136 8.2492 121.0122 56.1620 31.4899 174.2159 *117 P 4.2708 0.0000 0.0000 61.7911 32.7409 176.1736 *118 A 4.1597 8.1576 121.3074 51.9403 20.0656 176.6736 *119 A 4.1172 8.2592 123.1204 52.6752 20.2277 177.6260 *120 I 3.9783 8.0192 118.0879 60.2325 37.5258 176.3122 *121 K 4.1936 8.3092 124.6196 55.3044 33.5184 176.3964 *122 T 4.2236 8.1692 113.9337 61.2772 70.3649 174.5765 *123 R 4.2136 8.2492 122.6063 56.1620 31.4076 174.2159 *124 P 4.2936 0.0000 0.0000 62.5384 32.7409 176.7094 *125 N 4.6136 8.4192 118.1997 52.7489 39.4972 174.7087 *126 E 4.2236 8.4392 117.1063 56.3944 31.7953 176.6721 *127 V 3.9936 8.0492 118.8637 61.0025 33.6700 175.9994 *128 W 4.5336 8.2692 123.2725 56.7410 30.1079 175.7786 *129 Q 4.2136 8.3392 119.6664 55.5195 29.5342 175.3930 *130 D 4.5136 8.3592 119.6343 53.7294 41.8294 175.9786 *131 Q 4.2136 8.3392 120.3858 55.3936 30.0968 175.6508 *132 L 4.2136 8.1792 120.8462 54.7394 42.9307 177.3239 *133 I 4.0436 8.0192 119.3284 60.2715 37.3901 176.0508 *134 L 4.2136 8.1792 123.2457 54.7518 42.7219 177.0094 *135 N 4.6136 8.4192 118.5685 52.6452 39.5235 175.0101 *136 K 4.1936 8.3092 122.4933 55.0609 33.7809 176.6721 *137 V 3.9936 8.0492 118.9238 61.3151 33.5261 176.1435 *138 S 4.3713 8.2759 116.7362 57.8426 64.1127 173.8616 *139 G 3.8272 8.2959 109.8772 45.3270 0.0000 174.1616 *140 G 3.7078 8.3492 111.5373 46.2217 0.0000 174.1354 *141 Y 4.3319 8.1392 120.9535 57.2666 38.8691 175.7429 *142 R 4.2136 8.2492 121.0122 56.6862 31.4899 176.0239 *143 I 4.0436 8.0192 118.5990 60.3363 37.4494 175.9087 *144 E 4.2236 8.4392 119.2327 56.3951 31.5327 176.0094 *145 N 4.6136 8.4192 118.7450 52.2453 39.6490 173.1159 *146 P 4.2936 0.0000 0.0000 62.7811 32.8358 177.0964 *147 T 4.2236 8.1692 113.3282 60.7510 70.3570 172.6159 *148 P 4.2936 0.0000 0.0000 62.6904 32.7681 176.5690 *149 Y 4.4236 8.1392 119.5626 57.4290 38.7626 175.1690 *150 Y 4.4236 8.1392 121.0919 57.2763 38.9577 175.9720 *151 V 3.9936 8.0492 119.8476 61.5131 33.7134 176.0964 *152 T 4.2236 8.1692 114.8611 61.2869 70.2871 174.7720 *153 V 3.9936 8.0492 121.4418 61.2579 33.6311 176.0239 *154 I 4.0713 7.9659 118.1866 59.6266 37.2938 175.6616 *155 G 3.7995 8.3492 112.2156 45.9719 0.0000 174.5508 *156 L 4.1496 8.1259 120.2616 54.0091 42.9104 176.8281 *157 G 3.8272 8.2959 108.2094 45.3270 0.0000 174.1616 *158 G 3.7078 8.3492 111.5373 46.1145 0.0000 174.7099 *159 S 4.2519 8.3292 118.9001 58.5522 64.2891 174.0751 *160 E 4.2236 8.4392 119.2002 56.2583 31.4453 176.4101 *161 K 4.1936 8.3092 123.0958 55.0913 33.7522 176.2786 *162 Q 4.1908 8.2376 117.4496 54.7441 30.0148 174.8736 *163 A 4.1825 8.2592 123.6618 52.6545 20.1924 177.3087 *164 E 4.1583 8.4392 116.2918 56.3620 31.7768 176.2108 *165 E 4.2513 8.3859 115.4030 55.6523 31.7665 175.8616 *166 G 3.7995 8.3492 110.6917 46.0366 0.0000 174.4087 *167 E 4.1319 8.4392 118.5544 56.3540 31.7212 176.2388 *168 F 4.4936 8.3192 119.9631 57.1250 40.0460 175.3087 *169 E 4.2236 8.4392 119.4900 56.6378 31.5014 176.3964 *170 T 4.2236 8.1692 113.8736 61.2869 70.5088 174.7720 *171 V 3.9936 8.0492 121.4418 61.4660 33.6311 175.8705 *172 M 4.3536 8.2992 120.7362 54.9078 33.1945 175.9508 *173 L 4.2136 8.1792 121.6490 54.7966 43.0668 177.4435 *174 S 4.3436 8.3292 117.8780 58.0486 64.2089 172.5159 *175 P 4.2936 0.0000 0.0000 62.5280 32.4859 177.1765 *176 R 4.2136 8.2492 119.4829 56.7434 31.2947 176.1435 *177 S 4.3436 8.3292 117.1486 58.5522 64.2683 174.1087 *178 E 4.2236 8.4392 119.2002 56.4248 31.4453 176.2786 *179 Q 4.2136 8.3392 120.0741 55.7341 30.1587 175.7964 *180 T 4.2236 8.1692 112.9979 61.2869 70.4838 174.7720 *181 V 3.9936 8.0492 121.4418 61.1335 33.6311 176.1101 *182 K 4.1936 8.3092 124.0833 55.1064 33.5305 176.4435 *183 S 4.3208 8.2276 115.4300 57.8380 64.1905 173.4736 *184 A 4.1825 8.2592 126.0288 52.6876 19.8962 177.2094 *185 N 4.5483 8.4192 117.3280 52.9340 39.6593 174.5711 *186 Y 4.4236 8.1392 119.5055 57.2770 38.9431 175.3094 *187 N 4.6136 8.4192 119.7289 53.0247 39.6923 174.9964 *188 T 4.2236 8.1692 113.2711 60.7510 70.5375 172.6159 *189 P 4.2936 0.0000 0.0000 62.6904 32.7681 176.5690 *190 Y 4.4236 8.1392 119.5626 57.1792 38.7626 175.5508 *191 L 4.2136 8.1792 122.7058 54.7966 42.9991 177.4435 *192 S 4.3436 8.3292 117.8780 58.7373 64.2089 173.8690 *193 Y 4.4236 8.1392 121.5993 57.2646 38.5932 175.6239 *194 I 4.0436 8.0192 120.4889 60.3694 37.5589 175.8094 *195 N 4.6136 8.4192 120.2689 52.8101 39.4152 174.5930 *196 D 4.5136 8.3592 119.9075 53.8517 41.8832 175.5690 *197 Y 4.4513 8.0859 118.1139 56.5343 38.8525 175.1616 *198 G 3.8272 8.2959 109.3698 45.3270 0.0000 174.1616 *199 G 3.7078 8.3492 111.5373 46.0593 0.0000 174.7429 *200 R 4.1219 8.2492 120.8738 56.1620 31.4012 174.1824 *201 P 4.2936 0.0000 0.0000 62.5377 32.7409 177.3721 *202 V 3.9936 8.0492 118.3184 61.1725 33.5182 175.9508 *203 L 4.2136 8.1792 122.7094 54.7966 42.7340 177.4435 *204 S 4.3436 8.3292 117.8780 58.5442 64.2089 174.2724 *205 F 4.4936 8.3192 121.4544 57.1457 39.7248 175.5239 *206 I 4.0436 8.0192 121.2861 60.5017 37.2504 176.5662 *207 C 4.5836 8.4492 119.9028 55.4700 41.7925 174.0094 *208 N 4.6413 8.3659 117.2729 52.0393 39.1707 174.4616 *209 G 3.7995 8.3492 110.0892 46.1145 0.0000 174.7435 *210 S 4.2519 8.3292 118.9001 58.5749 64.2891 174.4429 *211 R 4.2136 8.2492 121.5196 56.8310 31.1253 176.4663 *212 C 4.5836 8.4492 117.4731 55.5148 41.9602 174.4435 *213 S 4.3436 8.3292 118.8883 58.5846 63.8562 174.6721 *214 V 3.9936 8.0492 120.3550 61.1335 33.3488 176.1101 *215 K 4.1936 8.3092 124.0833 54.9248 33.5305 176.4101 *216 K 4.1936 8.3092 123.1559 55.0285 33.6082 176.1087 *217 E 4.2236 8.4392 117.7690 56.2583 31.6226 176.4101 *218 K 4.1936 8.3092 123.0958 54.8922 32.4708 175.4053 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 A 8.36 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 *2 V 8.02 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 0.70 0.00 0.00 0.93 0.00 0.00 *3 S 8.50 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 *4 L 8.18 4.21 0.00 1.40 1.51 0.92 0.98 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 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 *6 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 *7 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 *8 R 8.15 4.19 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *9 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 *10 V 8.05 3.93 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 *11 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 *12 D 8.31 4.54 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 *13 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 *14 S 8.33 4.25 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 *15 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 *16 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 *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 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *19 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 *20 L 8.18 4.21 0.00 1.40 1.51 0.92 0.98 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 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 *22 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 *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 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 8.06 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 *25 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.26 1.51 7.81 *100 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 *101 N 8.42 4.55 0.00 2.50 2.64 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 *102 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 *103 L 8.18 4.21 0.00 1.40 1.51 0.92 0.78 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 *104 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 *105 I 7.92 4.02 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 1.35 0.97 0.91 0.00 0.00 *106 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 *107 L 8.18 4.15 0.00 1.42 1.50 0.92 0.78 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 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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 *117 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 *118 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 *119 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 *120 I 8.02 3.98 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 0.60 0.91 0.00 0.00 *121 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 *122 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 *123 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 *124 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 *125 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *126 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 *127 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 *128 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 *129 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 *130 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 *131 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 *132 L 8.18 4.21 0.00 1.40 1.51 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 *133 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 *134 L 8.18 4.21 0.00 1.40 1.51 0.92 0.96 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 *135 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.44 0.00 0.00 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 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 *137 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 *138 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 *139 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 *140 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 *141 Y 8.14 4.33 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 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 *143 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 *144 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 *145 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.75 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 *146 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 *147 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 *148 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 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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 *158 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 *159 S 8.33 4.25 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 *160 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 *161 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 *162 Q 8.24 4.19 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 2.43 0.00 *163 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 *164 E 8.44 4.16 0.00 1.75 1.78 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 2.13 2.37 0.00 *165 E 8.39 4.25 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 2.38 0.00 *166 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 *167 E 8.44 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 *168 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 *169 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 *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 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 *172 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *173 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 0.00 0.00 0.00 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1.84 2.08 0.00 *190 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 *191 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 *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 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 *194 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 *195 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 8.06 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 *196 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 *197 Y 8.09 4.45 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 *198 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 *199 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 *200 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 *201 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 *202 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 *203 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 *204 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 *205 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 *206 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 *207 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 *208 N 8.37 4.64 0.00 2.48 2.66 0.00 0.00 6.84 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 *209 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 *210 S 8.33 4.25 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 *211 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 *212 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 *213 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 *214 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 *215 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 *216 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 *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 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 * Residues marked with a * may have inaccurate shift predictions.