NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.3042 33.5435 175.8530 *2 I 3.8924 7.8754 117.4269 59.1295 37.4780 173.9003 *3 G 3.7995 8.5158 111.9611 46.0593 0.0000 174.4411 *4 R 4.1219 8.2492 120.8738 56.6009 31.4012 175.9173 *5 L 4.2136 8.1792 120.8159 54.7415 42.8896 177.4765 *6 R 4.2413 8.1959 117.5459 55.9559 31.3211 175.5616 *7 G 3.7995 8.3492 109.7858 46.0573 0.0000 174.6239 *8 I 3.9519 8.0192 120.3505 60.3569 37.4702 176.0904 *9 I 4.0436 8.0192 121.0288 60.3569 37.2817 176.1239 *10 I 4.0436 8.0192 121.0288 60.3363 37.2817 175.9087 *11 E 4.2236 8.4392 119.2327 56.2583 31.5327 176.4101 *12 K 4.1936 8.3092 123.0958 55.0913 33.7522 176.2786 *13 Q 4.2136 8.3392 120.1342 54.9547 30.0148 173.9159 *14 P 4.2936 0.0000 0.0000 62.0017 32.7821 175.2159 *15 P 4.2936 0.0000 0.0000 62.4406 32.6553 176.9508 *16 L 4.2136 8.1792 121.1765 54.7511 42.8039 177.6721 *17 V 3.9936 8.0492 118.6872 61.1725 33.5446 175.9508 *18 L 4.2136 8.1792 122.7094 54.7394 42.7340 177.3239 *19 I 4.0436 8.0192 119.3284 60.3363 37.3901 175.9087 *20 E 4.2236 8.4392 119.2327 56.3944 31.5327 176.6721 *21 V 4.0213 7.9959 116.5579 60.5276 33.6700 175.5616 *22 G 3.8272 8.2959 109.3734 45.3270 0.0000 174.1616 *23 G 3.7078 8.3492 111.5373 46.0690 0.0000 174.9385 *24 V 3.9296 7.9959 117.4034 60.5276 33.6247 175.5281 *25 G 3.7995 8.3492 111.6793 46.2217 0.0000 174.1690 *26 Y 4.3319 8.1392 120.9535 57.2439 38.8691 175.3751 *27 E 4.2236 8.4392 118.6928 56.3944 31.8099 176.6721 *28 V 3.9936 8.0492 118.8637 61.5282 33.6700 175.6800 *29 H 4.6036 8.4392 119.3169 55.2149 29.7945 173.6705 *30 M 4.3536 8.2992 120.3458 54.4689 33.1841 174.2159 *31 P 4.2936 0.0000 0.0000 62.7340 32.9181 176.8705 *32 M 4.3536 8.2992 119.2033 55.2483 33.2644 176.0964 *33 T 4.2236 8.1692 113.8007 61.4200 70.6198 174.1530 *34 C 4.4236 8.3392 121.1570 58.2289 29.9107 174.2724 *35 F 4.4936 8.3192 120.7968 57.3101 39.5678 175.0690 *36 Y 4.4236 8.1392 121.8891 57.2439 38.6493 175.4087 *37 E 4.2236 8.4392 118.6928 56.2973 31.8099 176.2508 *38 L 4.2136 8.1792 121.7219 54.2152 42.9557 175.5159 *39 P 4.2936 0.0000 0.0000 62.5053 32.6816 176.8087 *40 E 4.2008 8.3376 114.4788 55.6478 31.6147 175.4736 *41 A 4.2102 8.2059 122.2316 51.9449 20.2174 177.0616 *42 G 3.7341 8.3492 109.2747 46.0994 0.0000 174.6807 *43 Q 4.1219 8.3392 120.9197 55.4583 30.1134 175.4751 *44 E 4.2008 8.3376 114.1485 55.6478 31.7416 175.4736 *45 A 4.1825 8.2592 124.5374 52.6752 20.2174 177.5239 *46 I 3.9783 8.0192 118.0879 60.3686 37.5258 176.5741 *47 V 3.9936 8.0492 120.3876 61.2292 33.4362 175.9724 *48 F 4.4936 8.3192 120.9506 57.4008 39.8243 175.5964 *49 T 4.2236 8.1692 115.6547 61.5455 70.2437 174.0800 *50 H 4.6036 8.4392 120.9074 54.9781 29.9773 173.7724 *51 F 4.4936 8.3192 120.5602 57.1574 39.8139 175.8721 *52 V 3.9936 8.0492 120.6449 61.2696 33.4049 176.3721 *53 V 3.9936 8.0492 119.8512 61.2599 33.4484 176.1765 *54 R 4.2136 8.2492 121.0158 56.6656 31.2248 175.8087 *55 E 4.2236 8.4392 116.8029 56.4232 31.7004 175.9930 *56 D 4.4908 8.2576 117.8253 52.9523 41.8544 175.1736 *57 A 4.1825 8.2592 124.8491 52.7173 20.1555 177.4786 *58 Q 4.1483 8.3392 118.6571 55.3936 30.1690 175.7529 *59 L 4.2136 8.1792 120.8462 54.6540 42.9307 177.2508 *60 L 4.2136 8.1792 121.5453 54.9039 42.8302 176.8690 *61 Y 4.4513 8.0859 117.6256 56.5343 38.7889 175.1616 *62 G 3.7995 8.3492 111.6757 46.0286 0.0000 174.5724 *63 F 4.4019 8.3192 120.8086 57.1581 40.0007 175.1758 *64 N 4.6136 8.4192 120.5262 52.7820 39.3839 174.6094 *65 N 4.6136 8.4192 118.1425 52.6452 39.6777 175.0101 *66 K 4.1936 8.3092 122.4933 55.0913 33.7809 176.2786 *67 Q 4.2136 8.3392 120.1342 55.4583 30.0148 175.5087 *68 E 4.2236 8.4392 116.8332 56.3847 31.7416 176.4765 *69 R 4.2136 8.2492 120.0283 56.9414 31.4465 176.0964 *70 T 4.2236 8.1692 112.9677 61.1898 70.4426 174.3508 *71 L 4.2136 8.1792 124.2999 54.7107 42.9168 177.2724 *72 F 4.4936 8.3192 119.7865 57.0213 39.9206 175.6101 *73 K 4.1936 8.3092 124.8769 55.0285 33.4871 176.1087 *74 E 4.2236 8.4392 117.7690 56.2973 31.6226 176.2508 *75 L 4.2136 8.1792 121.7219 54.7394 42.9557 177.3239 *76 I 4.0436 8.0192 119.3284 60.2325 37.3901 176.2101 *77 K 4.1936 8.3092 124.6196 55.3044 33.5184 176.3964 *78 T 4.2236 8.1692 113.9337 61.2876 70.3649 174.1094 *79 N 4.6413 8.3659 119.0172 52.0393 39.6100 174.4616 *80 G 3.7995 8.3492 110.0892 46.0690 0.0000 174.9720 *81 V 3.9296 7.9959 117.4034 60.5276 33.6247 175.5281 *82 G 3.7995 8.3492 111.6793 45.5330 0.0000 172.8159 *83 P 4.2019 0.0000 0.0000 62.4016 32.7618 177.0766 *84 K 4.1936 8.3092 122.5504 54.9638 33.6004 176.2508 *85 L 4.1908 8.0776 119.0973 54.0045 42.8118 176.4736 *86 A 4.1825 8.2592 124.3609 52.5898 20.0919 177.4508 *87 L 4.1254 8.0776 117.6202 54.0045 42.9660 176.5757 *88 A 4.1825 8.2592 124.3609 52.6752 20.0919 177.5239 *89 I 3.9783 8.0192 118.0879 60.2715 37.5258 176.1529 *90 L 4.2136 8.1792 123.2457 54.7966 42.7219 177.4435 *91 S 4.3713 8.2759 115.5722 57.8426 64.2089 173.8616 *92 G 3.7995 8.3492 112.1831 46.2653 0.0000 174.4705 *93 M 4.2619 8.2992 120.5942 55.0504 33.3709 176.1099 *94 S 4.3208 8.2276 115.2970 57.8380 64.4455 173.4736 *95 A 4.1825 8.2592 126.0288 52.7173 19.8962 177.4786 *96 Q 4.1483 8.3392 118.6571 55.5211 30.1690 175.7807 *97 Q 4.2136 8.3392 119.1985 55.4503 30.1337 175.6724 *98 F 4.4936 8.3192 119.0874 57.1574 40.0210 175.8721 *99 V 3.9936 8.0492 120.6449 61.2703 33.4049 175.7094 *100 N 4.5908 8.3176 117.0478 52.0347 39.4273 174.0736 *101 A 4.1825 8.2592 123.9349 52.6869 20.2462 177.8721 *102 V 3.9283 8.0492 117.4467 61.2372 33.6804 175.9108 *103 E 4.2236 8.4392 118.6964 56.3847 31.5448 176.4765 *104 R 4.2136 8.2492 120.0283 56.6656 31.4465 175.8087 *105 E 4.2236 8.4392 116.8029 56.3620 31.7004 176.1087 *106 E 4.2236 8.4392 117.7088 56.3944 31.7665 176.6721 *107 V 4.0213 7.9959 116.5579 60.5276 33.6700 175.5616 *108 G 3.7766 8.2476 108.9946 45.3224 0.0000 173.7736 *109 A 4.0908 8.2592 125.3830 52.5898 20.1721 177.4173 *110 L 4.1483 8.1792 120.3049 54.7511 42.9660 177.7742 *111 V 3.9936 8.0492 118.6872 61.1335 33.5446 176.1101 *112 K 4.1936 8.3092 124.0833 54.9638 33.5305 176.2508 *113 L 4.2136 8.1792 121.7820 54.2152 42.8118 175.5159 *114 P 4.3213 0.0000 0.0000 61.7956 32.6816 176.5616 *115 G 3.7995 8.3492 110.1464 46.0573 0.0000 174.6239 *116 I 3.9796 7.9659 118.0446 59.6266 37.4702 175.6281 *117 G 3.7995 8.3492 112.2156 45.9329 0.0000 174.7101 *118 K 4.1019 8.3092 123.9413 54.9248 33.7069 176.3766 *119 K 4.1936 8.3092 123.1559 55.3044 33.6082 176.3964 *120 T 4.2008 8.0676 111.2490 60.5403 70.3649 173.5736 *121 A 4.1825 8.2592 127.1155 52.6545 20.1785 177.3087 *122 E 4.1583 8.4392 116.2918 56.3847 31.7768 176.5786 *123 R 4.2136 8.2492 120.0283 56.6009 31.4465 175.9508 *124 L 4.2136 8.1792 120.8159 54.7394 42.8896 177.3239 *125 I 4.0436 8.0192 119.3284 60.3686 37.3901 176.4720 *126 V 3.9936 8.0492 120.3876 61.2372 33.4362 175.8087 *127 E 4.2236 8.4392 118.6964 56.5907 31.5448 176.1705 *128 M 4.3536 8.2992 119.7486 54.8688 33.4162 176.1101 *129 K 4.1936 8.3092 123.0229 55.0897 33.8632 175.9930 *130 D 4.5136 8.3592 120.5701 53.6893 41.7105 176.1765 *131 R 4.2136 8.2492 120.3400 56.6576 31.3846 175.9724 *132 F 4.4936 8.3192 119.0571 57.0213 39.9799 175.6101 *133 K 4.2213 8.2559 122.5711 54.3189 33.4871 175.8616 *134 G 3.7995 8.3492 110.7519 45.9719 0.0000 174.5508 *135 L 4.1219 8.1792 122.5674 55.0098 42.9104 176.9464 *136 H 4.6313 8.3859 115.8470 54.2765 29.8907 173.3616 *137 G 3.7995 8.3492 111.2889 46.0978 0.0000 174.2930 *138 D 4.4219 8.3592 121.3555 53.6018 41.8091 175.9173 *139 L 4.2136 8.1792 122.0336 54.7107 42.8938 177.2724 *140 F 4.4936 8.3192 119.7865 57.4008 39.9206 175.5964 *141 T 4.2236 8.1692 115.6547 60.7510 70.2437 172.6159 *142 P 4.2936 0.0000 0.0000 62.7811 32.7681 177.0964 *156 T 4.2236 8.1692 113.3282 61.3157 70.3570 174.0930 *157 D 4.5136 8.3592 123.0880 53.7277 41.8155 175.6930 *158 D 4.4908 8.2576 118.1370 52.9523 41.7925 175.1736 *159 A 4.1825 8.2592 124.8491 52.6545 20.1555 177.3087 *160 E 4.1583 8.4392 116.2918 56.4248 31.7768 176.3807 *161 Q 4.2136 8.3392 120.0741 55.4583 30.1587 175.5087 *162 E 4.2008 8.3376 114.1485 55.6478 31.7416 175.4736 *163 A 4.1825 8.2592 124.5374 52.6869 20.2174 177.8721 *164 V 3.9054 7.9476 114.7620 60.5230 33.6804 175.2757 *165 A 4.1597 8.1576 122.8403 51.9403 19.9957 176.6736 *166 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *167 L 4.1483 8.1792 120.3049 54.7511 42.9660 177.7742 *168 V 3.9708 7.9476 116.0025 60.5230 33.5446 175.1736 *169 A 4.1825 8.2592 125.5250 52.5898 19.9957 177.4508 *170 L 4.1760 8.1259 117.9990 54.0091 42.9660 176.9637 *171 G 3.7995 8.3492 110.5152 46.2217 0.0000 174.1690 *172 Y 4.3319 8.1392 120.9535 57.1402 38.8691 175.6766 *173 K 4.1936 8.3092 124.0797 54.5250 33.7955 174.5159 *174 P 4.2936 0.0000 0.0000 62.5681 32.6631 176.9786 *175 Q 4.2136 8.3392 119.5288 55.4583 30.0069 175.5087 *176 E 4.2008 8.3376 114.1485 55.6478 31.7416 175.4736 *177 A 4.1825 8.2592 124.5374 52.7324 20.2174 177.6435 *178 S 4.2783 8.3292 116.6376 58.5749 64.3447 174.5786 *179 R 4.2136 8.2492 121.5196 56.8943 31.1253 175.8705 *180 M 4.3536 8.2992 118.8427 55.0049 33.3500 176.3721 *181 V 3.9936 8.0492 118.7908 61.3151 33.7811 176.1435 *182 S 4.3436 8.3292 119.0421 58.4485 64.1127 174.4101 *183 K 4.1936 8.3092 124.5871 55.0492 33.4310 176.3239 *184 I 4.0208 7.9176 116.8804 59.6220 37.3716 175.2736 *185 A 4.1825 8.2592 126.0613 52.6772 19.9836 177.6765 *186 R 4.1483 8.2492 118.6113 56.1620 31.4568 174.3180 *187 P 4.2936 0.0000 0.0000 62.5665 32.7409 176.6930 *188 D 4.4908 8.2576 117.2799 52.9523 41.7026 175.1736 *189 A 4.1825 8.2592 124.8491 52.7324 20.1555 177.6435 *190 S 4.2783 8.3292 116.6376 58.6301 64.3447 174.5456 *191 S 4.3436 8.3292 119.5459 58.5522 64.0132 174.1087 *192 E 4.2236 8.4392 119.2002 56.6378 31.4453 176.3964 *193 T 4.2236 8.1692 113.8736 61.1898 70.5088 174.3508 *194 L 4.2136 8.1792 124.2999 54.7394 42.9168 177.3239 *195 I 4.0436 8.0192 119.3284 60.3590 37.3901 176.2765 *196 R 4.2136 8.2492 121.5521 56.6656 31.2127 175.8087 *197 E 4.2008 8.3376 114.1182 55.6478 31.7004 175.4736 *198 A 4.1825 8.2592 124.5374 52.5898 20.2174 177.4508 *199 L 4.1483 8.1792 120.3049 54.7415 42.9660 177.5786 *200 R 4.1908 8.1476 117.1671 55.9513 31.3211 175.1736 *201 A 4.1597 8.1576 120.9468 51.9403 20.1513 176.6736 *202 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *203 L 4.1483 8.1792 120.3049 54.5824 41.6847 176.5074 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 M 8.40 4.29 0.00 1.77 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 *2 I 7.88 3.89 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 *3 G 8.52 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 *4 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 *5 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 *6 R 8.20 4.24 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 *7 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 *8 I 8.02 3.95 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 *9 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 *10 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 *11 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 *12 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 *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 4.29 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 *15 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 *16 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 *17 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 *18 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 *19 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 *20 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 *21 V 8.00 4.02 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 0.84 0.00 0.00 0.93 0.00 0.00 *22 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 *23 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 *24 V 8.00 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 0.72 0.00 0.00 0.93 0.00 0.00 *25 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 *26 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 *27 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 *28 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 *29 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 *30 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 *31 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 *32 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 *33 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 *34 C 8.34 4.42 0.00 2.69 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 *35 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 *36 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 *37 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 *38 L 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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 *113 L 8.18 4.21 0.00 1.40 1.51 0.92 0.87 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 *114 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 *115 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 *116 I 7.97 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 1.35 0.60 0.91 0.00 0.00 *117 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 *118 K 8.31 4.10 0.00 1.54 1.64 0.00 1.61 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 *119 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 *120 T 8.07 4.20 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 *121 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 *122 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 *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 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 *125 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 *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 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 *128 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 *129 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 *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 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 *132 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 *133 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 *134 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 *135 L 8.18 4.12 0.00 1.42 1.50 0.92 0.92 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 *136 H 8.39 4.63 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 *137 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 *138 D 8.36 4.42 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 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 *140 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 *141 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 *142 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 *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 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 *158 D 8.26 4.49 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 *159 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 *160 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 *161 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 *162 E 8.34 4.20 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 *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 V 7.95 3.91 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 0.72 0.00 0.00 0.93 0.00 0.00 *165 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 *166 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 *167 L 8.18 4.15 0.00 1.42 1.50 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 *168 V 7.95 3.97 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 0.84 0.00 0.00 0.93 0.00 0.00 *169 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 *170 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 *171 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 *172 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 *173 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 *174 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 *175 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 *176 E 8.34 4.20 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 *177 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 *178 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 *179 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 *180 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 *181 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 *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 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 *184 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 *185 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 *186 R 8.25 4.15 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 *187 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 *188 D 8.26 4.49 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 *189 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 *190 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 *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 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 *193 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 *194 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 *195 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 *196 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 *197 E 8.34 4.20 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 *198 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 *199 L 8.18 4.15 0.00 1.42 1.50 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 *200 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 *201 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 *202 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 *203 L 8.18 4.15 0.00 1.42 1.50 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.