NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.2835 33.5435 175.8530 *2 E 4.0447 8.4069 115.6308 55.4402 31.7290 174.6631 *3 L 4.2136 8.3458 121.4674 54.9946 43.8867 177.0611 *4 T 4.2008 8.0676 111.0124 60.5403 70.3833 173.5736 *5 A 4.1825 8.2592 127.1155 52.5508 20.1785 177.6101 *6 K 4.1283 8.3092 121.6788 54.5250 33.7625 174.6180 *7 P 4.2936 0.0000 0.0000 62.5280 32.6631 177.1765 *8 R 4.2136 8.2492 119.4829 56.9414 31.2947 176.0964 *9 T 4.2236 8.1692 112.9677 60.7510 70.4426 172.6159 *10 P 4.2936 0.0000 0.0000 62.4016 32.7681 177.1101 *11 K 4.1936 8.3092 122.5504 55.0913 33.6004 176.2786 *12 Q 4.2136 8.3392 120.1342 55.3546 30.0148 175.8101 *13 K 4.1936 8.3092 122.2201 54.9638 33.7272 176.2508 *14 L 4.2136 8.1792 121.7820 54.7799 42.8118 176.9930 *15 D 4.5136 8.3592 120.3334 53.6665 41.7289 175.8087 *16 E 4.2236 8.4392 118.0205 56.4398 31.7046 176.4435 *17 S 4.3436 8.3292 118.0546 58.7809 64.3344 174.1705 *18 M 4.3536 8.2992 121.2400 54.9932 33.0950 176.0239 *19 I 4.0208 7.9176 116.7474 59.6220 37.6266 175.2736 *20 A 4.1597 8.1576 123.3766 51.9403 19.9836 176.6736 *21 A 4.1172 8.2592 123.1204 52.6869 20.2277 177.9742 *22 V 3.9054 7.9476 114.7620 60.5230 33.6804 175.2757 *23 A 4.1825 8.2592 125.5250 52.8396 19.9957 177.0690 *24 Y 4.3583 8.1392 118.6910 57.2770 38.9247 175.4115 *25 N 4.6136 8.4192 119.7289 52.6452 39.6923 175.0101 *26 K 4.1936 8.3092 122.4933 55.0285 33.7809 176.1087 *27 E 4.2236 8.4392 117.7690 56.3951 31.6226 176.0094 *28 N 4.6136 8.4192 118.7450 52.7820 39.6490 174.6094 *29 N 4.6136 8.4192 118.1425 52.7813 39.6777 175.2720 *30 V 3.9936 8.0492 118.2612 61.3151 33.6988 176.1435 *31 S 4.3436 8.3292 119.0421 58.5442 64.1127 174.2724 *32 F 4.4708 8.2176 118.7697 56.4108 39.7248 174.6736 *33 A 4.1825 8.2592 126.3186 52.5898 19.9523 177.4508 *34 L 4.1483 8.1792 120.3049 54.7799 42.9660 177.0951 *35 D 4.5136 8.3592 120.3334 53.6893 41.7289 176.1765 *36 R 4.2136 8.2492 120.3400 56.5619 31.3846 176.1101 *37 K 4.1708 8.2076 119.5052 54.3143 33.6860 175.4736 *38 A 4.1825 8.2592 124.5975 52.6465 20.0735 177.4724 *39 F 4.4283 8.3192 118.5460 57.1862 40.0563 175.2951 *40 D 4.5136 8.3592 122.2911 53.6893 41.5893 176.1765 *41 R 4.1908 8.1476 117.6553 55.9513 31.3846 175.1736 *42 A 4.1825 8.2592 123.6315 52.6465 20.1513 177.4724 *43 F 4.4283 8.3192 118.5460 57.1477 40.0563 175.7786 *44 R 4.2136 8.2492 121.8094 56.7284 31.1814 175.9786 *45 Q 4.2136 8.3392 119.1682 55.5211 30.0926 175.6786 *46 Q 4.2136 8.3392 119.1985 55.5362 30.1337 175.8435 *47 S 4.3436 8.3292 117.1789 58.8280 64.3094 174.3964 *48 T 4.2236 8.1692 115.3649 61.5303 70.1876 174.4964 *49 T 4.2513 8.1159 114.1458 60.5449 70.4698 173.9616 *50 G 3.7995 8.3492 113.2698 45.9719 0.0000 174.5508 *51 L 4.1219 8.1792 122.5674 54.7107 42.9104 177.2388 *52 F 4.4936 8.3192 119.7865 57.1862 39.9206 175.1930 *53 D 4.5136 8.3592 122.2911 53.6872 41.5893 176.0239 *54 I 4.0436 8.0192 119.8166 60.6121 37.4536 176.1964 *55 T 4.2236 8.1692 115.3974 61.2869 70.2750 174.7720 *56 V 3.9936 8.0492 121.4418 61.2372 33.6311 175.8087 *57 E 4.2513 8.3859 116.3905 55.6523 31.5448 175.8616 *58 G 3.8272 8.2959 108.3859 45.3270 0.0000 174.1616 *59 G 3.7078 8.3492 111.5373 46.0366 0.0000 174.3751 *60 E 4.1319 8.4392 118.5544 56.6378 31.7212 176.3628 *61 T 4.2236 8.1692 113.8736 61.2465 70.5088 174.3724 *62 F 4.4936 8.3192 122.5411 56.6214 40.0071 173.7159 *63 P 4.2708 0.0000 0.0000 61.7911 32.5420 176.1736 *64 A 4.1825 8.2592 123.9921 52.5898 20.0656 177.4508 *65 L 4.1483 8.1792 120.3049 54.7511 42.9660 177.7742 *66 V 3.9936 8.0492 118.6872 61.1335 33.5446 176.1101 *67 K 4.1708 8.2076 121.3986 54.3143 33.5305 175.4736 *68 A 4.1825 8.2592 124.5975 52.6869 20.0735 177.8721 *69 V 3.9283 8.0492 117.4467 61.3000 33.6804 176.0807 *70 Q 4.2136 8.3392 121.0617 55.6870 29.9370 175.5705 *71 M 4.3536 8.2992 118.8730 55.0337 33.3912 175.6930 *72 D 4.5136 8.3592 120.4371 53.5628 41.9655 176.1101 *73 K 4.1936 8.3092 123.4075 55.0512 33.6903 176.4765 *74 R 4.2136 8.2492 120.0884 56.5619 31.3026 176.1101 *75 K 4.1936 8.3092 122.1899 55.0512 33.6860 176.4765 *76 R 4.1908 8.1476 117.4037 55.9513 31.3026 175.1736 *77 A 4.1825 8.2592 123.6315 52.1509 20.1513 175.7159 *78 P 4.2283 0.0000 0.0000 62.5260 32.8174 177.1260 *79 I 4.0436 8.0192 118.9596 60.6273 37.3637 175.7800 *80 H 4.6036 8.4392 119.8532 55.0185 29.7824 174.1721 *81 V 3.9936 8.0492 119.4609 61.2984 33.4379 175.6930 *82 D 4.5136 8.3592 121.4975 53.6585 41.6327 175.9724 *83 F 4.4936 8.3192 120.2747 57.3101 39.9841 175.0690 *84 Y 4.4236 8.1392 121.8891 57.4727 38.6493 175.4705 *85 M 4.3536 8.2992 120.7326 55.0049 33.4595 176.3721 *86 V 3.9936 8.0492 118.7908 61.5131 33.7811 176.0964 *87 T 4.2236 8.1692 114.8611 61.4396 70.2871 173.9690 *88 Y 4.4513 8.0859 120.3802 56.5343 38.8754 175.1616 *89 G 3.7995 8.3492 111.6757 46.0366 0.0000 174.4087 *90 E 4.1319 8.4392 118.5544 55.8584 31.7212 174.4824 *91 P 4.2936 0.0000 0.0000 62.5377 32.8071 177.3721 *92 V 3.9936 8.0492 118.3184 61.2372 33.5182 175.8087 *93 E 4.2236 8.4392 118.6964 56.3944 31.5448 176.6721 *94 V 3.9936 8.0492 118.8637 61.3151 33.6700 176.1435 *95 S 4.3436 8.3292 119.0421 58.5846 64.1127 174.6721 *96 V 3.9936 8.0492 120.3550 60.7337 33.3488 174.2159 *97 P 4.2936 0.0000 0.0000 62.5377 32.5854 177.3721 *98 V 3.9936 8.0492 118.3184 61.5282 33.5182 175.6800 *99 H 4.6036 8.4392 119.3169 55.2620 29.7945 173.8964 *100 T 4.2236 8.1692 114.4708 61.5303 70.2767 174.4964 *101 T 4.2513 8.1159 114.1458 60.5449 70.4698 173.9616 *102 G 3.7995 8.3492 113.2698 46.0593 0.0000 174.7765 *103 R 4.1219 8.2492 120.8738 56.7434 31.4012 176.1099 *104 S 4.3436 8.3292 117.1486 58.6150 64.2683 174.2786 *105 Q 4.2413 8.2859 119.2596 54.7487 29.8375 175.2616 *106 G 3.7995 8.3492 109.8161 46.0366 0.0000 174.4087 *107 E 4.1319 8.4392 118.5544 56.3944 31.7212 176.6385 *108 V 3.9936 8.0492 118.8637 61.3000 33.6700 175.9786 *109 Q 4.2413 8.2859 118.7558 54.7487 29.9370 175.2616 *110 G 3.8272 8.2959 107.5102 45.3270 0.0000 174.1616 *111 G 3.7078 8.3492 111.5373 45.9719 0.0000 174.5173 *112 L 4.1219 8.1792 122.5674 54.7511 42.9104 177.6385 *113 V 3.9936 8.0492 118.6872 61.2984 33.5446 175.6930 *114 D 4.5136 8.3592 121.4975 53.6872 41.6327 176.0239 *115 I 4.0436 8.0192 119.8166 60.3686 37.4536 176.4720 *116 V 3.9936 8.0492 120.3876 61.2696 33.4362 176.3721 *117 V 3.9936 8.0492 119.8512 61.5282 33.4484 175.6800 *118 H 4.6036 8.4392 119.3169 55.0192 29.7945 173.5094 *119 N 4.6136 8.4192 119.3422 52.6842 39.4169 174.8508 *120 L 4.2136 8.1792 121.1194 54.7816 42.9845 177.2786 *121 Q 4.2136 8.3392 119.8976 55.4790 30.0332 175.7239 *122 I 4.0436 8.0192 118.6293 60.3686 37.4905 176.4720 *123 V 3.9708 7.9476 117.7029 60.5230 33.4362 175.1736 *124 A 4.1825 8.2592 125.5250 52.1509 19.9957 175.7159 *125 P 4.2560 0.0000 0.0000 61.7956 32.8174 176.6637 *126 G 3.7995 8.3492 110.1464 45.5330 0.0000 172.8159 *127 P 4.2019 0.0000 0.0000 62.5280 32.7618 177.1429 *128 R 4.2136 8.2492 119.4829 56.6883 31.2947 176.1765 *129 R 4.2136 8.2492 119.1224 56.6862 31.3804 176.0239 *130 I 4.0436 8.0192 118.5990 59.8327 37.4494 174.3159 *131 P 4.2936 0.0000 0.0000 62.5681 32.5733 176.9786 *132 Q 4.2136 8.3392 119.5288 55.4583 30.0069 175.5087 *133 E 4.2236 8.4392 116.8332 56.2973 31.7416 176.2508 *134 L 4.2136 8.1792 121.7219 54.7511 42.9557 177.6721 *135 V 3.9936 8.0492 118.6872 61.2696 33.5446 176.3721 *136 V 3.9936 8.0492 119.8512 61.2984 33.4484 175.6930 *137 D 4.5136 8.3592 121.4975 53.6989 41.6327 176.3721 *138 V 3.9936 8.0492 119.1754 61.5131 33.6081 176.0964 *139 T 4.2236 8.1692 114.8611 61.1508 70.2871 174.5101 *140 K 4.1936 8.3092 125.6738 55.2573 33.7132 176.1705 *141 M 4.3536 8.2992 119.8088 55.0056 33.2722 175.7094 *142 N 4.6136 8.4192 118.6721 52.7696 39.7600 174.9239 *143 I 4.0713 7.9659 116.5966 59.6266 37.5443 175.6616 *144 G 3.7995 8.3492 112.2156 46.0978 0.0000 174.2930 *145 D 4.4219 8.3592 121.3555 53.9576 41.8091 175.6464 *146 H 4.6036 8.4392 118.6411 55.0068 29.9543 173.8239 *147 I 4.0436 8.0192 120.1021 60.6121 37.2834 176.1964 *148 T 4.2008 8.0676 112.7127 60.5403 70.2750 173.5736 *149 A 4.2102 8.2059 124.8097 51.9449 20.1785 177.0616 *150 G 3.7341 8.3492 109.2747 46.0978 0.0000 174.3951 *151 D 4.4219 8.3592 121.3555 53.6872 41.8091 175.9904 *152 I 4.0436 8.0192 119.8166 60.2325 37.4536 176.2101 *153 K 4.1936 8.3092 124.6196 54.9638 33.5184 176.2508 *154 L 4.2136 8.1792 121.7820 54.2152 42.8118 175.5159 *155 P 4.2936 0.0000 0.0000 62.5053 32.6816 176.8087 *156 E 4.2513 8.3859 114.8576 55.6523 31.6147 175.8616 *157 G 3.7995 8.3492 110.6917 46.2021 0.0000 174.3530 *158 C 4.3319 8.3392 119.4245 58.5127 29.9043 174.3628 *159 T 4.2236 8.1692 114.7073 61.1898 70.0306 174.3508 *160 L 4.1908 8.0776 121.6152 54.0045 42.9168 176.4736 *161 A 4.1597 8.1576 121.6762 51.9403 20.0919 176.6736 *162 A 4.1172 8.2592 123.1204 52.7157 20.2277 177.2951 *163 D 4.4483 8.3592 119.0930 53.1630 41.8647 174.3180 *164 P 4.2936 0.0000 0.0000 62.5053 32.7452 176.8087 *165 E 4.2236 8.4392 117.1635 56.2973 31.6147 176.2508 *166 L 4.2136 8.1792 121.7219 54.9946 42.9557 177.3964 *167 T 4.2236 8.1692 113.6971 61.2869 70.3833 174.7720 *168 V 3.9936 8.0492 121.4418 61.2696 33.6311 176.3721 *169 V 3.9936 8.0492 119.8512 61.3151 33.4484 176.1435 *170 S 4.3436 8.3292 119.0421 58.5846 64.1127 174.6721 *171 V 3.9936 8.0492 120.3550 61.1725 33.3488 175.9508 *172 L 4.2136 8.1792 122.7094 54.2152 42.7340 175.5159 *173 P 4.2936 0.0000 0.0000 62.3690 31.4002 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 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 E 8.41 4.04 0.00 1.81 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 *3 L 8.35 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 *4 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 *5 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 *6 K 8.31 4.13 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 *7 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 *8 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 *9 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 *10 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 *11 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 *12 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 *13 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 *14 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 *15 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 *16 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 *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 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 *20 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 *21 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 *22 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 *23 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 *24 Y 8.14 4.36 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 *25 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 *26 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 *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 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 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 *30 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 *31 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 *32 F 8.22 4.47 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 *33 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 *34 L 8.18 4.15 0.00 1.42 1.50 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 *35 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 *36 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 *37 K 8.21 4.17 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 *38 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 *39 F 8.32 4.43 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 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 *41 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 *42 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 *43 F 8.32 4.43 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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 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 *45 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 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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 *121 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 *122 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 *123 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 *124 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 *125 P 0.00 4.26 0.00 1.85 1.87 0.00 3.65 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 *126 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 *127 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 *128 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 *129 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 *130 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 *131 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 *132 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 *133 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 *134 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 *135 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 *136 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 *137 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 *138 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 *139 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 *140 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 *141 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 *142 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.72 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 *143 I 7.97 4.07 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 *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 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 *146 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 *147 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 *148 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 *149 A 8.21 4.21 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 *150 G 8.35 3.73 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 0.00 0.00 0.00 *151 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 *152 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 *153 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 *154 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 *155 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 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 *157 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 *158 C 8.34 4.33 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 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 *160 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 *161 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 *162 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 *163 D 8.36 4.45 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 *164 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 *165 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 *166 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 *167 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 *168 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 *169 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 *170 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 *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 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 *173 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.