NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4491 8.1844 122.4926 54.5251 43.1562 176.1183 1 V 3.6523 8.3516 127.0230 62.6799 31.9880 173.9529 2 K 4.5220 8.9591 124.9944 55.9798 36.2492 174.7577 3 K 4.8400 8.1245 121.2103 54.5874 34.6239 174.7112 4 V 4.9132 8.8250 128.0000 60.9327 34.8014 173.7741 5 L 5.1044 9.0085 129.8895 53.2000 44.4752 174.6869 6 L 4.9646 8.9912 129.7145 54.6341 43.5730 175.2307 7 I 5.2907 8.9303 127.0730 59.6295 40.5349 174.1815 8 N 5.4472 9.1396 123.8839 51.7238 41.6104 175.2253 9 G 4.1953 8.7515 113.9772 43.8026 0.0000 171.3051 10 P 4.3879 0.0000 0.0000 64.6320 31.5722 176.7650 11 N 4.6630 9.6730 118.1728 53.7378 38.1750 176.7354 12 L 4.0339 7.6146 117.7049 57.1365 41.7854 178.8412 13 N 4.3252 8.1285 115.0331 55.0880 37.3461 175.4578 14 L 4.3745 8.0985 118.7561 54.5352 42.4257 176.2148 15 L 4.4577 7.7041 121.5197 55.2426 41.1499 176.4361 16 G 4.2107 7.7928 109.4297 43.9746 0.0000 172.5535 17 T 4.1392 8.9506 115.2567 62.4987 69.8153 176.8670 18 R 3.9546 7.7646 122.0852 58.7570 30.5740 176.4459 *23 Y 4.4563 7.6955 115.1371 56.6795 40.4088 174.3383 24 G 4.2243 7.6370 107.4423 44.3112 0.0000 174.7872 25 T 4.0018 8.2814 106.2469 62.3666 66.9775 174.3818 26 T 4.0876 8.4052 121.3692 64.0877 68.5164 174.6573 27 S 5.4240 8.5726 123.7813 55.9121 66.3808 174.9728 28 L 3.8341 8.1873 122.4721 58.3436 41.7615 178.3114 29 S 4.3045 8.0258 113.8603 60.9759 62.0518 175.4931 30 D 4.3352 7.7554 120.6904 57.5610 40.5483 178.6296 31 I 3.6042 7.4802 119.6535 64.6869 37.0331 178.2696 32 E 3.8499 8.0353 118.8311 59.5625 29.3008 179.4506 33 Q 4.0593 8.1640 117.7276 58.9492 28.6873 178.9400 34 A 3.9805 8.2464 121.6386 54.9910 17.9991 179.2005 35 A 3.9313 8.1518 119.4133 55.5127 18.4733 179.4990 36 I 3.6811 8.1229 118.1569 65.0237 37.2401 178.5119 37 E 4.0064 8.6479 119.2708 59.1136 28.7437 178.9677 38 Q 3.9570 8.3457 119.9687 59.3386 29.0659 178.7048 39 A 3.9830 7.7888 120.6671 55.2379 18.4935 179.4922 40 K 3.8992 7.9742 117.0173 59.9060 32.0415 179.1635 41 L 4.0915 7.9826 116.9777 57.0835 41.5272 179.3009 42 K 4.0479 8.3769 118.4597 56.7258 32.7304 176.1582 43 N 4.2408 8.2196 116.9477 54.3534 37.6034 173.4486 44 N 4.9531 7.5605 108.0596 53.0622 38.6089 174.1681 45 D 4.3199 8.2546 113.6181 56.7027 38.2767 173.4057 46 S 4.8664 7.4979 113.6495 57.8847 65.3003 175.0981 47 E 4.7170 9.1762 121.7039 54.7188 33.5071 174.0984 48 V 4.7983 8.3625 125.1135 61.1874 33.4772 174.9077 49 L 4.5572 8.9278 128.7828 54.3614 43.2691 176.4609 50 V 5.0447 8.2170 113.9922 59.8750 35.2831 174.8559 51 F 5.0147 9.0517 125.0539 57.1211 43.1288 172.7275 52 Q 5.2181 7.6292 124.6238 53.7408 32.2424 173.4095 53 S 4.4985 8.1915 117.2339 57.8995 65.2162 173.4783 54 N 4.6747 8.7955 118.8375 53.8703 39.8939 176.0737 55 T 4.1111 7.7528 116.4810 62.4294 69.2244 174.3132 56 E 3.6987 8.9070 127.3626 59.6640 29.4336 178.9677 57 G 3.7298 7.9285 104.6511 48.0554 0.0000 175.2888 58 F 4.6472 8.0468 119.4120 60.6142 39.0376 177.5975 59 I 4.0022 8.0298 119.2656 64.4731 36.8048 178.6178 60 I 3.5965 7.9006 120.5699 64.4155 36.8896 177.8195 61 D 4.2483 8.7393 120.6273 57.7324 40.6321 179.3984 62 R 3.5299 7.9612 118.9918 59.2420 29.6774 178.6047 63 I 3.6312 7.5712 118.8630 64.5201 37.4276 177.6651 64 H 4.2731 8.3993 117.3004 58.9833 28.6010 177.0414 65 E 3.8007 8.2886 120.9044 59.6198 29.3501 178.7394 66 A 4.0993 8.1467 120.6191 55.2120 18.2294 179.5630 67 K 3.8413 7.9747 117.5923 59.9182 32.1598 179.0642 68 R 3.8679 8.0374 116.2377 59.5381 30.0282 177.4594 69 Q 4.1614 7.9891 113.8437 55.6206 28.8430 176.2737 70 G 3.9197 8.3328 106.2468 46.1413 0.0000 174.2299 71 V 3.6900 7.9858 119.8724 62.8487 31.7324 176.0319 72 G 4.1806 8.7396 113.6056 46.5871 0.0000 173.0013 73 F 4.9168 7.8525 121.3123 57.0575 43.1982 172.6276 74 V 5.0063 8.2377 123.5033 61.1428 34.7698 174.1444 75 V 4.9344 8.7598 127.8206 61.3520 33.5980 174.1034 76 I 5.0711 8.9949 128.0257 59.2421 41.5699 173.2931 77 N 5.4183 9.8575 128.0590 51.1593 40.6958 174.3267 78 A 4.4124 8.8224 128.9036 51.3693 20.5307 178.1012 79 G 3.6462 8.3931 106.3923 45.8856 0.0000 176.3669 80 A 4.1462 8.5547 121.1006 55.5764 18.1554 178.7914 81 Y 4.6958 7.8455 115.7380 60.2498 37.7461 178.4558 82 T 4.0481 8.0536 117.5447 66.6149 68.3003 175.3936 83 H 4.8195 8.2574 116.2907 56.6762 29.6252 175.9809 84 T 4.5970 7.9899 109.2702 61.4868 71.1136 173.0818 85 S 4.6420 8.5212 117.9192 56.4172 61.5161 174.2207 86 V 3.3637 7.7201 127.8823 65.2280 31.1735 177.4657 87 G 3.5955 7.8727 105.1715 47.9690 0.0000 175.3618 88 I 3.6062 8.1918 122.8974 63.8809 37.0295 178.4497 89 R 3.7859 7.4753 118.2470 59.7110 29.9441 178.4238 90 D 4.3189 8.5612 118.5983 56.9099 40.7010 178.7753 91 A 3.9836 8.0561 121.8541 55.1855 18.4407 179.7064 92 L 3.8850 7.9495 117.6554 57.8403 41.3796 179.7900 93 L 4.1622 8.0377 118.4479 57.6715 41.6129 179.4852 94 G 3.7080 8.0215 105.2151 47.5228 0.0000 175.1328 95 T 4.2156 7.9134 109.3040 60.6665 69.5584 174.5228 96 A 3.6578 7.7186 123.5222 53.4091 16.3871 177.2886 97 I 4.2953 7.7319 120.6136 60.4934 38.6712 174.4887 98 P 4.4414 0.0000 0.0000 63.0068 32.5796 175.1180 99 F 5.4955 7.3212 114.2352 56.1012 41.5943 172.6425 100 I 4.8129 8.5335 120.0395 59.5211 40.7400 174.0157 101 E 4.8481 9.0064 128.2274 55.4452 30.8850 174.8828 102 V 4.7467 8.9916 127.4482 61.4094 34.3918 173.9177 103 H 4.8118 8.8043 123.9000 54.0165 31.6621 174.3201 104 I 3.7389 8.7449 124.5907 64.2284 37.9012 176.4948 105 T 4.5685 7.6789 109.2468 59.4623 71.0474 173.8458 106 N 4.4984 8.3055 120.0567 52.8136 38.1246 175.5199 107 V 3.5552 8.1868 120.6538 64.6365 31.7797 178.2788 108 H 4.1656 7.8923 115.0055 57.5286 28.4226 175.9410 109 Q 4.3649 7.8286 117.6284 56.2250 29.6140 176.2992 110 R 4.7732 7.6639 118.9226 55.0696 31.7612 175.1806 111 E 3.9653 8.2453 120.5360 56.5526 30.2324 175.9448 112 P 3.4586 0.0000 0.0000 65.3630 31.9142 178.4336 113 F 4.1848 7.9731 112.5493 59.5038 37.7277 177.1372 114 R 3.5879 7.3290 119.5042 58.0339 30.0349 177.4500 115 H 4.3629 7.7048 114.6091 57.8362 28.9105 175.6397 116 Q 4.3812 7.3545 117.4486 54.8206 29.5568 175.1723 117 S 4.8529 8.1330 115.3451 56.8899 65.3699 173.2764 118 Y 4.5099 9.2529 123.7454 58.6849 38.2742 176.1396 119 L 4.7580 8.1866 120.3556 55.8546 43.3976 178.9258 120 S 4.2230 8.2854 114.9924 61.5286 62.8128 175.5774 121 D 4.5973 8.0691 116.7574 54.3091 39.6848 176.6415 122 K 4.4308 8.0593 117.8088 55.9695 33.2094 176.1328 123 A 2.9031 7.2245 122.4216 51.0774 19.0419 178.1581 124 V 3.7713 8.0864 120.5394 65.9328 32.2170 176.0169 125 A 4.5290 7.3146 119.2037 50.8557 22.7723 175.4192 126 V 4.7081 8.1000 118.3255 61.3696 34.3842 174.5943 127 I 4.5641 8.6067 129.6457 59.6923 39.1514 174.6894 128 C 4.9840 8.6129 121.5262 57.6077 32.2020 174.2265 129 G 4.1110 9.0743 111.6406 45.1558 0.0000 173.2860 130 L 4.3482 7.7995 118.7728 54.1609 42.6749 178.1422 131 G 3.9369 7.8465 106.4379 45.9529 0.0000 174.5246 132 V 3.9242 8.3532 110.5685 64.2174 31.5491 177.4218 133 Y 4.5274 8.4033 119.3180 60.5416 38.4559 178.2302 134 G 3.4106 8.2091 106.9742 47.8435 0.0000 175.3065 135 Y 4.1461 7.8614 118.8954 61.2516 37.7811 178.7965 136 T 4.1868 8.0981 117.3539 65.9025 68.6264 176.5242 137 A 3.7536 7.6964 122.5145 54.9116 18.3661 179.2917 138 A 3.9433 7.7566 119.3315 55.6882 18.4276 179.9933 139 I 3.7143 7.7989 118.0730 64.5084 36.8995 178.5269 140 E 3.9479 8.2527 118.9441 59.4225 29.5733 178.4700 141 Y 3.9824 8.0026 119.3156 60.4571 38.7808 177.8740 142 A 2.8059 8.1324 121.9757 54.8701 18.3091 179.3728 143 L 4.1639 7.7133 114.4375 56.3458 41.6404 178.1445 144 N 4.7531 7.4932 115.6011 51.9138 39.5428 173.2196 145 Y 4.4420 7.1173 122.6641 55.4775 40.4667 174.8755 146 Q 4.2870 8.0659 126.3131 55.4242 29.3630 176.1533 147 L 4.2593 8.8326 122.0172 55.3838 41.6085 177.1529 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 0 L 8.18 4.45 0.00 1.59 1.65 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.35 3.65 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.20 0.00 0.00 2 K 8.96 4.52 0.00 1.74 1.94 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.41 7.81 3 K 8.12 4.84 0.00 1.87 1.69 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.48 7.81 4 V 8.82 4.91 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 1.13 0.00 0.00 0.96 0.00 0.00 5 L 9.01 5.10 0.00 1.79 1.53 1.02 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.99 4.96 0.00 1.85 1.66 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.93 5.29 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 1.09 0.00 0.00 8 N 9.14 5.45 0.00 2.66 2.69 0.00 0.00 6.55 7.14 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 9 G 8.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.39 0.00 1.93 1.85 0.00 3.66 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 11 N 9.67 4.66 0.00 2.87 3.07 0.00 0.00 6.93 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.61 4.03 0.00 1.90 1.73 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.13 4.33 0.00 2.79 3.06 0.00 0.00 6.03 7.79 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 14 L 8.10 4.37 0.00 1.82 1.71 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.70 4.46 0.00 1.80 1.81 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.95 4.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 18 R 7.76 3.95 0.00 1.77 1.97 0.00 3.29 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 *23 Y 7.70 4.46 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.64 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.28 4.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 26 T 8.41 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 27 S 8.57 5.42 0.00 4.14 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.19 3.83 0.00 1.90 1.66 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.03 4.30 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.76 4.34 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.48 3.60 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.08 0.00 0.00 32 E 8.04 3.85 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 33 Q 8.16 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 34 A 8.25 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.15 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.12 3.68 2.03 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 1.63 0.82 0.92 0.00 0.00 37 E 8.65 4.01 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 38 Q 8.35 3.96 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 39 A 7.79 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.97 3.90 0.00 1.98 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.54 7.81 41 L 7.98 4.09 0.00 1.86 1.74 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.38 4.05 0.00 1.81 1.87 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.64 1.58 7.81 43 N 8.22 4.24 0.00 2.79 2.83 0.00 0.00 6.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.56 4.95 0.00 2.78 2.80 0.00 0.00 6.46 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 45 D 8.25 4.32 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.50 4.87 0.00 3.76 3.79 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 0.00 0.00 0.00 47 E 9.18 4.72 0.00 1.99 1.73 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 2.22 2.26 0.00 48 V 8.36 4.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 49 L 8.93 4.56 0.00 1.78 1.60 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.22 5.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.05 5.01 0.00 3.07 2.83 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 52 Q 7.63 5.22 0.00 1.90 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.03 0.00 53 S 8.19 4.50 0.00 3.61 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 54 N 8.80 4.67 0.00 2.73 2.81 0.00 0.00 6.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.75 4.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 56 E 8.91 3.70 0.00 1.35 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.71 0.00 57 G 7.93 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 58 F 8.05 4.65 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.03 4.00 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.07 1.04 0.00 0.00 60 I 7.90 3.60 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.74 0.00 0.00 61 D 8.74 4.25 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.96 3.53 0.00 0.85 1.60 0.00 2.69 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.35 0.00 63 I 7.57 3.63 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.88 0.00 0.00 64 H 8.40 4.27 0.00 3.24 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.29 3.80 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 66 A 8.15 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.97 3.84 0.00 1.90 2.00 0.00 1.55 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.51 7.81 68 R 8.04 3.87 0.00 1.90 1.99 0.00 3.40 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 69 Q 7.99 4.16 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 70 G 8.33 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.99 3.69 2.18 0.00 0.00 0.00 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 0.95 0.00 0.00 72 G 8.74 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.85 4.92 0.00 3.06 2.83 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 74 V 8.24 5.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 75 V 8.76 4.93 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.11 0.00 0.00 76 I 8.99 5.07 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.53 1.04 0.00 0.00 77 N 9.86 5.42 0.00 2.76 2.88 0.00 0.00 6.93 8.49 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 78 A 8.82 4.41 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.39 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.55 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.85 4.70 0.00 3.14 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.05 4.05 3.93 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 1.31 0.00 0.00 83 H 8.26 4.82 0.00 3.35 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.99 4.60 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 85 S 8.52 4.64 0.00 3.63 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.72 3.36 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 0.78 0.00 0.00 -0.01 0.00 0.00 87 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.19 3.61 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.81 0.00 0.00 89 R 7.48 3.79 0.00 2.18 2.07 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 90 D 8.56 4.32 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 91 A 8.06 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.95 3.88 0.00 1.40 1.51 -0.14 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.04 4.16 0.00 1.75 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.02 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 95 T 7.91 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 96 A 7.72 3.66 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.73 4.30 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.86 0.00 0.00 98 P 0.00 4.44 0.00 1.14 1.98 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 99 F 7.32 5.50 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.53 4.81 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.91 0.00 0.00 101 E 9.01 4.85 0.00 2.27 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 102 V 8.99 4.75 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 0.23 0.00 0.00 0.82 0.00 0.00 103 H 8.80 4.81 0.00 3.02 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.74 3.74 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.94 0.00 0.00 105 T 7.68 4.57 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 1.23 0.00 0.00 106 N 8.31 4.50 0.00 2.73 2.97 0.00 0.00 6.87 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 0.00 107 V 8.19 3.56 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.56 0.00 0.00 108 H 7.89 4.17 0.00 3.23 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.83 4.36 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 110 R 7.66 4.77 0.00 1.56 1.64 0.00 3.12 0.00 0.00 3.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 111 E 8.25 3.97 0.00 1.23 1.73 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 2.49 2.35 0.00 112 P 0.00 3.46 0.00 2.12 2.05 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 113 F 7.97 4.18 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.33 3.59 0.00 1.47 1.67 0.00 2.95 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.76 0.00 115 H 7.70 4.36 0.00 3.10 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.35 4.38 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 117 S 8.13 4.85 0.00 3.82 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 0.00 118 Y 9.25 4.51 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.76 0.00 1.89 2.09 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.29 4.22 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.07 4.60 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.43 0.00 1.96 1.96 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.59 7.81 123 A 7.22 2.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.77 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 0.85 0.00 0.00 0.88 0.00 0.00 125 A 7.31 4.53 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.10 4.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 127 I 8.61 4.56 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.41 0.82 0.00 0.00 128 C 8.61 4.98 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.07 4.11 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 0.00 0.00 0.00 130 L 7.80 4.35 0.00 1.59 1.68 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.35 3.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 133 Y 8.40 4.53 0.00 3.04 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.21 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.86 4.15 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 137 A 7.70 3.75 0.93 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 0.00 0.00 138 A 7.76 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.80 3.71 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 0.96 0.00 0.00 140 E 8.25 3.95 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 141 Y 8.00 3.98 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.13 2.81 0.90 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 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.71 4.16 0.00 1.64 1.70 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.49 4.75 0.00 2.66 2.63 0.00 0.00 6.76 6.76 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 0.00 145 Y 7.12 4.44 0.00 2.79 2.74 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 0.00 146 Q 8.07 4.29 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 147 L 8.83 4.26 0.00 1.66 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.