NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2656 8.1744 115.2447 61.3590 69.0671 172.6414 5 S 4.6288 7.7405 113.3646 56.6847 65.3388 171.8145 6 D 4.6129 8.6983 122.2794 53.9190 42.0171 176.2928 7 L 3.8195 7.6436 121.6745 55.5108 42.2668 176.6832 8 I 3.9623 8.3214 127.3311 60.2819 37.5285 174.2384 9 P 4.4263 0.0000 0.0000 62.0146 31.9417 176.0920 10 A 3.1904 8.4348 123.8029 51.3962 18.7959 175.8492 11 P 4.2157 0.0000 0.0000 61.2870 32.3091 174.6524 12 P 4.2383 0.0000 0.0000 62.5504 31.9904 177.1469 13 L 3.3623 8.5564 121.1425 58.0352 41.6826 179.6198 14 S 4.1048 7.9649 113.1868 60.8699 62.8292 175.3036 15 K 4.1415 8.3447 119.1788 56.9453 32.4922 176.9489 16 V 4.1625 7.1822 119.0281 59.3514 31.7774 174.5851 17 P 4.4329 0.0000 0.0000 62.2593 32.0037 175.0722 18 L 4.4981 7.8959 119.6539 53.6265 44.6952 175.1323 19 Q 3.9001 8.8617 127.7653 56.7577 29.0832 176.9171 20 Q 3.8062 8.8842 124.3639 58.0455 29.3383 176.7243 *22 F 4.6099 7.7706 119.6017 58.1828 40.2783 174.3991 23 Q 4.2637 9.2074 128.9740 53.5595 28.4349 175.7362 24 D 4.7165 8.4045 123.3333 55.3425 39.5999 178.1829 25 N 4.8275 7.9788 114.7471 53.1436 37.3998 174.9265 26 Q 4.2573 8.2169 117.6693 55.4682 30.7486 175.1961 27 F 4.8542 8.2830 118.1355 60.2852 40.1046 174.9865 28 H 4.4875 7.6262 114.7301 55.8029 28.7649 172.7270 29 G 3.5363 8.9540 104.2340 43.8683 0.0000 171.8970 30 K 4.6293 7.9211 119.6870 54.9437 33.3547 176.6980 31 W 4.9315 8.8486 126.4538 55.0839 33.2432 173.7529 32 Y 4.7030 9.4140 121.5857 56.5829 39.8404 175.5394 33 V 4.2061 8.3142 124.3114 62.4544 30.3627 175.5071 34 V 4.0154 8.7445 129.5442 64.7323 32.9269 175.9862 35 G 3.8486 7.5781 105.8201 44.1224 0.0000 171.4665 36 L 5.3988 8.8535 124.3695 53.2085 45.6909 174.8856 37 A 5.1475 9.4773 127.4948 50.2580 23.1218 174.8443 38 G 3.9415 8.0422 106.0898 45.7575 0.0000 174.2594 39 N 4.3975 7.8622 117.6856 54.3377 37.4425 176.1057 40 R 4.4306 7.6518 116.0409 55.9336 31.5832 175.7998 41 I 4.0542 7.3704 120.5948 60.4736 37.8424 174.6194 42 L 4.9593 8.1450 124.3423 52.5455 44.5332 176.3524 43 R 3.9954 9.2487 126.7309 56.5358 30.8906 175.9313 44 D 4.6101 8.5987 125.3630 52.8167 42.9650 175.1733 45 D 4.4853 8.8952 125.5562 56.2669 41.0642 177.6065 46 Q 4.2970 8.4670 117.3300 57.1241 29.5606 176.1678 47 H 4.9070 8.2523 115.2183 53.5049 30.1103 171.4583 48 P 4.3979 0.0000 0.0000 62.9577 32.5464 176.2905 49 M 4.4507 8.3757 120.0175 54.8414 33.7070 175.0089 50 N 4.9134 8.6956 123.0731 53.1003 39.7014 174.7033 51 M 4.5525 8.8937 123.1896 56.0170 33.3860 174.5913 52 Y 5.1679 8.5213 121.1228 55.4066 42.6322 173.2486 53 A 5.1328 8.8683 120.0265 50.3861 22.9896 175.2661 54 T 4.9614 8.6697 115.3561 61.7971 72.7895 173.1360 55 I 4.7918 8.8432 127.0767 59.7037 40.2444 174.1452 56 Y 4.6316 9.3204 125.6392 56.5727 39.6476 174.7797 57 E 5.0329 9.0442 125.8089 54.1057 31.6888 175.6825 58 L 4.1365 8.7860 127.9202 55.1043 42.8379 177.0380 59 K 4.4638 9.2640 126.5928 54.8319 33.5911 177.5914 60 E 3.9577 8.7817 118.5158 59.6934 29.2652 177.6580 61 D 4.6436 7.9946 116.1543 53.0177 39.3701 177.3049 62 K 4.0128 8.0351 118.5221 56.8982 31.1391 176.3481 63 S 4.8317 8.4005 114.4918 58.1830 64.3323 171.9171 64 Y 5.3711 9.1852 119.8831 56.2838 41.1507 174.9902 65 N 4.6966 9.2628 121.2503 52.1144 40.4469 174.3267 66 V 4.2046 8.7703 125.7128 61.4105 33.3640 174.3346 67 T 4.9683 8.4746 125.6808 61.9277 71.0307 173.7476 68 S 5.0830 8.8645 122.5792 56.7233 65.7603 173.1910 69 V 4.1414 8.8310 124.9273 61.0877 33.4886 174.3411 70 I 4.9262 8.3270 128.2480 59.4781 41.1922 174.3334 71 S 5.1624 8.6235 120.1295 56.7027 63.7241 173.8078 72 S 4.2617 9.0569 122.7884 58.0798 64.5938 174.2317 73 H 3.9428 8.6818 120.0579 56.9923 27.8263 175.1606 *75 K 4.1658 7.5054 117.2051 56.2756 33.0855 174.8389 76 C 5.5275 8.6498 118.0534 55.2582 43.6722 173.1412 77 E 4.8418 9.4644 122.5308 54.8485 32.1094 174.3566 78 Y 5.1707 8.9387 122.6569 56.5144 39.7621 175.2978 79 T 4.8370 8.7024 113.6552 59.9686 72.5980 172.9003 80 I 5.1630 8.3146 122.1092 59.7788 41.1515 174.4526 81 A 4.7560 8.7997 125.2895 50.7808 23.3793 174.9523 82 T 4.9950 8.5369 115.6274 61.9407 71.4029 173.4959 83 F 5.5787 9.1721 126.3020 56.3802 40.5433 175.0815 84 V 4.5915 8.6559 125.0067 60.9711 32.9066 173.5228 85 P 4.2442 0.0000 0.0000 63.3665 31.4916 176.7489 86 G 4.1791 8.2638 113.5001 46.1615 0.0000 175.3260 87 S 4.3830 8.5983 116.6256 60.5697 63.6809 174.4916 88 Q 4.4020 7.3857 118.1877 53.0944 32.5673 171.4857 89 P 4.3628 0.0000 0.0000 67.3033 30.7558 176.4470 90 G 2.9499 8.2197 110.5734 44.3505 0.0000 171.0434 91 E 4.9595 7.9598 121.6741 54.3711 32.4381 174.6810 92 F 5.3322 9.0944 123.1883 56.3730 44.4250 173.5749 93 T 4.7323 9.4334 116.1348 60.5965 70.4443 172.3794 94 L 4.8479 8.4885 125.7118 52.9157 43.1133 176.3613 95 G 3.8918 8.9850 115.3756 47.7509 0.0000 172.6173 *105 S 4.4750 8.0496 114.4876 58.0940 63.7612 171.9123 106 Y 5.2057 8.4417 126.5423 56.3242 41.9207 173.3865 107 L 4.9698 8.1346 126.8675 53.4938 46.3555 174.9098 108 V 4.7178 8.4874 123.0993 61.2945 35.6536 174.5905 109 R 4.6730 8.3532 126.9973 55.0929 33.6412 174.0483 110 V 3.7123 8.4574 128.4051 63.1104 31.7109 176.7635 111 V 3.5137 9.0657 129.8377 65.6886 32.0221 176.2493 112 S 4.8184 7.3347 111.9553 57.8993 65.6456 173.6699 113 T 3.5304 9.1845 116.5127 62.0772 70.8086 172.2619 114 D 4.5343 7.2353 127.2190 52.7105 39.6159 177.3977 115 Y 4.0801 7.6330 114.7265 60.0408 37.1787 170.7616 116 N 5.0268 8.8156 114.8703 52.5443 40.2386 173.8687 117 Q 5.0488 8.4849 120.3082 56.8783 36.9400 173.8849 118 Y 6.1105 7.9151 114.0289 54.6163 42.4392 172.8391 119 A 4.5348 8.1165 116.4262 51.0582 22.5716 175.4735 120 V 5.2014 9.0443 122.2121 60.3475 34.1570 174.4136 121 V 4.6768 7.8688 126.9557 60.9429 34.6455 173.7240 122 F 5.2546 8.5682 129.5735 56.6038 41.5434 174.1903 123 F 4.8909 8.6225 124.5874 55.3338 42.4287 174.1598 124 K 4.3332 7.9764 123.5998 54.3604 35.7983 174.3412 125 L 5.0889 8.3162 129.2886 53.2356 44.4992 174.9444 126 A 4.9203 8.7090 127.9073 50.4181 21.8002 175.3487 127 E 3.6294 8.5918 116.0024 57.3514 26.9979 174.7298 *131 E 4.4119 8.0521 114.4788 56.1121 30.9002 174.5191 132 F 4.8829 8.1746 114.4425 57.5299 42.1158 171.9416 133 F 4.8782 8.5572 111.9267 56.0659 41.3075 173.1530 134 A 4.7341 8.8908 120.9173 51.2992 23.3570 175.1776 135 I 5.5076 9.6258 120.5481 59.8804 41.5714 174.9612 136 T 4.8918 9.1066 115.6290 59.7573 72.4434 172.7169 137 I 4.3515 7.8124 124.4215 59.4380 39.7655 174.1313 138 Y 5.1715 9.9414 128.1111 57.5762 39.7282 175.1721 139 G 4.6477 9.8041 109.3002 44.7682 0.0000 173.7531 140 R 4.0544 9.3256 125.0606 58.6923 30.6722 177.4236 141 T 4.5473 7.9013 107.7460 59.6728 70.8810 175.2462 142 K 4.1256 8.0898 120.0154 57.5196 32.0215 176.9097 143 E 4.7967 7.7490 118.0140 54.8891 33.6171 174.3111 144 L 4.9000 8.1635 120.2402 52.1667 45.8785 176.3317 145 A 4.0707 8.5377 122.9615 52.5968 18.7209 178.9735 146 S 4.3504 8.8972 117.8889 61.6879 62.6573 176.7232 147 E 4.2574 8.1068 121.2522 58.5881 29.3111 178.7216 148 L 3.8674 8.2693 119.8139 57.7701 41.7354 179.6406 149 K 4.3565 8.0408 117.8772 59.2258 32.1446 179.2253 150 E 4.0366 7.9111 119.3154 59.6353 29.4255 179.1528 151 N 4.4358 8.1963 116.3595 56.0916 38.5270 177.3422 152 F 4.4366 8.0940 122.2751 61.4348 39.4611 177.3209 153 I 3.4823 8.0549 119.4992 64.2668 36.8436 178.6864 154 R 3.9018 7.9855 118.8309 59.2156 29.6903 178.8799 155 F 4.4325 7.9273 120.7485 60.7190 39.6362 177.1043 156 S 3.9479 7.8727 114.7707 61.3313 62.1584 176.6915 157 K 4.6191 8.2544 122.6692 59.1071 31.3982 179.4538 158 S 4.1647 8.3436 114.4401 60.7790 62.3521 175.3729 159 L 4.4498 7.3340 120.9558 54.1930 41.6467 176.9700 160 G 3.8617 9.2210 107.9753 45.2016 0.0000 173.3448 161 L 4.4659 7.5943 120.3302 51.8952 42.7128 174.7408 162 P 4.7350 0.0000 0.0000 61.8617 32.6461 177.0956 163 E 4.0052 8.7508 117.9877 59.4750 29.4906 178.7841 164 N 4.6348 8.2000 114.0332 54.3406 37.9993 175.4042 165 H 5.6229 8.2682 115.8411 54.9161 29.1146 173.4993 166 I 5.0577 7.6059 119.6201 59.6688 40.0720 175.3872 167 V 4.6060 8.9473 119.1942 59.6040 36.1921 174.9534 168 F 4.9453 8.7173 120.9933 53.7917 40.5495 173.0157 169 P 4.5437 0.0000 0.0000 63.0958 32.1016 176.3393 170 V 3.8998 9.0923 124.4097 61.9209 32.6091 173.5719 171 P 4.7256 0.0000 0.0000 62.7887 31.6468 175.7102 172 I 4.6693 8.3570 116.5295 59.3034 40.6259 174.6819 173 D 5.1314 8.4076 118.0656 53.7723 42.3347 176.9107 174 Q 4.2887 7.9041 119.1762 56.1367 29.6428 178.0840 175 C 4.1988 8.9731 118.3322 57.5532 39.1409 173.7588 176 I 4.1312 7.4720 110.4991 60.7472 37.4307 175.8177 177 D 4.7079 7.5140 121.2766 54.5851 42.0519 176.6853 178 G 3.7702 7.7687 114.3012 45.8910 0.0000 172.2423 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 4 T 8.17 4.27 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 5 S 7.74 4.63 0.00 3.91 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 6 D 8.70 4.61 0.00 2.72 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 7 L 7.64 3.82 0.00 1.62 1.66 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.32 3.96 1.96 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 1.47 0.60 1.12 0.00 0.00 9 P 0.00 4.43 0.00 2.15 2.06 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 10 A 8.43 3.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.22 0.00 1.90 1.73 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 12 P 0.00 4.24 0.00 2.14 2.13 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 13 L 8.56 3.36 0.00 1.65 1.64 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.96 4.10 0.00 3.77 3.88 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 15 K 8.34 4.14 0.00 1.58 1.75 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 16 V 7.18 4.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.72 0.00 0.00 17 P 0.00 4.43 0.00 1.86 1.97 0.00 3.53 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 18 L 7.90 4.50 0.00 1.41 1.41 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.86 3.90 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 20 Q 8.88 3.81 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.27 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 *22 F 7.77 4.61 0.00 3.20 3.12 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 23 Q 9.21 4.26 0.00 1.28 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 24 D 8.40 4.72 0.00 3.12 3.40 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 25 N 7.98 4.83 0.00 2.85 2.95 0.00 0.00 5.71 7.39 0.00 0.00 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 Q 8.22 4.26 0.00 1.56 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 27 F 8.28 4.85 0.00 3.44 3.35 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 0.00 28 H 7.63 4.49 0.00 3.80 3.78 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.95 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.92 4.63 0.00 1.58 1.44 0.00 1.50 0.00 0.00 1.10 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.77 1.08 7.81 31 W 8.85 4.93 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.41 4.70 0.00 3.19 2.90 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 33 V 8.31 4.21 1.51 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 0.56 0.00 0.00 0.30 0.00 0.00 34 V 8.74 4.02 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 1.03 0.00 0.00 1.07 0.00 0.00 35 G 7.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.85 5.40 0.00 1.64 1.45 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.48 5.15 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 38 G 8.04 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 39 N 7.86 4.40 0.00 2.75 2.71 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 40 R 7.65 4.43 0.00 1.67 1.88 0.00 3.33 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 41 I 7.37 4.05 2.17 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.85 0.92 0.00 0.00 42 L 8.14 4.96 0.00 1.41 1.48 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.25 4.00 0.00 1.95 1.98 0.00 3.67 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 D 8.60 4.61 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.49 0.00 2.73 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 Q 8.47 4.30 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.23 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 47 H 8.25 4.91 0.00 3.02 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.40 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 49 M 8.38 4.45 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 50 N 8.70 4.91 0.00 2.68 2.78 0.00 0.00 6.98 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 51 M 8.89 4.55 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.67 0.00 52 Y 8.52 5.17 0.00 3.21 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 53 A 8.87 5.13 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 54 T 8.67 4.96 4.14 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 0.85 0.00 0.00 55 I 8.84 4.79 1.78 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 1.09 0.68 0.87 0.00 0.00 56 Y 9.32 4.63 0.00 2.73 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 92 F 9.09 5.33 0.00 2.83 3.03 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 0.00 0.00 0.00 93 T 9.43 4.73 4.30 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 1.38 0.00 0.00 94 L 8.49 4.85 0.00 1.81 1.65 0.93 0.97 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 95 G 8.99 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 *105 S 8.05 4.48 0.00 3.98 3.96 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 0.00 0.00 0.00 106 Y 8.44 5.21 0.00 3.02 2.79 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 0.00 107 L 8.13 4.97 0.00 1.67 1.28 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.49 4.72 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.54 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.35 0.00 4.03 4.14 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 0.00 147 E 8.11 4.26 0.00 2.04 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 2.38 2.39 0.00 148 L 8.27 3.87 0.00 1.81 1.61 1.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.04 4.36 0.00 1.80 2.04 0.00 1.54 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.73 1.75 7.81 150 E 7.91 4.04 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 151 N 8.20 4.44 0.00 2.91 2.86 0.00 0.00 6.71 8.13 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 0.00 152 F 8.09 4.44 0.00 3.03 3.34 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 0.00 0.00 0.00 0.00 153 I 8.05 3.48 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.04 0.92 0.00 0.00 154 R 7.99 3.90 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 155 F 7.93 4.43 0.00 2.99 3.28 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 0.00 156 S 7.87 3.95 0.00 3.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.25 4.62 0.00 1.91 1.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.45 7.81 158 S 8.34 4.16 0.00 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.33 4.45 0.00 1.72 1.64 0.41 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 160 G 9.22 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.59 4.47 0.00 1.77 1.54 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.73 0.00 2.24 2.21 0.00 3.67 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 2.31 2.03 0.00 163 E 8.75 4.01 0.00 2.07 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 0.00 2.42 2.32 0.00 164 N 8.20 4.63 0.00 2.82 3.04 0.00 0.00 6.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.27 5.62 0.00 3.35 3.40 0.00 5.56 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 0.00 166 I 7.61 5.06 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.76 0.00 0.00 167 V 8.95 4.61 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 0.78 0.00 0.00 0.97 0.00 0.00 168 F 8.72 4.95 0.00 2.94 3.08 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 0.00 0.00 0.00 0.00 169 P 0.00 4.54 0.00 2.17 2.31 0.00 3.82 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 2.18 2.20 0.00 170 V 9.09 3.90 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 1.05 0.00 0.00 0.98 0.00 0.00 171 P 0.00 4.73 0.00 1.96 1.93 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 172 I 8.36 4.67 1.89 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 1.47 0.72 1.01 0.00 0.00 173 D 8.41 5.13 0.00 2.67 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 0.00 174 Q 7.90 4.29 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 5.90 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 175 C 8.97 4.20 0.00 3.15 3.24 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 0.00 176 I 7.47 4.13 2.27 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 1.04 0.00 0.00 177 D 7.51 4.71 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 178 G 7.77 3.77 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.