NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0040 8.3549 109.7296 45.7165 0.0000 175.3508 17 I 3.5796 7.3771 120.0105 63.2721 37.2948 175.5094 18 T 4.1158 8.0091 117.2880 62.5710 69.9387 174.1313 19 G 3.6717 7.7665 113.7219 46.2562 0.0000 169.8041 20 T 4.8535 7.4018 116.0887 61.6153 70.6197 173.9152 21 W 4.9134 8.7199 126.0699 54.9998 32.9692 174.4080 22 Y 5.5994 9.1558 119.6614 56.5433 41.5203 175.3574 23 N 5.3959 9.1780 120.6343 50.6261 40.0106 175.5861 24 Q 4.1283 8.7090 115.6058 58.3680 28.8885 176.6252 25 L 4.5055 7.8677 117.7785 54.6889 41.1751 176.9233 26 G 4.2722 8.0514 113.8294 43.8633 0.0000 174.3904 27 S 3.6944 6.7717 109.1840 53.0373 63.5632 172.8995 28 T 5.0443 8.1543 121.6067 62.0578 70.4932 173.5411 29 F 5.0208 9.3576 125.6073 55.6060 42.1110 174.4238 30 I 4.8635 9.0138 125.2738 59.5766 39.1023 174.9545 31 V 4.7611 8.5510 127.0640 59.9447 34.5030 174.6837 32 T 4.7722 8.6679 120.0469 61.7153 70.9657 172.9844 33 A 4.3252 9.8546 129.8237 50.8906 20.1560 176.6481 34 G 4.2603 9.0215 109.4497 44.3029 0.0000 174.9910 35 A 4.2759 8.8609 124.9807 54.3802 18.6442 178.0197 36 D 4.7126 8.1302 114.6702 54.2972 41.2506 177.6119 37 G 3.3636 8.1302 107.1787 45.0466 0.0000 173.8792 38 A 4.8111 7.5909 121.2991 51.0596 20.9415 176.1709 39 L 5.2232 8.8870 121.4537 53.5146 45.2145 175.6002 40 T 4.9493 8.8615 115.5796 59.8108 72.7906 174.4947 41 G 4.5491 7.4178 107.9851 46.2936 0.0000 171.2320 42 T 5.1011 7.4150 108.6380 60.1932 72.7396 172.2034 43 Y 4.5665 9.0312 125.7637 56.3548 40.4721 174.3199 44 E 5.3522 8.7125 125.3042 53.7088 32.9051 176.7795 *50 A 4.1339 8.5622 122.8464 51.9622 20.3102 177.4730 51 E 3.7489 7.7327 111.2942 56.7899 30.1182 176.8983 52 S 4.7393 7.6137 115.8569 58.3492 63.9400 172.4884 53 R 4.9289 7.5186 120.0820 54.9236 31.6673 174.6926 54 Y 4.8852 8.9562 122.5095 55.9627 42.6660 174.7887 55 V 4.1947 8.6139 122.6482 62.7747 32.5164 175.0511 56 L 5.1292 8.6648 127.4909 54.2818 43.4880 175.2372 57 T 4.8469 8.7304 115.4434 60.9088 71.3342 172.8881 58 G 4.7795 8.9674 114.1514 46.0212 0.0000 171.5679 59 R 5.5816 9.1576 117.6964 54.8906 34.7031 174.2651 60 Y 5.1837 8.7961 118.5808 55.6828 42.1195 174.4922 61 D 4.3251 8.8751 119.9698 53.7831 40.2915 176.3961 62 S 4.3817 7.9993 120.2163 58.5757 63.8675 174.6459 63 A 4.6844 7.8727 123.2297 50.1709 18.4922 174.2373 64 P 4.9964 0.0000 0.0000 60.7370 32.8647 177.3591 65 A 4.1793 8.4095 122.5861 52.9661 18.7753 177.4695 66 T 4.5892 8.3261 109.9054 61.7412 69.2359 174.5751 67 D 4.6553 8.1341 119.4201 54.2979 39.4642 176.9037 68 G 3.9962 8.3250 106.7919 45.5712 0.0000 174.1881 69 S 4.3295 7.6337 114.4476 57.6691 63.0573 173.9574 70 G 3.9629 8.3619 113.1588 46.3143 0.0000 173.0466 71 T 4.6745 9.1250 118.3925 61.9000 69.9978 174.5652 72 A 4.7539 8.6928 129.5507 52.1756 19.7246 175.9590 73 L 5.1514 9.4073 121.6031 55.0355 44.7188 174.7997 74 G 4.5757 8.9964 105.3980 45.1856 0.0000 172.1755 75 W 6.0461 8.7790 119.0061 55.3827 32.7119 173.5393 76 T 5.3997 9.4390 116.1049 61.9171 72.4372 173.5185 77 V 4.6192 9.1009 124.0317 61.1336 34.7124 173.7950 78 A 4.5024 8.4203 129.7179 49.6352 20.4206 177.7470 79 F 3.9176 8.2219 125.1846 56.5596 38.0584 175.4439 80 K 5.3263 7.6793 120.5824 54.6785 35.6901 174.7514 81 N 4.9737 8.8649 121.9427 52.1562 39.4902 173.6549 82 N 4.3754 8.8517 113.6660 55.8494 39.0811 175.3530 83 Y 4.3569 9.2188 115.9650 58.9447 39.3188 176.0456 84 R 4.8179 8.0744 116.5196 54.3744 33.9435 174.0922 85 N 5.1479 8.5357 117.3649 52.6938 41.2143 173.9042 86 A 4.4007 8.7793 127.9560 51.5184 20.0866 175.8875 87 H 4.2045 8.6862 113.5612 56.0046 26.9975 174.1777 88 S 5.1545 7.4776 110.5199 57.4685 66.5694 173.8380 89 A 5.1211 9.3575 122.5419 50.6541 22.9703 175.0347 90 T 5.0215 8.6662 116.2230 61.7637 72.2927 173.2041 91 T 5.0793 8.5690 115.7947 59.7002 71.7981 173.0467 92 W 5.0849 9.1175 124.4757 54.8679 32.3636 174.5444 93 S 4.8718 8.8114 118.4876 56.7600 65.0118 172.6073 94 G 4.4752 8.3811 113.5816 47.1886 0.0000 171.6893 95 Q 5.2247 8.0406 118.9691 54.6862 34.0244 173.4333 96 Y 4.5786 9.1656 124.5645 57.2544 40.4161 174.4238 97 V 4.2539 8.9578 128.4543 61.0139 32.6124 175.5340 98 G 3.3910 7.5343 115.4683 44.5684 0.0000 168.9051 99 G 4.0405 8.9197 103.7678 44.0544 0.0000 174.2510 100 A 4.1330 8.8989 122.3232 54.7914 18.7701 177.8863 101 E 4.5468 7.6093 114.8464 52.9668 29.4531 173.6409 102 A 4.1130 7.9033 122.4011 51.9482 19.4798 177.3421 103 R 5.3322 8.9447 117.8554 55.1913 33.7685 173.9926 104 I 4.8814 8.6111 121.2267 59.7897 40.2415 174.2052 105 N 5.3451 8.7206 125.3435 52.1762 40.2710 174.5863 106 T 5.2295 9.5192 113.1898 60.2413 73.2511 172.5215 107 Q 5.1328 9.1502 121.2884 53.8752 32.1545 174.8982 108 W 5.3993 8.9086 119.6863 54.6278 32.3922 173.9852 109 L 5.2340 8.6225 120.1038 53.0473 44.7518 175.1752 110 L 5.0130 9.2160 126.7669 53.6527 44.2686 175.0306 111 T 5.1198 9.1077 123.2105 61.9682 71.4436 173.5915 112 S 5.1586 8.4963 121.3893 56.3901 65.8205 174.2343 113 G 3.9061 8.4524 110.2558 46.5302 0.0000 173.2855 114 T 4.8080 8.2812 113.4002 59.2927 72.4688 173.3455 115 T 4.0529 8.1690 111.7980 62.0200 69.6334 173.8018 116 E 4.8167 8.1736 122.7008 53.9847 28.2574 174.0853 117 A 4.7392 7.7447 122.1254 52.7547 26.3000 177.3468 118 N 4.7604 8.0615 110.9995 52.8096 39.1879 176.5300 119 A 4.1045 8.4182 121.9504 54.0789 18.4808 179.3065 120 W 4.4101 8.3043 111.9774 58.3520 28.4827 176.6261 121 K 4.1140 6.6108 118.9593 56.1113 32.2168 176.7641 122 S 4.4454 7.7966 114.0597 60.2543 64.8339 173.3645 123 T 5.0404 7.6494 116.9374 61.9379 71.1535 173.2975 124 L 4.7922 9.0117 127.3324 53.3694 44.0148 176.1680 125 V 4.3333 7.6363 120.4032 60.1910 34.6778 174.8137 126 G 3.2561 6.2897 107.2277 45.9552 0.0000 171.4485 127 H 5.4497 8.3210 113.8986 53.9466 31.8197 172.6773 128 D 5.1422 9.4780 119.1308 53.0214 45.4417 174.5065 129 T 5.0382 8.7541 117.9743 61.8222 71.9205 172.8913 130 F 5.4293 9.6277 125.5654 55.9467 41.9591 174.8237 131 T 5.4044 8.9254 111.9282 59.9848 72.2283 174.7458 132 K 4.3005 8.6095 119.5419 56.3128 32.6087 177.5146 133 V 3.7926 7.3602 123.4142 63.0766 31.3653 175.4131 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 16 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.58 1.42 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.06 0.50 0.00 0.00 18 T 8.01 4.12 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 1.18 0.00 0.00 19 G 7.77 3.67 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 0.00 0.00 0.00 20 T 7.40 4.85 4.02 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 0.00 0.00 0.83 0.00 0.00 21 W 8.72 4.91 0.00 3.06 3.13 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 22 Y 9.16 5.60 0.00 2.99 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 23 N 9.18 5.40 0.00 2.49 2.68 0.00 0.00 6.63 6.41 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 24 Q 8.71 4.13 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.42 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 25 L 7.87 4.51 0.00 1.92 1.77 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.05 4.27 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 0.00 0.00 0.00 27 S 6.77 3.69 0.00 4.20 3.37 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 28 T 8.15 5.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 29 F 9.36 5.02 0.00 2.61 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 30 I 9.01 4.86 1.79 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 1.21 0.55 0.84 0.00 0.00 31 V 8.55 4.76 1.67 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 0.57 0.00 0.00 0.72 0.00 0.00 32 T 8.67 4.77 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 1.18 0.00 0.00 33 A 9.85 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.28 1.31 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 0.00 0.00 36 D 8.13 4.71 0.00 2.67 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 37 G 8.13 3.36 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 0.00 38 A 7.59 4.81 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 39 L 8.89 5.22 0.00 1.91 1.50 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.86 4.95 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 1.21 0.00 0.00 41 G 7.42 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.41 5.10 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 1.18 0.00 0.00 43 Y 9.03 4.57 0.00 2.72 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 44 E 8.71 5.35 0.00 1.76 1.72 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 0.00 2.13 2.08 0.00 *50 A 8.56 4.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 3.75 0.00 1.82 1.13 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 2.02 2.20 0.00 52 S 7.61 4.74 0.00 3.90 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 53 R 7.52 4.93 0.00 1.67 1.68 0.00 3.37 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 54 Y 8.96 4.89 0.00 2.96 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 55 V 8.61 4.19 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 0.80 0.00 0.00 0.94 0.00 0.00 56 L 8.66 5.13 0.00 1.91 1.67 0.29 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.73 4.85 4.27 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 1.27 0.00 0.00 58 G 8.97 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.16 5.58 0.00 1.74 1.81 0.00 3.32 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 60 Y 8.80 5.18 0.00 3.08 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 61 D 8.88 4.33 0.00 2.82 2.69 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 62 S 8.00 4.38 0.00 3.90 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 63 A 7.87 4.68 1.21 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 64 P 0.00 5.00 0.00 2.27 2.16 0.00 3.44 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.41 4.18 1.35 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 0.00 0.00 66 T 8.33 4.59 4.27 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 1.24 0.00 0.00 67 D 8.13 4.66 0.00 2.79 2.80 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 68 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.63 4.33 0.00 4.17 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 70 G 8.36 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 0.00 0.00 0.00 71 T 9.12 4.67 4.50 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 1.48 0.00 0.00 72 A 8.69 4.75 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 73 L 9.41 5.15 0.00 1.84 1.89 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.78 6.05 0.00 3.54 3.29 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 76 T 9.44 5.40 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 1.24 0.00 0.00 77 V 9.10 4.62 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 0.16 0.00 0.00 1.06 0.00 0.00 78 A 8.42 4.50 1.18 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 79 F 8.22 3.92 0.00 2.92 2.60 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 80 K 7.68 5.33 0.00 1.94 1.70 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.59 7.81 81 N 8.86 4.97 0.00 2.76 2.65 0.00 0.00 7.01 7.68 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 82 N 8.85 4.38 0.00 2.45 2.41 0.00 0.00 6.68 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.22 4.36 0.00 3.02 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 84 R 8.07 4.82 0.00 2.04 1.92 0.00 3.46 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 85 N 8.54 5.15 0.00 2.62 2.54 0.00 0.00 6.89 7.96 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 86 A 8.78 4.40 1.23 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 0.00 0.00 87 H 8.69 4.20 0.00 3.34 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.48 5.15 0.00 4.01 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 89 A 9.36 5.12 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 90 T 8.67 5.02 3.78 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 0.00 0.00 -0.15 0.00 0.00 91 T 8.57 5.08 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 1.21 0.00 0.00 92 W 9.12 5.08 0.00 1.84 2.22 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 93 S 8.81 4.87 0.00 3.81 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 94 G 8.38 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 5.22 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 96 Y 9.17 4.58 0.00 2.95 2.80 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 97 V 8.96 4.25 1.97 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 0.90 0.00 0.00 0.89 0.00 0.00 98 G 7.53 3.39 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 0.00 0.00 0.00 99 G 8.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.13 1.30 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 0.00 0.00 101 E 7.61 4.55 0.00 1.88 1.85 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 2.21 2.37 0.00 102 A 7.90 4.11 1.50 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 0.00 0.00 103 R 8.94 5.33 0.00 1.97 2.28 0.00 2.82 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.06 0.00 104 I 8.61 4.88 1.66 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.92 0.00 0.00 105 N 8.72 5.35 0.00 2.65 2.77 0.00 0.00 6.05 8.37 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 0.00 106 T 9.52 5.23 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 107 Q 9.15 5.13 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 108 W 8.91 5.40 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.62 5.23 0.00 1.56 1.56 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.22 5.01 0.00 1.68 1.71 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.11 5.12 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 1.24 0.00 0.00 112 S 8.50 5.16 0.00 3.71 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 0.00 113 G 8.45 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.81 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 1.12 0.00 0.00 115 T 8.17 4.05 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 nan 0.00 0.00 116 E 8.17 4.82 0.00 1.96 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 2.24 2.36 0.00 117 A 7.74 4.74 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 0.00 118 N 8.06 4.76 0.00 2.77 2.69 0.00 0.00 6.83 7.59 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 0.00 119 A 8.42 4.10 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 0.00 120 W 8.30 4.41 0.00 3.60 3.25 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 0.00 121 K 6.61 4.11 0.00 1.10 0.74 0.00 1.22 0.00 0.00 1.23 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.80 4.45 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.65 5.04 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 1.25 0.00 0.00 124 L 9.01 4.79 0.00 1.80 1.75 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.64 4.33 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 0.54 0.00 0.00 0.67 0.00 0.00 126 G 6.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 5.45 0.00 3.20 3.14 0.00 5.67 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 0.00 128 D 9.48 5.14 0.00 3.04 2.37 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 0.00 129 T 8.75 5.04 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 1.27 0.00 0.00 130 F 9.63 5.43 0.00 2.88 3.15 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 0.00 131 T 8.93 5.40 4.39 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 1.36 0.00 0.00 132 K 8.61 4.30 0.00 1.47 1.63 0.00 1.37 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.56 0.21 7.81 133 V 7.36 3.79 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 0.68 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.