NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5874 8.0333 115.5305 62.3938 69.1707 172.5806 2 Y 4.6291 8.8591 123.5102 55.8430 40.6039 169.8129 3 V 4.6174 9.7712 121.5368 61.4298 35.7145 173.7810 4 I 4.6307 8.8659 127.8513 60.4825 38.5918 174.8983 5 A 3.8299 8.4510 129.7905 49.4221 22.0321 175.8717 6 E 3.1799 6.0539 115.6158 58.9265 29.3037 178.0189 7 P 4.1541 0.0000 0.0000 64.9881 31.6544 177.0416 8 C 4.0642 7.6436 118.4092 61.5415 31.6772 173.7075 9 V 3.8423 7.4346 120.0702 64.1544 31.2126 174.9797 10 D 4.4302 8.9697 125.6955 55.2304 39.0533 173.8799 11 V 3.9902 8.0184 117.1967 64.4396 33.4904 176.4594 12 K 3.7458 7.9327 115.6319 57.4084 29.3784 174.7910 13 D 4.2819 7.7640 118.1391 55.7642 41.6991 176.8992 14 K 3.9353 8.2849 115.4415 56.7405 29.1587 177.4600 15 A 3.9410 7.7317 123.9860 55.3665 18.7412 180.5438 16 C 4.1367 8.1265 111.3531 61.4974 29.1164 176.1078 17 I 3.7367 7.3440 115.2193 63.4899 36.9240 177.7608 18 E 3.7642 7.7881 118.5257 58.0696 29.3485 177.1645 19 E 4.3688 7.9407 116.8936 56.5373 31.3332 175.6696 20 C 4.2471 7.4886 120.1174 58.1026 31.4917 172.4561 21 P 4.3022 0.0000 0.0000 64.8608 31.0670 177.5415 22 V 4.1100 7.6413 108.5891 60.0785 32.8316 174.6121 23 D 4.2576 7.5940 119.3913 55.6533 39.9539 173.5008 24 C 4.9940 7.8154 108.9713 58.0761 31.6446 173.4778 25 I 5.0366 7.6278 120.2686 60.6537 38.3013 174.4310 26 Y 4.8365 9.4153 125.5311 56.1600 41.2199 174.5101 27 E 4.6525 8.9746 123.4693 55.2154 31.5658 175.4997 28 G 5.0524 8.6720 115.3254 44.1374 0.0000 172.8165 29 A 4.3195 9.4146 122.5239 54.6753 18.6542 179.1457 30 R 4.3822 8.5101 114.3672 57.6961 31.4737 175.7550 31 M 4.5777 7.4485 112.9938 54.5361 33.6305 172.8100 32 L 4.9835 7.7598 118.2733 53.6344 44.1973 176.0596 33 Y 4.8790 8.7389 117.8152 56.5090 42.1689 174.5255 34 I 4.7315 9.1041 125.5802 60.6762 38.5985 175.1335 35 H 4.0266 9.3053 128.2855 55.1450 29.8778 174.3739 36 P 4.4600 0.0000 0.0000 64.5544 31.5611 176.6711 37 D 4.7608 8.1638 116.9981 54.3136 41.1817 176.3454 38 E 4.4736 7.7716 118.2077 57.0095 32.0679 176.4064 39 C 4.2639 8.1698 118.9389 59.7776 31.9114 173.4859 40 V 4.2764 8.1483 119.1260 60.6936 32.0385 171.7736 41 D 4.3603 8.3147 127.1585 54.1994 39.3518 173.9634 *43 G 3.3383 8.4146 111.5990 44.6086 0.0000 173.6282 44 A 3.9641 7.7849 124.0338 54.6597 18.7819 179.4050 45 C 4.2232 7.8565 110.9960 61.0922 30.6854 175.5347 46 E 3.9012 7.8907 121.1266 58.4966 29.2299 177.0514 47 P 4.3892 0.0000 0.0000 64.8796 31.5301 177.1267 48 V 3.9456 7.2410 110.8889 61.6794 32.2963 175.5862 49 C 4.2433 7.5975 121.7203 58.2590 31.4102 172.2177 50 P 4.4706 0.0000 0.0000 64.4706 31.3093 177.1586 51 V 4.2613 7.5476 111.0487 60.4000 32.2534 175.0753 52 E 3.6521 7.8064 117.0762 57.4896 27.3819 175.6707 53 A 4.1637 7.7987 120.4444 53.9078 20.0814 178.2650 54 I 4.9494 7.4291 116.0812 60.1258 38.8927 175.0880 55 Y 4.8477 9.0600 123.5530 55.8789 42.4200 174.3682 56 Y 3.5092 8.4950 123.7533 57.3061 39.4947 176.7001 57 E 3.7766 7.6881 123.8043 59.6361 29.4533 178.1923 58 D 4.4300 6.9874 116.3276 55.5334 41.1456 176.2470 59 D 4.8218 7.9514 118.1402 53.6896 41.7673 176.7728 60 V 3.2895 7.5526 120.2353 61.7043 32.1510 173.8264 61 P 4.1234 0.0000 0.0000 62.6569 32.1229 176.8158 62 D 4.3344 8.7452 122.0841 57.5810 40.8780 179.0971 63 Q 4.0458 7.7767 115.2325 58.0176 28.7855 176.9067 64 W 5.2867 8.1340 118.6353 56.4569 29.5376 177.5721 65 S 4.2108 8.1266 117.4150 61.8954 62.1868 176.3156 66 S 4.3522 8.1722 117.2726 60.7360 62.5495 175.7343 67 Y 3.9876 8.3542 120.0439 60.5248 37.6157 177.9968 68 A 4.0774 7.8174 120.7390 55.5432 18.5445 179.5977 69 Q 3.9974 8.1547 116.9391 59.0461 29.2644 178.0943 70 A 4.0847 7.9254 121.9376 55.0632 18.1643 179.3267 71 N 4.6942 8.5347 114.3278 56.4022 38.9357 177.2014 72 A 4.3225 8.0793 121.7861 55.5569 18.6859 179.5511 73 D 4.3569 8.6325 117.5520 57.1621 40.5506 178.5463 74 F 3.7876 7.6636 120.3247 60.6050 39.3035 176.1471 75 F 4.4484 7.7822 115.0596 56.8697 38.6918 177.1566 76 A 3.9765 7.4978 124.0068 55.0326 18.2191 179.1975 77 E 4.3665 7.7337 112.5776 57.5279 30.6344 177.5073 78 L 4.0897 7.7510 117.6583 55.2867 42.9527 179.0937 79 G 3.7012 7.6875 106.9564 46.9153 0.0000 176.5858 80 S 4.4758 8.3450 114.4000 55.3014 62.3033 171.5900 81 P 4.3287 0.0000 0.0000 63.1873 31.5737 177.7385 82 G 3.8923 8.6309 106.0989 44.1020 0.0000 173.0946 83 G 4.5952 7.4273 118.3647 45.0442 0.0000 173.4507 84 A 3.7443 7.9794 129.3134 54.6171 18.8249 179.6392 85 S 4.1122 8.3082 112.2347 61.6453 62.8825 176.1269 86 K 4.2026 7.9768 116.9627 58.6320 32.8837 177.9689 87 V 3.9805 7.7586 112.6762 61.0645 32.6909 177.6685 88 G 3.8947 7.9171 107.3779 45.1718 0.0000 172.0729 89 Q 4.5356 8.6254 120.9175 56.0249 30.1768 176.3630 90 T 4.8127 8.7281 114.1482 60.0439 72.0962 173.1429 91 D 5.0649 8.3681 120.3128 53.8018 39.8716 176.6125 92 N 4.3785 7.7690 114.3808 53.9530 38.9273 175.5078 93 D 4.5070 8.0852 118.7392 54.2490 41.4832 175.4991 94 P 4.3395 0.0000 0.0000 62.4912 33.3306 177.1476 95 Q 3.9149 8.6815 121.0130 59.5985 28.7523 178.8829 96 A 3.9770 7.9564 119.8972 55.1098 18.7362 179.1409 97 I 3.9481 7.6549 117.8531 64.2098 37.2748 178.1666 98 K 3.9435 8.0732 118.5368 59.8041 32.0139 178.4869 99 D 4.5204 8.1601 116.8788 54.8470 41.3141 177.0181 100 L 4.0894 7.0141 119.5460 54.0238 42.1611 175.3895 101 P 4.4862 0.0000 0.0000 61.5803 32.0089 174.5015 102 P 4.5938 0.0000 0.0000 63.1342 31.8310 176.9184 103 Q 4.2152 8.6957 119.8381 56.1813 29.2556 175.4534 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 T 8.03 4.59 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 2 Y 8.86 4.63 0.00 2.92 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 3 V 9.77 4.62 2.20 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 1.21 0.00 0.00 0.99 0.00 0.00 4 I 8.87 4.63 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.73 0.00 0.00 5 A 8.45 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 6.05 3.18 0.00 1.16 1.12 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 2.23 2.22 0.00 7 P 0.00 4.15 0.00 1.96 2.06 0.00 3.10 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 2.03 2.03 0.00 8 C 7.64 4.06 0.00 2.81 2.68 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 0.00 0.00 0.00 9 V 7.43 3.84 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 0.81 0.00 0.00 0.91 0.00 0.00 10 D 8.97 4.43 0.00 2.82 2.72 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 0.00 0.00 0.00 11 V 8.02 3.99 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 0.76 0.00 0.00 0.97 0.00 0.00 12 K 7.93 3.75 0.00 1.85 1.76 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 D 7.76 4.28 0.00 2.58 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 14 K 8.28 3.94 0.00 2.02 1.92 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.57 7.81 15 A 7.73 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 16 C 8.13 4.14 0.00 3.12 3.16 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 17 I 7.34 3.74 1.82 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 1.71 0.76 0.87 0.00 0.00 18 E 7.79 3.76 0.00 2.09 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 2.32 2.47 0.00 19 E 7.94 4.37 0.00 1.98 1.93 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 2.38 2.42 0.00 20 C 7.49 4.25 0.00 2.77 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 21 P 0.00 4.30 0.00 2.05 2.08 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 22 V 7.64 4.11 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 0.69 0.00 0.00 0.98 0.00 0.00 23 D 7.59 4.26 0.00 2.75 2.58 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 24 C 7.82 4.99 0.00 3.17 3.16 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 25 I 7.63 5.04 1.85 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 1.39 0.65 0.94 0.00 0.00 26 Y 9.42 4.84 0.00 3.07 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 27 E 8.97 4.65 0.00 2.09 1.90 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 2.38 2.34 0.00 28 G 8.67 5.05 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 0.00 0.00 0.00 29 A 9.41 4.32 1.39 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 30 R 8.51 4.38 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 31 M 7.45 4.58 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.27 0.00 32 L 7.76 4.98 0.00 1.40 1.55 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.74 4.88 0.00 2.39 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 34 I 9.10 4.73 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 1.08 0.00 0.00 35 H 9.31 4.03 0.00 2.65 3.04 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.46 0.00 2.27 2.24 0.00 3.23 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 2.03 0.00 37 D 8.16 4.76 0.00 2.62 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 38 E 7.77 4.47 0.00 1.87 1.93 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 2.04 1.79 0.00 39 C 8.17 4.26 0.00 3.01 2.92 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 40 V 8.15 4.28 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 0.88 0.00 0.00 0.93 0.00 0.00 41 D 8.31 4.36 0.00 2.97 2.96 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 *43 G 8.41 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 0.00 0.00 0.00 44 A 7.78 3.96 1.25 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 0.00 0.00 45 C 7.86 4.22 0.00 3.06 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 46 E 7.89 3.90 0.00 2.34 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 0.00 2.30 2.47 0.00 47 P 0.00 4.39 0.00 2.20 2.16 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 48 V 7.24 3.95 2.05 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 0.64 0.00 0.00 0.99 0.00 0.00 49 C 7.60 4.24 0.00 3.02 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.47 0.00 2.20 2.14 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 51 V 7.55 4.26 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 0.75 0.00 0.00 0.93 0.00 0.00 52 E 7.81 3.65 0.00 2.09 1.93 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 2.23 2.23 0.00 53 A 7.80 4.16 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 54 I 7.43 4.95 1.85 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 1.35 0.61 1.15 0.00 0.00 55 Y 9.06 4.85 0.00 2.87 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 56 Y 8.49 3.51 0.00 2.22 2.78 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 57 E 7.69 3.78 0.00 1.92 1.95 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 1.47 1.82 0.00 58 D 6.99 4.43 0.00 2.84 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 59 D 7.95 4.82 0.00 2.95 2.89 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 60 V 7.55 3.29 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 1.02 0.00 0.00 61 P 0.00 4.12 0.00 1.52 1.48 0.00 3.17 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 62 D 8.75 4.33 0.00 2.60 2.68 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 0.00 0.00 0.00 63 Q 7.78 4.05 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.35 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 64 W 8.13 5.29 0.00 3.46 3.06 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 0.00 0.00 0.00 0.00 65 S 8.13 4.21 0.00 4.11 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 0.00 66 S 8.17 4.35 0.00 3.84 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 67 Y 8.35 3.99 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 70 A 7.93 4.08 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 71 N 8.53 4.69 0.00 3.05 3.34 0.00 0.00 7.02 8.21 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 72 A 8.08 4.32 1.49 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 0.00 0.00 73 D 8.63 4.36 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 74 F 7.66 3.79 0.00 1.92 2.23 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 75 F 7.78 4.45 0.00 3.10 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 76 A 7.50 3.98 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 77 E 7.73 4.37 0.00 1.81 1.92 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 2.12 2.15 0.00 78 L 7.75 4.09 0.00 1.63 1.78 0.69 0.88 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 79 G 7.69 3.70 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 0.00 0.00 0.00 80 S 8.34 4.48 0.00 3.69 3.70 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 81 P 0.00 4.33 0.00 2.40 2.25 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 82 G 8.63 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 83 G 7.43 4.60 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 84 A 7.98 3.74 0.54 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 85 S 8.31 4.11 0.00 3.85 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 0.00 86 K 7.98 4.20 0.00 1.89 1.96 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.52 7.81 87 V 7.76 3.98 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.20 0.00 0.00 88 G 7.92 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 89 Q 8.63 4.54 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 90 T 8.73 4.81 4.19 0.00 0.00 0.00 0.00 0.00 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 91 D 8.37 5.06 0.00 2.80 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 92 N 7.77 4.38 0.00 1.44 1.84 0.00 0.00 7.18 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 93 D 8.09 4.51 0.00 2.73 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 94 P 0.00 4.34 0.00 2.15 1.95 0.00 3.75 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 2.23 2.09 0.00 95 Q 8.68 3.91 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 96 A 7.96 3.98 1.26 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 97 I 7.65 3.95 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 1.03 0.00 0.00 98 K 8.07 3.94 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.80 7.81 99 D 8.16 4.52 0.00 2.80 2.72 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 0.00 0.00 0.00 100 L 7.01 4.09 0.00 1.81 1.64 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.49 0.00 2.06 2.01 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 102 P 0.00 4.59 0.00 2.04 1.99 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 103 Q 8.70 4.22 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.