NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7556 8.4093 118.1273 53.1728 39.9955 173.5015 8 S 4.3669 8.1363 116.1931 56.9411 66.1703 170.8486 9 A 3.7049 9.3159 131.4361 53.5741 17.5592 179.6743 10 E 4.1066 8.6732 121.2590 57.4248 30.6157 177.6838 11 A 3.9390 7.9087 120.7812 54.7213 18.4122 179.4630 12 W 4.1783 7.7487 117.1634 59.7861 28.9795 178.9226 13 K 4.2813 8.2306 118.3884 60.2666 32.4350 178.6633 14 N 4.0479 8.2371 117.7203 55.9462 38.2434 177.1443 15 L 3.9861 8.0775 121.9640 58.0242 42.1731 179.2627 16 G 3.3410 8.0575 105.7635 47.7011 0.0000 175.4519 17 N 4.6757 9.6643 121.0707 55.6173 38.4312 177.3017 18 A 4.0126 7.9778 121.7434 55.4852 18.3809 179.3649 19 Y 3.9198 7.9322 115.3555 61.0006 36.3520 177.9294 20 Y 3.9567 8.2801 120.7897 60.6821 38.7531 178.2163 21 K 4.4153 8.1495 118.3155 59.4935 32.2068 179.2036 22 Q 4.1301 7.5489 117.7982 59.1060 28.8267 176.1234 23 G 2.8171 6.1410 109.8757 45.0641 0.0000 174.2559 24 D 4.4149 7.7687 122.5524 53.5581 39.9695 175.6865 25 Y 4.3005 7.6146 123.1462 59.7323 38.3673 177.0421 26 Q 3.7945 7.9870 120.5897 59.2655 29.3945 178.1851 27 K 3.5843 7.7746 118.5411 58.6922 31.7968 179.1016 28 A 3.7170 7.5133 121.5323 55.2443 18.2106 179.4467 29 I 3.6278 7.3783 117.7060 64.6712 37.2514 177.9488 30 E 3.7415 7.5297 119.2693 59.7474 29.1498 178.4458 31 Y 4.4435 7.4831 115.7829 60.4774 37.9580 177.5983 32 Y 4.3703 7.9553 118.6019 61.1779 37.8257 178.2163 33 Q 3.9291 8.7816 119.6364 58.7827 27.9293 178.8267 34 K 3.5675 7.7609 119.9355 58.9590 31.9617 178.8756 35 A 4.2300 7.5572 121.5000 55.0421 18.1569 179.4665 36 L 4.0138 7.4592 115.6569 57.0810 41.6650 179.1158 37 E 4.0417 7.5213 118.7048 58.9521 29.4066 178.5791 38 L 4.5148 7.1228 118.0142 55.4869 42.7247 176.5653 39 D 4.8030 8.0548 120.5551 51.5967 41.1325 174.0139 40 P 4.5236 0.0000 0.0000 63.9587 31.8192 177.0762 41 N 4.7158 8.2102 114.1989 53.2789 38.9350 174.6608 42 N 4.5303 7.9534 117.6300 52.9265 38.4948 175.1530 43 A 4.2823 8.6940 129.3268 55.1393 18.5516 178.7520 44 S 4.1326 8.3223 111.1908 61.4376 62.4192 176.1662 45 A 3.8312 7.7958 123.2997 54.9589 18.1570 179.6060 46 W 4.1457 8.0652 117.0094 60.0163 29.0704 177.9440 47 Y 4.2857 8.1394 118.9651 61.0325 38.1888 178.0074 48 N 3.8821 8.1661 117.2693 55.7863 38.3213 177.2465 49 L 3.7231 7.6158 122.2379 57.8312 42.1747 179.2349 50 G 2.8305 7.8792 105.6969 47.3754 0.0000 175.5296 51 N 4.5819 7.6750 119.5981 55.5413 38.5698 177.3758 52 A 4.1858 7.8031 122.2899 55.6159 18.5672 179.3962 53 Y 4.2026 7.6880 115.3594 61.1118 37.7714 178.2142 54 Y 3.9603 7.9172 120.2499 60.6390 38.8234 177.8826 55 K 3.9328 8.2758 119.2576 59.0445 32.1903 178.4549 56 Q 4.0009 7.4915 118.0521 57.7911 28.7713 176.9138 57 G 3.3244 7.1010 105.0807 45.0926 0.0000 174.5192 58 D 4.3635 7.6899 120.0154 53.8228 40.1062 175.5724 59 Y 4.4038 7.7532 124.0530 59.9985 38.1772 177.1424 60 Q 3.9843 8.1170 118.9380 59.2201 28.8240 179.1103 61 K 3.7287 8.0536 118.3728 58.7636 32.0739 179.1486 62 A 3.9486 7.6710 120.6536 55.3425 18.3767 179.5965 63 I 3.6159 7.9103 118.2988 64.5015 36.7623 178.1784 64 E 3.6995 7.6502 119.8448 59.5360 29.1604 178.4719 65 Y 4.3631 7.7174 115.4432 60.9307 38.2623 177.2042 66 Y 4.5404 8.5074 118.1659 61.0693 37.9221 178.3603 67 Q 3.8277 8.2385 120.6148 59.0933 27.9114 178.4815 68 K 3.8463 7.9074 119.7508 58.0552 31.7159 178.8001 69 A 4.4299 7.7055 120.6727 54.3051 18.6073 179.4842 70 L 3.8919 7.4623 116.5564 57.7663 41.6792 178.9555 71 E 4.0634 8.2205 118.1365 58.4483 29.0809 178.6905 72 L 4.5617 7.0830 115.3515 54.9537 42.9264 176.0222 73 D 4.5971 8.2565 118.6370 51.9010 41.7047 173.3856 74 P 4.6579 0.0000 0.0000 63.6621 31.9485 177.4139 75 N 4.6116 8.1313 115.7313 54.6345 39.1409 175.1477 76 N 4.4578 7.7746 116.4150 53.1362 37.3448 174.8559 77 A 4.3326 8.4431 127.6009 54.7525 18.6467 179.0544 78 K 4.0906 8.1867 116.4854 59.4148 32.0947 179.2776 79 A 4.0448 7.8543 121.3845 54.8962 18.5003 179.6165 80 W 4.2465 8.0713 117.0415 60.0293 29.1462 177.9854 81 Y 4.1972 8.5953 119.7621 61.0471 38.3625 178.3458 82 R 3.2833 7.7833 118.7698 58.5761 29.9481 178.9790 83 R 3.8972 7.6231 118.8829 58.7283 29.9506 178.6344 84 G 3.8349 7.9383 105.5056 48.0791 0.0000 175.3069 85 N 4.4012 7.8893 119.1548 55.9306 38.3656 177.3977 86 A 4.1521 7.9887 122.1391 55.4166 18.5035 179.3451 87 Y 4.2261 8.2452 115.6252 61.3044 37.7752 178.0155 88 Y 4.0854 8.5798 121.0439 60.7143 38.7267 178.2474 89 K 3.8289 8.2409 118.8308 59.2671 32.0674 179.0481 90 Q 4.0830 7.4492 117.3884 57.0059 28.7794 177.2442 91 G 3.1831 7.1357 107.5044 44.9220 0.0000 174.7406 92 D 4.4247 7.4072 120.3953 53.6401 38.7184 175.7494 93 Y 4.4254 7.4823 121.6988 60.1128 38.5208 177.1756 94 Q 4.0123 8.0507 118.9426 59.1665 28.9620 178.9308 95 K 3.8612 8.0676 118.5439 58.6747 31.8512 179.4263 96 A 4.1938 7.8320 121.0978 55.3670 18.3423 179.3351 97 I 3.6580 7.9471 118.2291 64.5921 37.0967 177.8464 98 E 3.8642 8.0668 119.2622 59.7178 29.4412 178.9848 99 D 4.5802 8.3465 120.8199 58.5211 40.5353 179.1119 *100 Y 4.1895 8.1620 121.0995 62.1358 36.3074 180.3656 101 Q 4.2065 8.5775 119.4144 58.8422 27.1858 178.5818 102 K 3.7288 7.6501 120.2405 58.7956 31.8126 178.7672 103 A 4.3690 7.6039 120.5361 54.5979 18.2350 178.9262 104 L 4.2187 7.6143 116.1318 56.9408 41.7753 179.0586 105 E 3.7239 7.6166 116.7892 58.8325 29.3377 178.6651 106 L 4.2345 7.0962 117.2821 57.0015 42.0543 176.5127 107 D 4.5007 7.4963 122.0280 54.5273 40.8100 175.9937 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 7 N 8.41 4.76 0.00 2.75 2.85 0.00 0.00 6.70 6.68 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 8 S 8.14 4.37 0.00 4.14 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 0.00 9 A 9.32 3.70 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.67 4.11 0.00 2.08 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 0.00 2.41 2.41 0.00 11 A 7.91 3.94 1.06 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 0.00 0.00 12 W 7.75 4.18 0.00 3.59 3.44 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 0.00 0.00 0.00 0.00 13 K 8.23 4.28 0.00 2.32 2.29 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.72 7.81 14 N 8.24 4.05 0.00 2.99 2.91 0.00 0.00 6.68 6.72 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 15 L 8.08 3.99 0.00 1.64 1.68 0.77 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.06 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 17 N 9.66 4.68 0.00 2.87 2.99 0.00 0.00 6.57 7.23 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 18 A 7.98 4.01 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 19 Y 7.93 3.92 0.00 3.20 3.20 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 20 Y 8.28 3.96 0.00 3.43 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 21 K 8.15 4.42 0.00 1.97 1.91 0.00 1.89 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.83 1.72 7.81 22 Q 7.55 4.13 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 23 G 6.14 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.41 0.00 2.79 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 25 Y 7.61 4.30 0.00 3.08 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 26 Q 7.99 3.79 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 27 K 7.77 3.58 0.00 1.31 0.97 0.00 1.59 0.00 0.00 1.25 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.08 1.20 7.81 28 A 7.51 3.72 1.47 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 0.00 0.00 29 I 7.38 3.63 1.82 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.80 0.74 0.00 0.00 30 E 7.53 3.74 0.00 1.66 1.42 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 1.80 2.06 0.00 31 Y 7.48 4.44 0.00 2.94 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 32 Y 7.96 4.37 0.00 3.04 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 33 Q 8.78 3.93 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 34 K 7.76 3.57 0.00 1.54 0.79 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.38 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.88 0.58 7.81 35 A 7.56 4.23 1.48 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 36 L 7.46 4.01 0.00 1.32 1.34 -0.69 -0.11 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 37 E 7.52 4.04 0.00 1.91 1.91 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 2.26 2.44 0.00 38 L 7.12 4.51 0.00 1.83 1.75 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.05 4.80 0.00 2.74 2.54 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 40 P 0.00 4.52 0.00 2.24 2.27 0.00 3.78 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 2.09 2.27 0.00 41 N 8.21 4.72 0.00 2.94 2.93 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.95 4.53 0.00 3.09 2.73 0.00 0.00 7.02 8.03 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 43 A 8.69 4.28 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 44 S 8.32 4.13 0.00 3.94 4.09 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 45 A 7.80 3.83 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 46 W 8.07 4.15 0.00 3.46 3.51 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 47 Y 8.14 4.29 0.00 3.20 3.19 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 0.00 48 N 8.17 3.88 0.00 2.17 1.99 0.00 0.00 6.72 6.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.62 3.72 0.00 1.50 1.58 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.88 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 0.00 0.00 0.00 51 N 7.68 4.58 0.00 2.59 2.85 0.00 0.00 6.74 9.26 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 52 A 7.80 4.19 1.42 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 0.00 0.00 0.00 53 Y 7.69 4.20 0.00 3.05 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 54 Y 7.92 3.96 0.00 3.43 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 55 K 8.28 3.93 0.00 1.67 0.74 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.83 1.19 7.81 56 Q 7.49 4.00 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.64 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 57 G 7.10 3.32 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 0.00 0.00 0.00 0.00 58 D 7.69 4.36 0.00 2.82 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 59 Y 7.75 4.40 0.00 3.13 2.95 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 60 Q 8.12 3.98 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 61 K 8.05 3.73 0.00 1.51 1.29 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.28 7.81 62 A 7.67 3.95 1.66 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 0.00 0.00 63 I 7.91 3.62 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.73 0.65 0.00 0.00 64 E 7.65 3.70 0.00 1.67 1.54 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 1.68 2.03 0.00 65 Y 7.72 4.36 0.00 2.92 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 66 Y 8.51 4.54 0.00 3.00 2.84 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 67 Q 8.24 3.83 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 68 K 7.91 3.85 0.00 1.54 0.74 0.00 1.18 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.35 7.81 69 A 7.71 4.43 1.55 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 70 L 7.46 3.89 0.00 1.38 1.15 -0.18 -0.50 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 71 E 8.22 4.06 0.00 1.87 1.91 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 2.26 2.32 0.00 72 L 7.08 4.56 0.00 1.60 1.75 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.26 4.60 0.00 2.69 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 74 P 0.00 4.66 0.00 2.41 2.30 0.00 3.85 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 2.06 2.05 0.00 75 N 8.13 4.61 0.00 2.92 2.94 0.00 0.00 6.93 8.00 0.00 0.00 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 N 7.77 4.46 0.00 2.92 2.62 0.00 0.00 6.91 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 77 A 8.44 4.33 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.19 4.09 0.00 1.79 1.96 0.00 1.57 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.48 7.81 79 A 7.85 4.04 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 80 W 8.07 4.25 0.00 3.63 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 81 Y 8.60 4.20 0.00 3.04 3.22 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 82 R 7.78 3.28 0.00 1.34 1.22 0.00 3.22 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.79 0.00 83 R 7.62 3.90 0.00 1.75 2.05 0.00 3.05 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.61 0.00 84 G 7.94 3.83 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 0.00 0.00 0.00 85 N 7.89 4.40 0.00 2.61 2.94 0.00 0.00 6.98 8.03 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 86 A 7.99 4.15 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.23 0.00 3.30 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 88 Y 8.58 4.09 0.00 3.23 3.20 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 89 K 8.24 3.83 0.00 0.79 0.90 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.06 7.81 90 Q 7.45 4.08 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.40 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 91 G 7.14 3.18 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 92 D 7.41 4.42 0.00 2.74 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 93 Y 7.48 4.43 0.00 3.16 2.98 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 94 Q 8.05 4.01 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 95 K 8.07 3.86 0.00 0.87 0.74 0.00 1.24 0.00 0.00 1.20 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.23 7.81 96 A 7.83 4.19 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 0.00 0.00 0.00 0.00 0.00 97 I 7.95 3.66 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.96 0.00 0.00 98 E 8.07 3.86 0.00 2.03 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 0.00 2.27 2.33 0.00 99 D 8.35 4.58 0.00 3.32 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 *100 Y 8.16 4.19 0.00 2.32 2.31 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 0.00 101 Q 8.58 4.21 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 102 K 7.65 3.73 0.00 1.32 0.74 0.00 1.27 0.00 0.00 1.15 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.66 7.81 103 A 7.60 4.37 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.61 4.22 0.00 1.70 1.69 0.91 0.82 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 0.00 105 E 7.62 3.72 0.00 1.86 1.94 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 2.28 2.37 0.00 106 L 7.10 4.23 0.00 1.63 1.73 1.06 1.04 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 0.00 107 D 7.50 4.50 0.00 2.62 2.55 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 * Residues marked with a * may have inaccurate shift predictions.