NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7733 8.1476 118.3407 55.4558 33.7619 173.3111 2 I 4.8256 8.6524 112.0251 58.9985 41.7275 172.4393 3 I 5.1101 8.8491 122.9324 59.5113 41.4211 176.1915 4 V 4.9458 9.0052 125.0433 61.3128 34.8705 173.3776 5 Y 5.4822 9.1189 128.9543 56.3273 41.3346 174.2102 6 T 5.0023 8.3602 119.4081 60.7140 71.6184 172.0449 7 T 4.9068 7.8214 113.7292 59.7724 71.9206 172.9964 8 F 4.5591 8.7866 121.1758 54.7822 42.6287 174.6921 9 P 4.1384 0.0000 0.0000 64.8516 31.5582 175.3152 10 D 4.4345 7.2093 116.8344 51.0971 41.8820 176.0298 11 W 4.0566 8.6229 118.3632 59.5590 28.9076 178.6366 12 E 3.9698 8.2868 118.4884 59.5251 29.0629 179.3796 13 S 3.9755 8.6105 114.2901 61.2422 62.9059 176.0950 14 A 2.0000 7.2003 124.3471 54.3960 17.9977 179.4462 15 E 3.8280 8.2682 116.8486 59.1413 29.5106 179.5531 16 K 3.8026 7.8910 119.6372 59.4927 32.2626 178.9755 17 V 3.4803 7.4597 118.2292 65.9872 31.5120 177.9865 18 V 3.5974 7.6693 118.0112 66.1419 31.2770 178.1615 19 K 4.0300 8.3736 118.4681 59.6804 31.8602 179.5206 20 T 3.8749 7.9187 116.1326 66.6694 68.2815 176.7496 21 L 4.0614 8.1452 120.8936 57.5923 41.5585 179.6187 22 L 4.0084 7.9468 119.1705 57.6605 41.4267 179.5656 23 K 4.0280 8.3098 117.8250 58.8320 32.0333 178.2378 24 E 4.3241 7.9731 116.1451 55.0344 30.5010 176.0232 25 R 3.7319 7.8512 118.1295 57.2601 28.2886 177.4373 26 L 4.5271 8.1410 116.3521 55.4162 42.6863 177.2261 27 I 4.8295 7.1780 110.4206 59.3029 40.0525 175.0849 28 A 3.9201 9.2373 125.6151 54.1365 19.0581 177.7446 *30 A 4.4582 7.8323 115.3662 52.0287 20.3132 175.9376 31 N 5.0855 9.3543 117.5547 51.5488 41.3669 173.7504 32 L 5.5516 8.6378 123.5632 53.2160 45.0403 176.0192 33 R 4.9977 8.5361 116.8237 55.3513 33.0046 174.3137 34 E 4.7909 9.0707 120.4299 57.0120 30.7898 175.2646 35 H 4.8486 8.7209 115.3257 54.9782 32.5310 172.3516 36 R 4.7031 8.7354 119.8908 55.0353 31.0273 174.9511 37 A 4.9430 8.9394 129.1588 50.3809 21.5587 175.3249 38 F 5.1730 8.8862 120.1498 55.7909 41.8988 174.0696 39 Y 4.9428 8.1904 120.4726 55.5992 41.7077 173.8174 40 W 4.9756 8.9667 120.5548 56.3892 30.0786 176.6727 41 W 4.6454 9.9596 134.3727 57.4757 32.0349 174.0564 42 E 3.4606 9.1423 128.6711 57.4493 25.9565 175.7582 43 G 3.9796 8.3292 102.1279 45.5723 0.0000 172.1701 44 K 4.7735 8.0217 119.3474 54.6198 36.1992 175.6844 45 I 4.0053 8.1045 127.3304 60.1313 37.0058 175.3793 46 E 4.1161 8.5332 127.6999 55.6809 30.9791 175.6226 47 E 4.6684 7.9073 121.8247 54.5394 32.6491 174.2675 48 D 4.4955 8.4209 123.0111 53.2107 45.4102 174.7479 49 K 4.6548 8.6922 124.7393 56.5963 33.2230 175.8330 50 E 4.7169 9.0698 122.6230 54.7586 34.9646 174.2838 51 V 4.1884 8.4140 120.6279 61.0736 33.5152 174.6926 52 G 4.3584 9.1756 116.4695 45.5115 0.0000 171.8103 53 A 5.3910 9.1707 125.6081 49.9988 22.3961 174.8149 54 I 4.9524 9.2009 124.1061 59.7457 39.4322 174.8175 55 L 5.1795 9.3275 127.5173 52.8225 45.0136 175.6327 56 K 5.1152 8.5627 120.9806 55.2648 35.4606 175.2860 57 T 4.5363 8.4487 118.2331 61.6368 71.0939 172.4063 58 R 4.6687 8.5189 119.4272 55.4652 32.0050 178.0477 59 E 4.0398 8.8777 120.9954 59.5979 29.3764 179.0465 60 D 4.6539 8.1098 116.4740 55.0511 39.9055 177.1277 61 L 4.4694 7.7283 119.9305 54.4871 42.0367 177.6380 62 W 4.7194 8.0605 129.5359 61.0665 30.5821 177.4823 63 E 3.3768 8.0987 117.4231 59.2780 28.9982 178.9550 64 E 3.8570 7.9862 118.7816 58.9162 29.7248 178.4664 65 L 3.8727 8.1424 120.7887 57.9387 42.2632 178.6666 66 K 3.5677 7.6329 119.8293 59.6236 31.4470 178.4745 67 E 3.8749 7.8513 118.6371 59.3370 29.4302 179.4188 68 R 3.9072 7.8972 118.7554 59.4264 30.1703 178.6695 69 I 3.7797 8.1763 120.1164 64.3519 36.8831 178.5713 70 K 4.1986 7.9301 118.2541 59.3232 31.8462 178.8016 71 E 4.1724 7.6055 117.2314 58.6844 29.5924 178.3300 72 L 4.3509 7.5357 117.2451 55.4330 42.4329 177.0699 73 H 4.2106 8.2156 119.7553 55.3376 30.2108 173.4555 74 P 4.3975 0.0000 0.0000 65.7534 31.3368 176.7001 75 Y 4.5877 7.8286 116.4191 57.6084 38.5597 176.3526 76 D 4.4747 8.8327 123.7388 56.7810 41.5091 177.1110 77 V 4.3857 7.2786 117.2439 60.2823 31.1760 172.7348 78 P 4.3323 0.0000 0.0000 61.8056 32.7588 176.2378 79 A 4.3844 8.0622 121.1146 51.2852 20.3128 176.5938 80 I 4.7653 8.3020 122.9493 59.3672 38.4119 172.8414 81 I 4.3868 8.8779 126.0358 59.6935 39.0332 174.2440 82 R 4.5726 8.3614 127.8114 54.7364 31.4412 175.3761 83 I 4.4617 8.4709 126.5316 59.3558 40.5625 174.7541 84 D 4.6160 8.7044 127.2527 54.2655 41.7722 176.1174 85 V 4.0973 8.2188 122.2956 61.6703 32.2222 176.8214 86 D 4.3419 8.9748 128.4536 57.2109 41.0806 175.6527 87 D 4.4681 7.2078 112.6056 54.1274 44.6355 174.7756 88 V 4.4457 7.9325 120.6528 59.0237 34.0904 173.6764 89 N 4.4823 8.5416 119.5304 53.0007 38.8548 175.6621 90 E 4.0320 8.9322 123.4739 59.9315 29.7531 179.3409 91 D 4.4340 8.1782 118.1818 57.7036 40.8600 178.1958 92 Y 4.1069 8.0789 119.5009 60.4286 38.8108 177.3831 93 L 4.1064 8.1400 120.9761 58.1782 42.1761 179.0404 94 K 3.9465 8.3069 118.4839 59.1581 31.9691 179.0561 95 W 4.0513 8.0718 128.0563 60.4618 30.2282 177.7561 96 L 3.2049 8.0486 120.3948 57.9216 41.2028 179.0772 97 I 3.6511 7.6889 119.2497 64.3179 37.1467 177.7398 98 E 3.9777 8.0091 119.1596 59.1298 29.5168 178.2760 99 E 3.9043 7.7231 117.5350 57.2278 29.7846 176.7494 100 T 4.7125 6.4065 108.4780 59.3506 70.8706 174.9831 101 K 3.9268 8.7181 122.6740 57.6183 33.2566 176.8485 102 K 4.2254 8.4301 119.5291 56.7838 31.8331 176.8544 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 M 8.15 4.77 0.00 2.20 2.50 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 2 I 8.65 4.83 1.75 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 1.27 0.85 0.88 0.00 0.00 3 I 8.85 5.11 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.96 0.00 0.00 4 V 9.01 4.95 2.24 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 1.10 0.00 0.00 1.15 0.00 0.00 5 Y 9.12 5.48 0.00 3.01 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 6 T 8.36 5.00 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 0.97 0.00 0.00 7 T 7.82 4.91 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 0.92 0.00 0.00 8 F 8.79 4.56 0.00 2.71 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 9 P 0.00 4.14 0.00 2.13 2.19 0.00 3.06 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 10 D 7.21 4.43 0.00 2.90 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 11 W 8.62 4.06 0.00 3.40 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 12 E 8.29 3.97 0.00 2.01 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 2.40 2.40 0.00 13 S 8.61 3.98 0.00 3.91 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 0.00 14 A 7.20 2.00 0.87 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 0.00 0.00 15 E 8.27 3.83 0.00 2.00 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 2.45 2.68 0.00 16 K 7.89 3.80 0.00 1.84 1.88 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 V 7.46 3.48 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 1.08 0.00 0.00 0.96 0.00 0.00 18 V 7.67 3.60 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 1.01 0.00 0.00 0.94 0.00 0.00 19 K 8.37 4.03 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 20 T 7.92 3.87 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 1.23 0.00 0.00 21 L 8.15 4.06 0.00 1.90 1.74 1.00 0.51 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 22 L 7.95 4.01 0.00 1.88 1.71 0.96 0.78 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 23 K 8.31 4.03 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.79 7.81 24 E 7.97 4.32 0.00 1.95 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 2.28 2.50 0.00 25 R 7.85 3.73 0.00 1.95 1.97 0.00 3.07 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 26 L 8.14 4.53 0.00 1.62 1.72 0.96 0.99 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 27 I 7.18 4.83 2.03 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 1.30 0.58 0.98 0.00 0.00 28 A 9.24 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 7.83 4.46 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 31 N 9.35 5.09 0.00 2.67 2.80 0.00 0.00 6.93 6.64 0.00 0.00 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 L 8.64 5.55 0.00 1.76 1.62 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.54 5.00 0.00 1.99 2.13 0.00 3.04 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 34 E 9.07 4.79 0.00 2.00 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 2.57 2.82 0.00 35 H 8.72 4.85 0.00 3.23 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.74 4.70 0.00 1.92 2.09 0.00 3.26 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 37 A 8.94 4.94 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 38 F 8.89 5.17 0.00 2.86 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 39 Y 8.19 4.94 0.00 3.12 3.04 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 40 W 8.97 4.98 0.00 3.33 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 41 W 9.96 4.65 0.00 3.59 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 42 E 9.14 3.46 0.00 1.98 1.83 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 1.78 1.47 0.00 43 G 8.33 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 0.00 0.00 0.00 44 K 8.02 4.77 0.00 1.91 1.69 0.00 1.66 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.43 7.81 45 I 8.10 4.01 1.48 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 46 E 8.53 4.12 0.00 1.16 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 2.17 2.24 0.00 47 E 7.91 4.67 0.00 1.70 1.58 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 1.75 1.47 0.00 48 D 8.42 4.50 0.00 2.74 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 49 K 8.69 4.65 0.00 1.67 1.70 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 50 E 9.07 4.72 0.00 1.44 1.71 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 2.23 2.21 0.00 51 V 8.41 4.19 1.64 0.00 0.00 0.00 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 -0.62 0.00 0.00 52 G 9.18 4.36 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 53 A 9.17 5.39 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 54 I 9.20 4.95 1.99 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 1.39 0.81 0.99 0.00 0.00 55 L 9.33 5.18 0.00 1.64 1.64 1.04 0.85 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 56 K 8.56 5.12 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.57 7.81 57 T 8.45 4.54 4.33 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 0.00 0.00 0.00 1.33 0.00 0.00 58 R 8.52 4.67 0.00 1.84 1.92 0.00 3.18 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 59 E 8.88 4.04 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 2.39 2.38 0.00 60 D 8.11 4.65 0.00 2.86 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 61 L 7.73 4.47 0.00 1.88 1.77 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.06 4.72 0.00 3.44 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 63 E 8.10 3.38 0.00 1.94 1.84 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 2.43 2.31 0.00 64 E 7.99 3.86 0.00 1.99 2.04 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 2.34 2.32 0.00 65 L 8.14 3.87 0.00 1.88 1.91 0.97 0.75 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 66 K 7.63 3.57 0.00 0.79 1.17 0.00 1.55 0.00 0.00 1.19 0.00 0.00 2.37 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.20 7.81 67 E 7.85 3.87 0.00 2.07 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 2.46 2.36 0.00 68 R 7.90 3.91 0.00 2.03 2.05 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 69 I 8.18 3.78 1.98 0.00 0.00 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 1.58 0.57 0.96 0.00 0.00 70 K 7.93 4.20 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 71 E 7.61 4.17 0.00 2.09 2.00 0.00 0.00 0.00 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 2.65 0.00 72 L 7.54 4.35 0.00 1.68 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.22 4.21 0.00 3.31 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.89 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 4.40 0.00 2.11 2.11 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 75 Y 7.83 4.59 0.00 2.82 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 76 D 8.83 4.47 0.00 2.75 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 77 V 7.28 4.39 2.17 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 0.93 0.00 0.00 1.10 0.00 0.00 78 P 0.00 4.33 0.00 1.76 1.51 0.00 3.81 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 1.88 1.83 0.00 79 A 8.06 4.38 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 80 I 8.30 4.77 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 1.07 0.00 0.00 81 I 8.88 4.39 2.13 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 1.19 0.85 0.95 0.00 0.00 82 R 8.36 4.57 0.00 0.67 0.86 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.00 83 I 8.47 4.46 1.82 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 1.17 0.53 0.86 0.00 0.00 84 D 8.70 4.62 0.00 2.50 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 85 V 8.22 4.10 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 0.99 0.00 0.00 0.94 0.00 0.00 86 D 8.97 4.34 0.00 2.69 2.71 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 87 D 7.21 4.47 0.00 2.64 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 88 V 7.93 4.45 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 0.81 0.00 0.00 0.96 0.00 0.00 89 N 8.54 4.48 0.00 2.98 3.01 0.00 0.00 5.97 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 90 E 8.93 4.03 0.00 2.07 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 2.44 2.45 0.00 91 D 8.18 4.43 0.00 2.82 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 92 Y 8.08 4.11 0.00 3.05 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 93 L 8.14 4.11 0.00 1.97 1.91 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.31 3.95 0.00 2.06 1.89 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.78 7.81 95 W 8.07 4.05 0.00 3.32 3.23 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 96 L 8.05 3.20 0.00 1.63 1.79 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.69 3.65 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.88 0.00 0.00 98 E 8.01 3.98 0.00 1.89 2.07 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 0.00 2.24 2.26 0.00 99 E 7.72 3.90 0.00 1.21 1.52 0.00 0.00 0.00 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 1.47 0.00 100 T 6.41 4.71 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 1.11 0.00 0.00 101 K 8.72 3.93 0.00 1.71 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.44 7.81 102 K 8.43 4.23 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.