NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 4.1481 8.0244 121.4546 60.9681 38.0472 176.4482 10 Y 3.9056 8.9580 124.5339 61.1323 38.6805 176.2062 11 L 4.3874 8.4894 119.2154 56.7975 43.4370 178.0341 12 Q 3.9224 8.1451 117.4979 59.6115 28.6291 179.8793 13 I 3.6076 7.7577 119.9213 64.5010 36.8732 177.4045 14 A 3.9607 8.4801 121.8409 55.6569 18.0019 179.5649 15 D 4.3626 8.4195 117.1339 57.5747 40.9706 178.8587 16 R 3.8097 8.0235 118.6899 59.4329 30.0282 178.4155 17 I 4.6316 8.0330 121.0947 63.8506 37.2586 177.8463 18 C 4.0606 9.0577 118.3781 63.2441 27.8906 176.1563 19 D 4.0585 8.8594 120.8143 57.0483 40.3798 178.1854 20 D 4.2550 8.2285 119.8138 57.7870 40.9572 179.4367 21 I 3.9508 8.1133 120.0862 64.2415 36.9523 178.2603 22 L 4.2197 8.5944 119.1137 56.5236 41.7013 178.3732 23 L 4.3096 8.0657 117.7376 54.2529 41.6220 177.0820 24 G 3.9925 7.6416 106.3082 46.2578 0.0000 174.6949 25 Q 3.8898 8.3517 122.8665 57.9681 29.0732 176.3484 26 Y 4.9786 7.3949 114.6809 56.0128 40.0889 175.3069 27 E 4.3489 8.6600 124.2113 55.6472 30.6385 176.0285 28 E 4.2103 8.5323 121.2947 57.6428 30.1022 176.7305 29 E 4.0028 9.1284 121.4753 57.2674 27.5383 174.1486 30 G 4.4236 7.9364 104.5988 44.6483 0.0000 172.0586 31 R 4.1832 8.2315 120.4601 54.7118 31.2235 175.3855 32 I 3.6867 7.3593 119.3631 58.4496 39.1978 173.9785 33 P 4.4728 0.0000 0.0000 61.6803 32.6607 175.6783 34 S 4.1959 8.7413 112.6521 58.6170 62.5241 175.2289 35 V 3.6396 8.0130 124.3259 65.1617 31.1903 178.1646 36 R 4.0100 8.5558 119.1797 59.7547 30.3149 177.9150 37 E 4.1498 7.9979 118.1357 59.5524 29.1326 178.6741 38 Y 4.0148 8.0784 118.8961 60.4001 38.9073 177.2046 39 A 3.9514 8.0953 120.5486 53.9112 18.4972 179.3233 40 S 4.0154 7.8900 112.2885 61.1696 62.4947 175.8526 41 I 3.8605 6.7915 111.8281 62.6603 37.4245 176.1738 42 V 4.2753 7.5968 112.1934 63.1741 37.6349 176.8532 *44 V 4.7263 7.3888 109.3674 61.5342 32.5914 174.6462 45 N 4.9329 7.9787 116.4104 51.9846 41.4408 173.2417 46 A 4.5252 8.4398 124.5409 53.6261 20.8039 178.3061 47 N 4.4673 7.9546 111.5534 55.4176 39.3861 175.7074 48 T 4.0674 8.0171 113.0889 64.9064 69.0304 174.7668 49 V 3.8575 6.9255 122.4872 62.8874 30.9836 176.6602 *51 R 3.9788 7.8123 116.7159 55.5716 32.3179 177.2920 52 S 4.6102 7.7404 113.1135 60.8543 64.1330 175.9049 53 Y 4.2175 8.1107 120.6926 59.3925 37.4431 178.4035 54 E 4.0499 8.2339 118.8603 59.6355 29.9414 178.3029 55 Y 4.1813 8.0513 120.7110 60.0664 38.9411 177.7352 56 L 3.7774 8.3942 120.1601 57.9344 41.6550 179.1370 57 Q 5.0489 8.5827 118.2530 56.9645 29.2004 176.7132 58 S 4.7185 7.8989 113.0879 58.8850 64.0869 174.7193 59 Q 4.3392 7.6895 120.3092 55.3538 29.3241 176.4666 60 E 3.9869 8.3572 119.1319 56.4315 27.7342 175.1442 61 V 3.8675 7.1301 116.2798 62.9248 31.7234 174.7171 62 I 4.3339 7.1716 117.6334 61.8283 41.2597 171.5733 63 Y 5.1416 7.5865 120.1733 56.2848 41.6322 172.9938 64 N 5.4961 8.6585 119.1328 50.5553 40.7580 174.2857 65 K 3.9486 8.8064 126.8497 56.4581 32.6142 176.7895 66 R 3.8824 8.4370 123.4812 58.8816 29.5882 176.3300 67 G 4.0095 9.4663 111.5036 45.2592 0.0000 172.5972 68 I 4.2983 8.3143 118.2839 62.4849 40.7365 174.7724 69 G 3.8060 6.4682 105.3610 44.0803 0.0000 171.9536 70 F 5.3544 8.7917 117.6091 56.1150 42.0113 175.0395 71 F 4.8949 8.5510 118.6781 55.3210 43.8362 174.2435 72 V 3.9066 9.1416 121.3630 62.6271 32.5077 175.1179 73 A 4.7419 8.5467 129.7961 51.4805 19.3135 177.0202 74 S 3.9455 9.2448 117.9650 61.9220 63.3263 174.6401 75 G 4.1730 9.0982 116.8384 45.9697 0.0000 173.9924 76 A 4.1742 8.8894 124.1185 54.6942 18.9405 181.5620 77 K 3.6805 8.0016 112.4964 57.3223 32.4679 177.8600 *79 L 4.3941 8.0081 121.5511 55.9341 42.4097 178.8064 80 I 3.6749 7.5029 119.6617 64.7040 36.8600 177.7700 81 H 4.1136 8.2560 116.2688 59.2001 27.7909 177.4941 82 S 4.4610 8.0153 114.0220 61.5054 62.2939 175.9703 83 L 4.5109 8.4421 120.1349 56.8244 41.2732 179.2456 84 R 4.1957 8.8012 120.0586 58.6801 29.8352 178.5619 85 K 3.8566 8.9457 120.8725 59.2498 32.1648 178.2310 86 E 4.2319 9.6643 116.7615 57.9192 28.4298 177.7633 87 Q 4.1986 7.6979 120.1668 57.8350 29.1757 176.9950 88 F 4.5205 8.0686 121.1295 60.8203 39.1772 176.1093 89 L 4.2632 7.4697 116.4775 55.1304 42.2028 176.7199 90 K 4.2996 8.0888 117.8037 57.4945 33.5512 176.3760 91 E 4.5385 7.9212 113.2908 55.9159 31.2349 176.3566 92 E 4.0763 7.4377 117.7192 57.6639 30.5676 177.6865 93 V 3.4616 7.3278 118.8389 63.7340 32.2804 178.4227 94 G 3.6486 7.9121 109.3020 48.4641 0.0000 174.9315 95 S 4.2786 8.0149 113.3447 60.1063 63.3250 173.8002 96 F 4.8975 8.9659 121.5331 59.3802 41.1126 176.6728 97 F 4.0997 8.4039 118.1767 60.5638 38.5848 177.6101 98 R 4.0545 8.2952 117.2592 59.7091 29.8600 178.8030 99 Q 3.9083 8.0224 117.1357 59.0599 28.9800 178.5214 100 L 3.9534 7.7121 119.2071 57.4201 41.3021 178.8628 101 Y 4.2993 7.3599 118.7366 61.0065 38.8752 176.8322 102 T 3.6900 8.2745 116.9090 66.9528 68.4017 176.3484 103 L 4.1361 8.3218 121.4264 55.6998 42.6751 177.2042 104 G 3.6603 7.7371 105.2328 46.1833 0.0000 173.9995 105 I 4.5845 7.1411 117.6737 58.9625 39.2951 177.3027 106 S 4.2081 9.6723 120.9373 58.3204 64.1775 174.7713 107 I 3.5687 8.1393 127.8918 64.4875 36.9750 178.6656 108 K 4.0588 7.8665 117.6741 58.5741 31.6444 178.6178 109 E 4.0514 7.8160 119.1469 59.3045 29.6759 178.6279 110 I 3.8761 7.6083 120.8197 64.0906 37.3053 178.1239 111 E 4.0848 8.1977 120.0042 59.1353 29.7181 178.5062 112 K 3.7194 7.4407 120.2758 58.3681 33.0155 176.6319 *114 Y 4.6876 7.8420 118.7411 57.2923 40.3988 175.6851 115 Y 4.6296 7.9802 115.0920 59.6961 39.0925 177.2463 116 E 4.1795 8.2973 119.5890 59.0443 29.7189 178.0584 117 F 3.8129 8.4255 120.1290 62.0013 39.1383 177.2669 118 I 3.7337 7.7780 118.5024 64.3196 36.6568 178.1391 119 Q 3.9443 7.5780 118.9941 58.2841 28.8938 177.4757 120 R 4.0356 7.5703 119.1871 58.9322 30.3773 177.6104 121 Q 3.9684 7.7668 116.3334 59.2309 28.7748 177.5684 122 N 4.6128 7.6158 120.4548 53.4414 38.8626 174.8979 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 9 I 8.02 4.15 1.90 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 1.32 1.08 0.96 0.00 0.00 10 Y 8.96 3.91 0.00 2.96 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 11 L 8.49 4.39 0.00 1.67 1.61 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.15 3.92 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 13 I 7.76 3.61 1.86 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 1.58 0.58 0.78 0.00 0.00 14 A 8.48 3.96 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 15 D 8.42 4.36 0.00 2.85 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 16 R 8.02 3.81 0.00 1.95 2.04 0.00 3.31 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 17 I 8.03 4.63 1.88 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.25 0.80 0.00 0.00 18 C 9.06 4.06 0.00 2.86 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.86 4.06 0.00 2.81 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 20 D 8.23 4.26 0.00 2.86 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 0.00 0.00 0.00 0.00 21 I 8.11 3.95 1.97 0.00 0.00 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 1.65 1.42 0.92 0.00 0.00 22 L 8.59 4.22 0.00 1.50 1.73 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.07 4.31 0.00 1.74 1.65 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.35 3.89 0.00 1.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 26 Y 7.39 4.98 0.00 2.98 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 27 E 8.66 4.35 0.00 2.10 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 2.44 2.40 0.00 28 E 8.53 4.21 0.00 2.01 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 2.35 2.36 0.00 29 E 9.13 4.00 0.00 2.22 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 0.00 2.30 2.44 0.00 30 G 7.94 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 0.00 0.00 0.00 0.00 31 R 8.23 4.18 0.00 1.11 1.48 0.00 2.82 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.35 0.00 32 I 7.36 3.69 1.39 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.07 0.00 0.00 33 P 0.00 4.47 0.00 2.39 2.13 0.00 3.42 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 34 S 8.74 4.20 0.00 3.88 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 35 V 8.01 3.64 1.73 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 0.70 0.00 0.00 -0.80 0.00 0.00 36 R 8.56 4.01 0.00 1.77 1.93 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 37 E 8.00 4.15 0.00 2.16 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 2.34 2.51 0.00 38 Y 8.08 4.01 0.00 3.07 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 39 A 8.10 3.95 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 40 S 7.89 4.02 0.00 3.90 3.87 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 41 I 6.79 3.86 1.70 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 0.61 0.18 0.87 0.00 0.00 42 V 7.60 4.28 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 0.44 0.00 0.00 0.87 0.00 0.00 *44 V 7.39 4.73 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 0.90 0.00 0.00 0.93 0.00 0.00 45 N 7.98 4.93 0.00 2.66 2.69 0.00 0.00 7.06 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 46 A 8.44 4.53 1.27 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 47 N 7.95 4.47 0.00 2.67 2.82 0.00 0.00 7.00 7.70 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 48 T 8.02 4.07 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 1.14 0.00 0.00 49 V 6.93 3.86 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 0.85 0.00 0.00 1.00 0.00 0.00 *51 R 7.81 3.98 0.00 1.55 0.66 0.00 2.96 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 52 S 7.74 4.61 0.00 4.03 4.08 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 53 Y 8.11 4.22 0.00 2.55 2.52 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 0.00 0.00 0.00 54 E 8.23 4.05 0.00 2.34 2.30 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 2.52 2.67 0.00 55 Y 8.05 4.18 0.00 3.40 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 56 L 8.39 3.78 0.00 1.71 1.60 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.58 5.05 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 58 S 7.90 4.72 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.69 4.34 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 5.62 0.00 0.00 0.00 0.00 0.00 1.94 1.40 0.00 60 E 8.36 3.99 0.00 2.10 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 0.00 2.20 2.20 0.00 61 V 7.13 3.87 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 0.69 0.00 0.00 0.93 0.00 0.00 62 I 7.17 4.33 1.79 0.00 0.00 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 1.50 0.92 0.93 0.00 0.00 63 Y 7.59 5.14 0.00 3.03 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 64 N 8.66 5.50 0.00 1.44 2.25 0.00 0.00 7.37 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 65 K 8.81 3.95 0.00 2.00 1.76 0.00 0.96 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.55 1.68 7.81 66 R 8.44 3.88 0.00 1.77 1.87 0.00 3.15 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 67 G 9.47 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.31 4.30 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 1.22 0.00 0.00 69 G 6.47 3.81 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 0.00 0.00 0.00 70 F 8.79 5.35 0.00 3.11 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 71 F 8.55 4.89 0.00 1.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.14 3.91 2.32 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 0.94 0.00 0.00 1.00 0.00 0.00 73 A 8.55 4.74 1.34 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 74 S 9.24 3.95 0.00 3.89 4.31 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 75 G 9.10 4.17 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 0.00 0.00 0.00 76 A 8.89 4.17 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 77 K 8.00 3.68 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.54 7.81 *79 L 8.01 4.39 0.00 1.85 1.97 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.50 3.67 1.82 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 1.52 0.98 0.92 0.00 0.00 81 H 8.26 4.11 0.00 3.17 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.02 4.46 0.00 3.91 4.08 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 83 L 8.44 4.51 0.00 1.65 1.75 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.80 4.20 0.00 1.93 1.97 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 85 K 8.95 3.86 0.00 1.81 1.91 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 86 E 9.66 4.23 0.00 2.26 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 0.00 2.51 2.33 0.00 87 Q 7.70 4.20 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 88 F 8.07 4.52 0.00 3.08 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 89 L 7.47 4.26 0.00 1.67 1.66 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.09 4.30 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.37 7.81 91 E 7.92 4.54 0.00 1.92 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 0.00 2.15 2.16 0.00 92 E 7.44 4.08 0.00 1.82 1.79 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 2.21 1.80 0.00 93 V 7.33 3.46 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.37 0.00 0.00 94 G 7.91 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.01 4.28 0.00 3.98 3.97 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 96 F 8.97 4.90 0.00 2.87 3.31 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 97 F 8.40 4.10 0.00 3.13 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 98 R 8.30 4.05 0.00 1.92 2.07 0.00 3.16 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 99 Q 8.02 3.91 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 100 L 7.71 3.95 0.00 1.44 1.51 -0.36 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.36 4.30 0.00 2.94 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 0.00 102 T 8.27 3.69 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 1.15 0.00 0.00 103 L 8.32 4.14 0.00 1.53 1.69 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.74 3.66 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 0.00 105 I 7.14 4.58 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.91 0.00 0.00 106 S 9.67 4.21 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.57 1.77 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.20 0.82 0.00 0.00 108 K 7.87 4.06 0.00 1.79 1.80 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 109 E 7.82 4.05 0.00 2.17 1.87 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 2.30 2.37 0.00 110 I 7.61 3.88 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 1.09 0.00 0.00 111 E 8.20 4.08 0.00 1.96 1.87 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 1.99 2.05 0.00 112 K 7.44 3.72 0.00 1.85 2.05 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.80 7.81 *114 Y 7.84 4.69 0.00 3.09 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 0.00 115 Y 7.98 4.63 0.00 3.10 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 0.00 116 E 8.30 4.18 0.00 2.15 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 2.44 2.49 0.00 117 F 8.43 3.81 0.00 3.12 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 0.00 118 I 7.78 3.73 1.69 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 1.03 0.73 0.78 0.00 0.00 119 Q 7.58 3.94 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 120 R 7.57 4.04 0.00 1.69 1.69 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 121 Q 7.77 3.97 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 122 N 7.62 4.61 0.00 2.76 2.68 0.00 0.00 6.92 7.44 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 * Residues marked with a * may have inaccurate shift predictions.