NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1646 8.0249 114.2698 59.8850 39.6554 174.9733 4 K 4.4537 7.7366 120.7197 54.0168 34.6783 172.5164 5 E 4.2399 9.3920 124.3124 55.8745 31.1845 176.4373 6 L 4.4847 8.2814 122.8358 54.9930 42.8912 176.5385 7 H 4.4249 9.3819 120.9649 55.8834 29.9142 174.4273 8 V 4.6775 8.4855 123.4673 61.1216 33.1177 174.6202 9 K 4.4184 9.0399 130.1529 54.9483 34.5358 175.0012 10 T 4.6475 8.4610 125.3706 62.8229 68.9860 174.8223 11 V 4.4662 8.1049 119.9362 59.3072 34.9923 175.4404 12 K 4.6671 8.6209 120.7023 54.0868 34.5368 176.2890 13 R 4.3807 8.7045 122.5905 58.2325 30.2084 176.5201 14 G 4.0591 9.2614 114.5622 45.1371 0.0000 173.4694 15 E 4.1177 8.3726 121.2217 56.4739 30.9653 175.1281 16 N 5.2513 8.5343 121.9647 51.7064 40.4318 174.4501 17 V 4.3703 8.6889 123.4597 61.5345 34.8191 174.4607 18 T 5.6211 7.7393 121.0830 60.8181 72.8142 172.5515 *20 E 4.5952 8.5817 120.1622 57.1828 30.8548 176.5585 21 C 4.9070 9.5950 122.0887 55.9157 47.5122 173.1709 22 S 4.3966 8.4702 122.3202 57.7961 64.2687 172.3088 *24 S 4.4074 8.8232 109.9713 57.8519 63.8785 175.5090 25 K 4.4337 7.6484 116.8579 55.8554 32.2872 176.6406 26 V 4.2040 7.4040 119.1783 62.4914 31.9252 176.0582 27 K 4.0034 8.9336 126.8773 58.4920 32.6434 176.5486 28 D 4.4196 8.5900 119.8516 52.0716 42.8796 175.6229 29 K 3.4899 8.3165 127.5070 59.1381 32.1045 179.3704 30 N 4.5947 7.9583 115.2283 55.5596 38.6831 175.8043 31 K 4.3545 8.0769 117.1643 55.8740 32.4333 174.7959 32 L 4.9955 7.5217 122.1742 53.4191 43.7476 175.2274 33 A 5.3799 8.9149 126.3112 50.8189 23.4162 174.6414 34 W 5.4398 9.2244 119.5247 55.5584 31.8296 175.1447 35 Y 5.4122 9.8894 120.9580 56.3663 41.0646 174.3844 36 R 4.4711 9.4907 124.8498 54.4854 32.6894 174.4267 37 Q 4.7230 8.6561 127.9808 54.0115 30.9131 174.7923 38 S 4.5454 8.3470 122.4381 57.7546 64.5423 173.8467 39 F 4.0960 8.8283 124.5716 59.9540 39.3757 175.5367 40 G 3.6817 8.1567 114.8908 45.5915 0.0000 172.7982 41 K 4.6593 7.4494 117.8226 53.8802 34.9874 176.3914 42 V 3.9608 8.0279 113.7825 60.7861 32.1731 174.7660 43 P 4.8215 0.0000 0.0000 63.0216 32.3572 175.8632 44 Q 4.8430 9.1932 120.6911 54.1364 33.0824 174.0460 45 Y 4.3517 9.1113 125.1668 57.9721 39.6886 175.9596 46 F 4.6520 8.8314 119.0926 55.9698 40.3547 174.6932 47 V 4.9616 6.7984 118.8217 60.3798 34.4931 173.4489 48 R 5.4284 9.3278 119.8107 54.1978 33.3739 173.7987 49 Y 5.0571 8.9189 121.5488 58.7373 39.7495 174.9115 50 Y 4.5531 7.7667 125.1562 55.9906 42.8892 174.6597 51 S 4.0684 7.5960 120.9997 57.1052 60.6957 172.5679 52 S 4.6277 7.3505 118.6397 56.1478 66.3167 174.8216 53 N 4.4942 8.7902 117.7359 56.4837 38.3934 177.1587 54 S 4.1364 7.9636 111.5152 59.9638 63.4242 175.2930 55 G 4.2462 9.9237 108.4170 44.3800 0.0000 171.6020 56 Y 5.4333 6.7357 114.9741 55.8924 40.8390 173.7696 57 K 4.3927 9.1482 121.3628 54.7031 35.8700 175.5480 58 F 5.0506 8.7573 125.0972 56.8987 40.1995 175.2591 59 A 4.1834 8.7829 123.8667 51.1005 19.4985 176.9286 60 E 4.0190 8.8478 120.9899 58.2276 29.9693 176.5935 61 G 4.0465 9.0950 113.9389 45.3847 0.0000 173.2878 62 F 4.1209 7.6933 121.9700 57.2389 39.8370 174.8042 63 K 3.8611 7.1860 128.5877 55.0439 34.3949 175.0529 64 D 4.1298 7.6157 126.3546 53.2094 42.5012 175.7723 65 S 4.3412 8.5858 122.4857 60.6371 63.3410 175.6352 66 R 4.1415 8.4278 120.4347 58.0994 30.2402 175.9945 67 F 5.0550 8.1945 117.2092 56.5741 39.8805 175.7375 68 S 4.2006 8.8486 119.5638 58.0729 68.9244 175.2518 *70 T 4.3586 8.6075 116.5736 63.4694 69.7660 172.9934 71 V 5.0688 8.3648 126.3113 60.9414 33.5752 174.4433 72 N 4.9553 8.7571 123.7188 52.5582 39.5309 174.3815 73 D 4.1786 8.8677 116.7589 57.0824 41.1228 177.1142 74 Q 4.4986 7.8863 116.6991 56.0345 30.5542 176.0124 75 K 4.8183 8.6005 116.2214 54.6940 35.6678 175.1776 76 F 5.5610 9.0786 122.4976 56.9903 38.0182 173.6093 77 D 5.0640 8.6421 119.8802 52.8380 43.4584 177.2283 78 L 4.2471 7.8832 123.9628 53.4248 44.0327 174.5966 79 N 5.2889 9.1326 123.5267 51.3864 42.1814 173.5285 80 I 4.4821 8.2006 122.7651 59.4255 40.6184 174.4086 81 I 4.3276 8.5576 129.0579 60.1708 37.8684 176.1132 82 G 3.5347 8.6653 116.9889 46.1734 0.0000 173.2741 83 T 4.2152 8.1346 113.7928 62.3833 68.6880 172.8324 84 R 4.8918 9.0468 124.1219 54.3842 34.7638 176.1469 85 E 2.8284 8.0839 118.1829 58.9922 29.4291 179.4983 86 D 4.3834 7.8867 117.2165 56.1406 39.3311 177.1261 87 D 4.7290 8.3476 118.6572 55.3261 41.2802 177.0603 88 G 3.9877 7.9331 109.0539 45.3705 0.0000 174.5796 89 G 3.8685 7.3035 108.8603 44.6257 0.0000 170.9605 90 E 5.2268 8.1227 119.1467 54.6566 33.0814 175.0478 91 Y 5.0129 8.9538 120.4509 56.2089 41.7340 174.5838 92 F 5.6528 9.6689 122.3321 55.9464 43.1844 173.0902 93 C 4.5951 9.2838 124.0274 54.8554 44.9590 172.5810 94 G 4.3808 9.4284 113.5204 44.2259 0.0000 170.5793 95 E 5.1090 8.6568 124.7099 53.7422 31.8586 175.3277 96 V 3.9284 8.3857 128.3879 62.9258 32.2864 175.9103 97 E 4.3794 9.0763 125.8282 55.4502 31.5521 176.5766 98 G 3.9450 8.1598 118.6330 47.2463 0.0000 174.5053 99 N 4.5691 8.9663 123.1523 53.9026 38.9499 174.1464 100 T 4.6338 7.4091 106.6392 59.6302 72.1144 172.0941 101 I 4.5127 7.8303 121.5870 59.1344 40.0927 174.2358 102 K 4.3017 8.3194 129.3192 54.5536 34.4326 174.6719 103 F 5.1041 8.5321 126.8153 56.7131 39.1151 175.9308 104 T 4.2738 8.7269 115.2206 63.1273 69.6600 174.7538 105 S 4.8018 7.7566 115.2556 57.7160 66.4342 173.3601 106 G 4.9070 8.5529 105.9914 46.1733 0.0000 172.0782 107 T 5.4042 9.3889 117.5366 61.6524 73.1296 172.9359 108 R 4.8820 9.3944 126.7572 55.0106 32.0496 174.5007 109 L 5.0023 9.1861 129.9960 53.8325 43.6483 175.1854 110 Q 5.0612 8.9325 123.5605 54.5146 32.8979 175.5049 111 F 4.4476 8.7282 117.1934 57.7916 39.7960 175.2723 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 3 I 8.02 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.91 0.00 0.00 4 K 7.74 4.45 0.00 1.82 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.53 7.81 5 E 9.39 4.24 0.00 1.95 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 2.32 2.28 0.00 6 L 8.28 4.48 0.00 1.61 1.72 1.10 1.42 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 7 H 9.38 4.42 0.00 3.21 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.49 4.68 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 0.78 0.00 0.00 0.98 0.00 0.00 9 K 9.04 4.42 0.00 1.83 1.53 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.34 7.81 10 T 8.46 4.65 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 1.15 0.00 0.00 11 V 8.10 4.47 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 0.52 0.00 0.00 -0.01 0.00 0.00 12 K 8.62 4.67 0.00 1.78 1.70 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.29 7.81 13 R 8.70 4.38 0.00 1.81 1.90 0.00 3.18 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 14 G 9.26 4.06 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 0.00 15 E 8.37 4.12 0.00 2.06 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 2.23 2.24 0.00 16 N 8.53 5.25 0.00 2.58 2.64 0.00 0.00 6.70 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 17 V 8.69 4.37 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 0.83 0.00 0.00 0.78 0.00 0.00 18 T 7.74 5.62 4.15 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 1.17 0.00 0.00 *20 E 8.58 4.60 0.00 1.93 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 0.00 2.43 2.32 0.00 21 C 9.59 4.91 0.00 3.12 3.48 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 22 S 8.47 4.40 0.00 3.98 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 *24 S 8.82 4.41 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 25 K 7.65 4.43 0.00 1.74 1.75 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.38 7.81 26 V 7.40 4.20 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 1.03 0.00 0.00 0.79 0.00 0.00 27 K 8.93 4.00 0.00 1.85 1.77 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 D 8.59 4.42 0.00 2.50 2.38 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 29 K 8.32 3.49 0.00 0.90 0.74 0.00 1.35 0.00 0.00 1.30 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 1.11 7.81 30 N 7.96 4.59 0.00 2.87 2.92 0.00 0.00 6.96 7.49 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 31 K 8.08 4.35 0.00 1.86 1.90 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.30 7.81 32 L 7.52 5.00 0.00 1.44 1.13 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.91 5.38 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 34 W 9.22 5.44 0.00 2.88 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 35 Y 9.89 5.41 0.00 3.38 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 36 R 9.49 4.47 0.00 1.32 1.50 0.00 2.55 0.00 0.00 2.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.00 37 Q 8.66 4.72 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 38 S 8.35 4.55 0.00 3.81 3.79 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 39 F 8.83 4.10 0.00 3.01 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 40 G 8.16 3.68 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 0.00 41 K 7.45 4.66 0.00 1.89 1.71 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.41 7.81 42 V 8.03 3.96 2.14 0.00 0.00 0.00 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 0.99 0.00 0.00 43 P 0.00 4.82 0.00 2.19 2.29 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 44 Q 9.19 4.84 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 45 Y 9.11 4.35 0.00 2.32 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 46 F 8.83 4.65 0.00 2.40 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 47 V 6.80 4.96 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 0.04 0.00 0.00 0.51 0.00 0.00 48 R 9.33 5.43 0.00 2.06 2.12 0.00 2.82 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 49 Y 8.92 5.06 0.00 2.79 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 50 Y 7.77 4.55 0.00 2.94 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 51 S 7.60 4.07 0.00 3.74 3.42 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 52 S 7.35 4.63 0.00 3.98 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 53 N 8.79 4.49 0.00 2.71 2.93 0.00 0.00 6.89 7.57 0.00 0.00 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 S 7.96 4.14 0.00 3.73 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 55 G 9.92 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 0.00 0.00 0.00 0.00 56 Y 6.74 5.43 0.00 2.92 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 57 K 9.15 4.39 0.00 1.29 1.48 0.00 1.34 0.00 0.00 1.03 0.00 0.00 2.51 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.17 1.28 7.81 58 F 8.76 5.05 0.00 3.17 3.11 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 59 A 8.78 4.18 0.60 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 60 E 8.85 4.02 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 2.33 2.32 0.00 61 G 9.10 4.05 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 62 F 7.69 4.12 0.00 2.97 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 63 K 7.19 3.86 0.00 1.49 1.36 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 1.26 7.81 64 D 7.62 4.13 0.00 1.86 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 0.00 0.00 0.00 0.00 65 S 8.59 4.34 0.00 4.04 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 66 R 8.43 4.14 0.00 2.18 2.09 0.00 3.38 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 67 F 8.19 5.05 0.00 3.24 3.40 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 68 S 8.85 4.20 0.00 3.96 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 *70 T 8.61 4.36 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 1.24 0.00 0.00 71 V 8.36 5.07 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 1.34 0.00 0.00 1.18 0.00 0.00 72 N 8.76 4.96 0.00 3.02 2.98 0.00 0.00 6.57 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 73 D 8.87 4.18 0.00 2.72 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 74 Q 7.89 4.50 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 75 K 8.60 4.82 0.00 2.03 1.76 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.65 7.81 76 F 9.08 5.56 0.00 2.97 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 77 D 8.64 5.06 0.00 2.59 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 78 L 7.88 4.25 0.00 0.27 0.36 0.90 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.13 5.29 0.00 2.53 2.50 0.00 0.00 6.39 7.89 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 80 I 8.20 4.48 1.48 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.58 0.00 0.00 81 I 8.56 4.33 1.83 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 1.10 0.46 0.94 0.00 0.00 82 G 8.67 3.53 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 0.00 0.00 0.00 83 T 8.13 4.22 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 1.35 0.00 0.00 84 R 9.05 4.89 0.00 2.02 1.62 0.00 3.15 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 85 E 8.08 2.83 0.00 1.70 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 2.07 1.47 0.00 86 D 7.89 4.38 0.00 2.76 2.76 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 87 D 8.35 4.73 0.00 3.02 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 88 G 7.93 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 89 G 7.30 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 0.00 0.00 0.00 90 E 8.12 5.23 0.00 1.62 1.51 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 2.29 2.29 0.00 91 Y 8.95 5.01 0.00 2.92 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 92 F 9.67 5.65 0.00 2.82 2.38 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 93 C 9.28 4.60 0.00 1.23 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 94 G 9.43 4.38 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 0.00 95 E 8.66 5.11 0.00 1.85 1.65 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 2.06 2.06 0.00 96 V 8.39 3.93 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 0.75 0.00 0.00 0.87 0.00 0.00 97 E 9.08 4.38 0.00 2.03 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 2.22 2.14 0.00 98 G 8.16 3.95 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 0.00 0.00 0.00 99 N 8.97 4.57 0.00 2.69 2.85 0.00 0.00 6.53 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 0.00 100 T 7.41 4.63 4.15 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 1.16 0.00 0.00 101 I 7.83 4.51 1.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.65 0.21 0.00 0.00 102 K 8.32 4.30 0.00 1.88 1.46 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.34 7.81 103 F 8.53 5.10 0.00 2.90 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 0.00 104 T 8.73 4.27 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 1.16 0.00 0.00 105 S 7.76 4.80 0.00 4.07 4.05 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 0.00 106 G 8.55 4.91 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 0.00 107 T 9.39 5.40 4.38 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 1.31 0.00 0.00 108 R 9.39 4.88 0.00 1.93 1.87 0.00 3.18 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 109 L 9.19 5.00 0.00 1.90 1.71 0.74 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.93 5.06 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 111 F 8.73 4.45 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.