NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3422 8.3149 120.1416 55.4059 33.6672 175.5145 2 P 4.3300 0.0000 0.0000 61.7159 32.2324 176.3995 3 G 3.6364 9.1099 111.8271 48.4473 0.0000 175.2568 4 A 4.0802 8.1925 122.0460 55.6013 18.2650 178.6065 5 M 3.9212 7.6100 113.8982 57.7435 31.9945 176.7434 6 Y 4.8402 8.1126 113.1593 57.2176 40.4715 176.1569 7 R 4.3953 7.9363 116.2106 56.9128 30.1381 175.8618 8 N 5.0482 7.8358 115.9828 52.3353 40.5684 175.0382 9 S 4.7605 8.2458 116.4654 58.1813 62.8661 175.2507 10 S 4.4260 7.8669 113.8799 58.9926 64.0426 174.5582 11 K 4.4604 7.6584 120.1487 54.2357 33.4313 174.4200 12 P 4.4465 0.0000 0.0000 62.2146 31.8778 176.4592 13 A 4.2899 8.4379 123.5790 52.5287 18.9888 177.1932 14 Y 4.8803 8.7520 122.9673 56.0721 39.6145 175.2840 15 T 4.5477 8.1250 112.9267 60.6776 71.0617 175.1448 16 R 4.2255 7.7871 121.8406 56.1166 28.6089 177.1333 17 R 3.8826 8.2928 123.2940 58.3017 30.3765 178.9635 18 E 3.8513 7.8476 114.6751 58.1234 29.7365 176.8696 19 Y 4.8378 7.7832 115.2911 57.4065 39.2366 175.1728 20 I 4.6588 7.5163 121.0548 59.3884 40.4392 174.7632 21 S 4.7197 8.3442 118.3201 57.0830 65.9548 172.9669 22 G 3.8383 8.5232 105.8550 46.7679 0.0000 173.8214 23 I 4.1389 7.7217 119.9160 59.1400 38.2267 174.6992 24 P 4.3803 0.0000 0.0000 62.0958 31.8631 176.6818 25 G 3.7672 8.3334 110.3373 45.2530 0.0000 173.1845 26 K 4.1643 8.2819 121.7450 55.8770 32.8547 177.1665 27 K 4.2692 8.8165 123.2739 56.9058 32.5915 177.0096 28 I 3.9940 7.6038 120.6924 61.0423 37.1489 175.6854 29 A 4.1577 10.1508 130.6280 54.7576 18.4114 177.1740 30 Q 4.8279 7.5462 111.0398 54.7070 33.2192 174.5377 31 F 4.5114 8.9720 115.9664 57.3389 42.3248 174.8375 32 D 5.5359 8.4152 118.1450 52.8148 42.7539 175.6157 33 M 4.7952 9.1556 122.4434 54.2558 36.3353 176.2806 34 G 3.3703 8.7879 106.2895 46.1942 0.0000 176.0497 35 N 4.6095 8.4565 113.4538 52.2968 36.8921 175.2579 36 N 4.6751 8.1988 116.7599 53.6868 38.3350 177.5230 37 G 3.6064 8.0275 108.0980 47.9591 0.0000 174.0856 38 A 4.4346 7.5778 121.8907 50.9594 20.0371 176.5713 39 G 4.0673 8.0548 108.2714 43.0287 0.0000 172.2972 40 P 4.2750 0.0000 0.0000 62.8221 29.4043 177.1234 41 T 4.6259 7.6686 111.7804 61.3921 69.6457 174.7748 42 Y 4.7554 7.8169 117.8158 56.6562 40.8545 174.8041 43 P 4.3916 0.0000 0.0000 65.4345 31.9546 176.5767 44 A 5.6257 8.0574 119.7204 49.9524 21.6843 176.0675 45 Q 4.4764 8.5045 121.1780 54.7961 31.7990 173.6426 46 V 4.8830 8.0826 126.4296 61.5317 34.2096 174.3769 47 E 4.9342 9.8590 124.8953 54.4519 34.3428 174.2504 48 L 4.2916 7.7870 125.2048 53.3989 43.9141 175.1387 49 V 4.7251 8.5725 127.6248 60.9155 33.3174 175.0167 50 V 3.9545 8.2521 128.6877 63.1231 32.3344 175.8949 51 E 4.6217 8.4962 125.7995 56.2042 30.0233 176.0998 52 K 4.5656 7.5244 117.5980 54.2668 36.1717 173.6791 53 P 4.6472 0.0000 0.0000 62.9916 32.0129 175.9862 54 V 4.5568 8.7378 116.3222 60.8336 37.3518 172.4977 55 Q 5.0428 8.7070 119.9767 54.3955 31.5582 175.3782 56 I 4.4738 8.7764 124.4162 59.2015 40.0979 175.6501 57 R 4.4894 8.6455 126.8914 56.2023 30.7621 177.8144 58 H 4.2066 8.8925 117.6371 58.4551 28.2049 177.6114 59 N 4.1149 7.9703 119.1475 56.4925 38.4230 176.8683 60 A 4.0281 7.8633 121.4556 54.8876 18.5528 179.4571 61 L 3.8502 7.9696 117.6047 58.0236 41.7210 179.2043 62 E 3.8897 8.2002 118.8698 59.4258 29.5096 178.8100 63 A 3.9955 8.0438 120.3593 54.7938 18.2415 179.6079 64 A 3.9333 8.4172 119.8078 55.3325 18.5638 179.8481 65 R 3.8193 8.6323 117.6250 59.5060 30.1736 178.6629 66 V 3.5607 7.9852 117.8292 66.2277 31.3720 177.8530 67 A 4.0203 7.8611 118.4271 54.5226 18.3388 179.0416 68 A 4.4046 7.5056 120.6939 54.2118 18.9194 179.2178 69 N 3.9642 8.5665 115.9678 56.6859 38.8641 177.0341 70 R 3.6349 8.4493 119.4884 59.1660 30.3514 177.1782 71 Y 4.3461 7.3957 119.0029 59.4612 38.6906 177.3173 72 V 3.1398 7.3691 116.8310 62.5258 31.9473 176.6434 73 Q 4.4229 7.7706 120.2553 55.7358 27.4791 175.1851 74 N 4.7207 7.2904 112.3147 52.9195 40.9039 174.0770 75 S 4.5072 7.6810 110.8871 58.0817 65.2445 174.8748 76 G 4.0071 8.2643 107.4154 44.6549 0.0000 174.3573 77 A 3.9817 8.6198 123.5150 54.3505 18.4133 178.1875 78 A 4.6522 7.6179 117.4200 51.4859 19.6347 175.9023 79 A 4.2104 7.8843 122.7570 53.9280 19.0813 178.9212 80 N 4.7507 8.2627 119.1818 51.8725 37.7315 173.1178 81 Y 4.7814 7.0638 119.9323 55.6624 41.5209 173.1817 82 K 5.0512 8.5004 118.6191 55.2792 36.2826 174.6723 83 F 5.9044 9.4236 126.5905 56.6783 42.1352 174.1729 84 R 5.4099 9.5283 124.6817 53.4091 34.0799 174.0837 85 I 4.5607 8.4613 124.8372 59.3138 37.9688 175.2935 86 R 4.3614 8.4658 126.7018 57.7732 29.9859 177.0344 87 K 4.7065 7.8196 119.0666 54.9827 33.7708 175.6031 88 F 4.7729 8.4931 120.2985 54.8746 41.7680 174.8461 89 P 4.6991 0.0000 0.0000 62.8130 29.1321 175.6597 90 F 4.4451 8.1728 125.3779 60.9137 39.9418 175.3999 91 H 4.6377 8.3460 121.3695 55.7756 30.2883 175.0051 92 V 4.3348 8.4911 127.7800 62.8434 32.0366 175.2399 93 I 4.6828 8.6868 121.0667 59.2728 40.5563 174.6787 94 R 5.2024 8.2691 121.7464 53.9842 33.9219 174.3537 95 E 4.5819 8.2082 118.2659 55.7157 33.1784 174.0717 96 N 5.1171 8.8707 126.3563 52.2081 37.9197 173.4075 97 K 4.5224 7.7609 124.6723 54.3976 31.8767 175.6409 *109 D 4.4741 7.7517 121.6864 54.9116 43.9919 171.8123 110 G 4.1280 8.9302 117.7497 46.2996 0.0000 173.3619 111 M 4.3736 9.1194 120.5358 54.8714 33.4944 176.4220 112 R 3.8284 7.9841 119.2724 57.4329 31.4287 176.3963 113 A 3.7938 8.2645 124.8539 53.0029 15.5506 175.1263 114 P 4.9229 0.0000 0.0000 61.9880 32.6525 176.9050 115 F 3.9802 8.2981 122.1713 58.5773 39.2416 174.7332 116 G 3.9697 8.0891 115.9633 46.0814 0.0000 171.5619 117 K 4.8515 8.4172 118.4537 53.9671 35.3325 174.2449 118 P 4.6581 0.0000 0.0000 63.9359 31.2301 176.3128 119 V 4.3071 8.6545 116.0131 60.5474 34.1129 175.5038 120 G 4.0361 7.0134 105.3546 46.5155 0.0000 171.8385 121 T 5.3449 7.6782 107.9192 60.2077 72.9270 172.5852 122 A 5.1338 8.9551 122.3794 50.7874 23.5449 174.7166 123 A 4.9892 8.9481 121.3097 50.2436 21.8911 176.0670 124 R 4.8491 8.6555 121.0844 55.0355 31.4431 176.0277 125 V 4.4497 8.6862 124.5401 61.3264 34.5453 174.3793 126 H 4.7409 8.9574 124.4919 54.0204 30.0950 174.9028 127 G 3.8558 8.5306 111.2212 47.7828 0.0000 173.4153 128 A 3.9371 10.1799 126.9504 51.5270 18.2690 177.9795 129 N 4.7808 7.9886 113.5469 52.8922 40.3137 173.7287 130 H 5.0720 8.1541 116.7972 54.4836 29.8896 174.6482 131 I 3.8771 8.3951 122.8241 62.1469 39.4900 175.2326 132 F 5.3341 7.5754 119.2529 55.5269 42.8892 174.4138 133 I 5.0946 9.1798 122.4356 59.7098 40.8522 174.1955 134 A 5.5297 9.4040 128.1807 49.9207 23.1353 174.7473 135 W 5.2675 9.0824 118.8714 54.8638 32.6929 175.2304 136 V 4.9353 8.7656 123.2868 60.2147 34.8311 174.4199 137 N 5.0407 8.9144 118.7373 51.5988 40.1769 172.2039 138 P 4.3894 0.0000 0.0000 62.3325 31.0441 176.6316 139 D 4.5618 7.6476 125.2184 51.9331 41.9543 175.9667 140 P 4.4951 0.0000 0.0000 63.2179 29.1541 176.5714 141 N 4.6546 7.8126 118.6250 53.9439 39.6157 176.8277 142 V 3.0823 7.2634 120.7810 64.5443 31.4962 177.9763 143 E 3.8488 7.8657 118.6194 59.0438 29.1179 178.6195 144 E 3.9844 8.1048 119.0169 58.6017 29.4000 178.2841 145 A 3.8897 7.6937 120.2870 53.8720 18.3154 178.7362 146 W 4.8473 7.4469 115.7568 57.8067 29.6049 178.5293 147 R 4.0205 7.5660 118.8747 58.8137 30.0996 177.5672 148 R 4.1267 7.8464 115.8948 57.8578 31.0505 178.5558 149 A 4.0730 8.0377 121.1826 55.2111 18.5337 179.1970 150 K 4.3769 7.9230 110.8635 58.1093 32.4109 177.4541 151 M 4.2080 7.5237 119.0902 57.1540 32.4339 176.8223 152 K 4.6409 8.0455 116.5296 55.8150 32.7782 175.9641 153 V 4.5203 7.4508 110.9635 59.5037 34.9972 175.5126 154 T 3.9572 8.7977 120.9045 66.4941 68.4077 173.0121 155 P 4.4876 0.0000 0.0000 62.7509 32.3237 175.6181 156 T 4.4147 8.0941 115.0825 63.3911 69.8971 174.0280 157 I 5.0410 8.1416 123.4815 59.6538 41.9388 173.9017 158 N 4.8969 9.0970 122.8560 52.0072 41.2351 173.4571 159 I 4.7374 8.4984 127.4894 60.4457 38.0422 174.3237 160 D 4.9653 9.0089 128.0473 52.3950 43.4202 174.7055 161 S 4.8450 8.7341 120.2660 58.5657 63.9159 171.0289 162 S 4.3560 9.3716 122.7841 58.7918 63.9892 173.7083 163 P 4.3472 0.0000 0.0000 64.1284 32.4551 175.6761 164 A 4.8765 8.0315 127.2717 52.3004 19.8622 175.8234 165 G 4.1202 8.2449 111.3082 45.4074 0.0000 172.3846 166 N 4.7518 8.0120 115.1105 51.5116 37.8013 175.1638 167 A 4.2899 7.5975 124.2603 52.2990 19.1698 177.4583 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 K 8.31 4.34 0.00 1.90 1.92 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 2 P 0.00 4.33 0.00 2.24 1.96 0.00 3.61 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 2.10 2.15 0.00 3 G 9.11 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.19 4.08 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 5 M 7.61 3.92 0.00 1.02 1.68 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 6 Y 8.11 4.84 0.00 2.86 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 7 R 7.94 4.40 0.00 2.00 2.29 0.00 3.11 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 8 N 7.84 5.05 0.00 2.72 2.76 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 9 S 8.25 4.76 0.00 3.82 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 10 S 7.87 4.43 0.00 3.97 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 11 K 7.66 4.46 0.00 1.84 1.81 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 12 P 0.00 4.45 0.00 2.11 2.04 0.00 3.70 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 2.11 0.00 13 A 8.44 4.29 1.33 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 0.00 0.00 0.00 14 Y 8.75 4.88 0.00 2.93 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 15 T 8.12 4.55 4.27 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 1.37 0.00 0.00 16 R 7.79 4.23 0.00 2.10 2.09 0.00 3.31 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 17 R 8.29 3.88 0.00 1.80 1.92 0.00 3.11 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 18 E 7.85 3.85 0.00 1.45 1.77 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 1.55 1.47 0.00 19 Y 7.78 4.84 0.00 2.92 2.94 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 0.00 0.00 0.00 20 I 7.52 4.66 1.73 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.83 0.00 0.00 21 S 8.34 4.72 0.00 3.93 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 22 G 8.52 3.84 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 0.00 0.00 0.00 23 I 7.72 4.14 1.85 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 1.38 0.58 0.88 0.00 0.00 24 P 0.00 4.38 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 25 G 8.33 3.77 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 0.00 26 K 8.28 4.16 0.00 1.73 1.76 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.61 1.52 7.81 27 K 8.82 4.27 0.00 1.74 1.82 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.50 7.81 28 I 7.60 3.99 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.43 0.14 0.00 0.00 29 A 10.15 4.16 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 30 Q 7.55 4.83 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 31 F 8.97 4.51 0.00 3.04 3.09 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 32 D 8.42 5.54 0.00 2.65 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 33 M 9.16 4.80 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.73 0.00 34 G 8.79 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 0.00 0.00 0.00 35 N 8.46 4.61 0.00 2.75 2.79 0.00 0.00 7.19 6.93 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 36 N 8.20 4.68 0.00 2.85 2.99 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.03 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 4.43 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 39 G 8.05 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.28 0.00 1.63 0.70 0.00 3.40 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.00 41 T 7.67 4.63 4.13 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 1.18 0.00 0.00 42 Y 7.82 4.76 0.00 3.17 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.03 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 A 8.06 5.63 1.36 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 45 Q 8.50 4.48 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.44 0.00 46 V 8.08 4.88 1.99 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 1.33 0.00 0.00 0.88 0.00 0.00 47 E 9.86 4.93 0.00 1.72 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 0.00 2.05 2.33 0.00 48 L 7.79 4.29 0.00 0.27 0.94 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.57 4.73 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 0.97 0.00 0.00 0.90 0.00 0.00 50 V 8.25 3.95 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.50 4.62 0.00 2.00 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 2.27 2.26 0.00 52 K 7.52 4.57 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.65 0.00 1.84 1.70 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 54 V 8.74 4.56 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 0.68 0.00 0.00 0.94 0.00 0.00 55 Q 8.71 5.04 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 56 I 8.78 4.47 1.83 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 1.21 0.73 0.86 0.00 0.00 57 R 8.65 4.49 0.00 1.86 1.85 0.00 2.95 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 58 H 8.89 4.21 0.00 3.34 3.49 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.97 4.11 0.00 2.74 2.84 0.00 0.00 7.04 8.04 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 60 A 7.86 4.03 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 61 L 7.97 3.85 0.00 1.75 1.56 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.20 3.89 0.00 2.04 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 0.00 2.34 2.37 0.00 63 A 8.04 4.00 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 64 A 8.42 3.93 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 0.00 0.00 0.00 0.00 0.00 65 R 8.63 3.82 0.00 2.16 1.99 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 66 V 7.99 3.56 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 0.97 0.00 0.00 1.03 0.00 0.00 67 A 7.86 4.02 1.41 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 0.00 0.00 68 A 7.51 4.40 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 0.00 0.00 0.00 0.00 0.00 69 N 8.57 3.96 0.00 2.99 2.90 0.00 0.00 6.94 7.42 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 70 R 8.45 3.63 0.00 1.91 2.01 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 71 Y 7.40 4.35 0.00 3.05 3.02 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 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6.81 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 81 Y 7.06 4.78 0.00 3.13 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 82 K 8.50 5.05 0.00 1.98 1.92 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.04 1.61 7.81 83 F 9.42 5.90 0.00 3.31 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 84 R 9.53 5.41 0.00 1.98 1.97 0.00 3.41 0.00 0.00 3.45 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 85 I 8.46 4.56 1.70 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.08 0.53 0.00 0.00 86 R 8.47 4.36 0.00 1.96 2.16 0.00 3.19 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 87 K 7.82 4.71 0.00 1.64 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.32 7.81 88 F 8.49 4.77 0.00 2.07 2.21 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 89 P 0.00 4.70 0.00 2.13 2.06 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 90 F 8.17 4.45 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 91 H 8.35 4.64 0.00 3.41 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.49 4.33 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 0.84 0.00 0.00 0.83 0.00 0.00 93 I 8.69 4.68 1.54 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 1.19 0.26 0.96 0.00 0.00 94 R 8.27 5.20 0.00 1.49 1.60 0.00 2.48 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.00 95 E 8.21 4.58 0.00 2.20 1.80 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 2.32 2.34 0.00 96 N 8.87 5.12 0.00 2.93 2.68 0.00 0.00 6.84 6.03 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 125 V 8.69 4.45 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 1.00 0.00 0.00 0.88 0.00 0.00 126 H 8.96 4.74 0.00 3.28 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.53 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 0.00 0.00 0.00 128 A 10.18 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.99 4.78 0.00 2.67 2.66 0.00 0.00 6.54 8.30 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 0.00 130 H 8.15 5.07 0.00 3.00 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.40 3.88 1.62 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 0.32 0.97 0.60 0.00 0.00 132 F 7.58 5.33 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.81 4.65 0.00 2.51 2.66 0.00 0.00 6.75 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 0.00 142 V 7.26 3.08 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 0.47 0.00 0.00 -0.34 0.00 0.00 143 E 7.87 3.85 0.00 1.94 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 2.43 2.36 0.00 144 E 8.10 3.98 0.00 2.05 2.18 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 2.11 1.78 0.00 145 A 7.69 3.89 1.08 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 0.00 0.00 146 W 7.45 4.85 0.00 3.55 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 0.00 147 R 7.57 4.02 0.00 1.70 1.99 0.00 3.21 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 148 R 7.85 4.13 0.00 1.80 1.86 0.00 2.80 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 149 A 8.04 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.92 4.38 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 151 M 7.52 4.21 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 152 K 8.05 4.64 0.00 1.78 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.45 4.52 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 0.75 0.00 0.00 0.94 0.00 0.00 154 T 8.80 3.96 4.24 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 1.21 0.00 0.00 155 P 0.00 4.49 0.00 2.15 2.04 0.00 3.62 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 1.96 1.95 0.00 156 T 8.09 4.41 4.23 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 1.23 0.00 0.00 157 I 8.14 5.04 1.86 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 1.19 0.76 0.86 0.00 0.00 158 N 9.10 4.90 0.00 2.70 2.63 0.00 0.00 7.49 7.73 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 0.00 159 I 8.50 4.74 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.14 0.00 0.00 160 D 9.01 4.97 0.00 2.71 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 0.00 161 S 8.73 4.84 0.00 3.95 3.75 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 0.00 162 S 9.37 4.36 0.00 3.92 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 0.00 163 P 0.00 4.35 0.00 2.32 2.12 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 164 A 8.03 4.88 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 0.00 165 G 8.24 4.12 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 0.00 0.00 0.00 166 N 8.01 4.75 0.00 2.73 2.80 0.00 0.00 7.03 7.35 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 0.00 167 A 7.60 4.29 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.