NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.5025 8.4444 118.7874 56.1371 31.0429 174.6340 2 W 5.3011 9.5833 129.8957 55.7327 34.1036 174.0900 3 T 3.4568 9.1941 122.1784 66.6803 68.7879 174.4586 4 G 2.3246 5.3800 106.3733 44.6206 0.0000 173.2368 5 D 4.5672 7.6563 120.2636 54.0192 42.0724 176.2380 6 A 4.7351 8.1993 123.3139 50.5233 16.0617 176.5695 7 R 4.6595 7.4962 118.6134 53.5192 35.3012 175.0370 8 D 4.1336 8.5732 120.6193 54.8643 41.1792 176.3059 9 G 3.1497 7.2319 111.7804 45.6559 0.0000 172.6158 *11 F 5.0288 8.6282 121.8263 57.5044 40.5627 174.2939 12 S 4.8325 8.8116 118.3075 57.1074 65.7780 173.7091 13 G 3.7875 8.5548 108.4022 46.7145 0.0000 173.3822 14 V 4.2970 7.8993 120.2313 61.2688 33.1321 174.6590 15 V 4.3793 8.1020 128.2711 61.7830 33.0045 174.7946 16 I 4.5559 8.5622 129.5863 61.6290 36.8416 175.4991 17 T 4.7367 9.0295 117.6913 61.7141 70.9815 174.5951 18 Q 4.8807 8.1412 120.1188 54.1790 33.3380 174.0370 19 F 5.1061 8.5247 123.0073 57.1678 42.6903 172.9545 20 H 5.1870 9.2860 124.8553 54.8317 33.6042 171.7149 21 T 4.7838 8.2864 118.1720 60.4968 70.2951 173.3302 22 G 3.6784 7.4432 115.6772 45.7957 0.0000 171.6449 23 Q 5.2048 8.6256 123.3434 54.8302 32.4303 174.1902 24 I 4.5618 8.5030 123.9922 60.5526 41.3390 174.2757 25 D 4.2522 9.5716 124.8946 55.4668 39.4437 173.0947 26 N 4.2680 8.3753 110.5137 53.8444 37.8750 172.8071 27 K 4.5022 7.9194 116.2524 53.0849 34.8475 174.3201 28 P 4.7993 0.0000 0.0000 63.1212 32.1077 174.8132 29 Y 5.4686 8.2142 117.3811 55.8436 41.9256 173.4791 30 F 5.5101 9.5479 114.6381 55.5226 42.1731 172.8401 31 C 5.4605 9.6233 116.6422 55.1591 38.6999 173.2491 32 I 5.1095 8.5299 114.4742 59.1320 41.1178 173.7578 33 E 5.0905 8.8800 122.9091 54.7941 33.3412 174.4902 34 G 4.7384 8.9010 111.5306 44.8017 0.0000 171.1746 35 K 5.0617 8.8897 117.3713 55.0936 36.4629 175.4749 36 Q 5.0654 7.3841 118.8545 53.5829 30.4719 174.0543 37 S 4.2049 8.5149 114.3731 61.2216 63.6337 175.3906 38 A 3.9681 8.0623 123.0899 56.3675 17.8681 177.2215 39 G 3.5419 8.1657 100.9280 44.9049 0.0000 174.0708 40 S 4.1478 7.8617 116.8471 57.6980 63.7205 173.9246 41 S 4.5544 8.3391 120.1849 58.8976 63.6672 173.4633 42 I 4.4558 8.6802 122.5606 59.4159 41.0658 174.0497 43 S 5.3842 8.6191 124.2867 57.0151 65.7571 173.2820 44 A 4.9489 8.5646 122.8314 51.0866 22.9519 174.5697 45 C 5.3027 9.5025 118.2347 55.2868 38.4662 173.1448 46 S 5.0371 8.0053 115.9831 56.2446 65.9441 172.3529 *48 K 4.0419 8.3122 120.1689 57.3472 32.4635 175.3038 49 N 4.3557 9.0627 120.8343 54.0005 36.0144 174.3694 50 S 4.4962 7.5335 112.0304 57.8087 63.9874 174.5028 51 S 4.2069 8.8597 115.3139 61.1796 62.2770 174.9443 52 V 3.8158 7.7988 116.5450 62.9269 32.1704 176.6940 53 W 4.8940 7.8932 118.7732 55.6471 29.6196 178.2067 54 G 3.7824 8.1777 110.1885 48.3310 0.0000 176.2361 55 A 4.1495 8.1957 122.2633 54.5805 18.7204 178.5627 56 S 4.7692 8.1119 109.8027 58.3348 63.3150 175.5158 57 F 4.7330 8.5128 127.4399 61.4569 39.1354 177.3919 58 S 4.1267 8.3918 112.8257 61.3239 63.0754 176.3937 59 T 3.8815 7.9346 119.0031 66.6645 68.3724 176.5675 60 L 4.1125 8.3015 121.0188 57.6605 41.6048 178.9191 61 Y 2.7317 8.0374 119.7089 60.3050 38.6411 177.8584 62 N 4.0797 7.9086 117.0240 56.3776 38.6271 177.2357 63 Q 3.6033 8.1125 120.5522 58.9919 29.1494 177.9502 64 A 4.2039 8.3950 122.1455 55.2483 18.4682 179.3922 65 L 3.7465 7.8139 118.8416 58.1245 42.0381 178.3737 66 Y 3.9111 7.7822 119.5360 60.9825 38.7498 178.4318 67 F 4.6582 8.4514 118.7435 60.5640 38.7908 176.8974 68 Y 4.4261 8.7367 119.0160 61.2764 38.5444 178.4485 69 T 3.8335 7.7250 115.5579 66.8441 68.7109 176.7797 70 T 3.9273 7.5637 110.3510 62.5149 68.8341 175.5896 71 G 3.8349 7.8844 108.0051 45.6028 0.0000 173.5019 72 Q 4.2144 7.6232 116.9500 55.1183 29.5170 174.3576 73 P 4.5929 0.0000 0.0000 62.8928 32.1232 175.9315 74 V 4.4523 8.8522 117.0227 59.5650 36.7630 173.9073 75 R 4.8496 8.8292 122.0247 54.9893 31.8288 174.6966 76 I 4.7258 8.5623 127.7920 59.9954 38.9302 174.5548 77 Y 4.7466 8.8553 125.7218 56.6388 39.8413 174.5820 78 Y 5.2217 8.2708 121.1920 55.1619 42.6388 173.9361 79 E 4.5968 8.8421 120.8403 53.5008 31.9642 173.4787 80 P 5.1504 0.0000 0.0000 63.2706 32.3420 176.9230 81 G 3.9112 8.6634 108.6625 45.8231 0.0000 175.0211 82 V 3.4652 7.4455 119.6608 64.8547 31.7374 176.3689 83 W 4.9134 7.4344 119.1009 55.9688 29.7546 176.2407 84 T 4.5368 8.4608 110.7454 61.0551 70.2412 173.8666 85 Y 4.2659 8.0946 123.6175 57.2916 39.4972 174.2527 86 P 4.1603 0.0000 0.0000 65.3696 31.6231 176.9782 87 P 4.1524 0.0000 0.0000 64.8931 31.0895 178.6345 88 F 3.9838 7.8757 119.4904 61.3104 39.2899 176.9884 89 V 3.7592 7.9639 116.6266 66.0497 31.3041 177.6344 90 K 4.0426 8.0040 117.9480 59.4938 32.1864 178.4354 91 A 4.0985 7.8398 119.6913 53.8708 18.4429 177.2838 92 L 4.2395 7.8209 112.9942 54.0260 44.0249 176.8510 93 T 4.2600 7.7929 112.6167 61.9030 70.7714 172.7470 94 S 4.8274 8.3562 120.6660 60.3161 64.9737 173.6006 95 N 5.0297 8.4598 120.1219 53.3476 39.4124 174.1099 96 A 5.0836 8.7335 126.2517 51.1258 20.4398 176.0561 97 L 4.5737 8.8217 125.3607 55.0131 42.4183 176.6724 98 V 3.9825 8.8164 124.2962 61.4611 33.1683 174.9378 99 G 4.0921 7.6081 106.6593 47.0894 0.0000 171.9489 100 L 5.7124 8.5162 118.9817 53.5501 45.9152 175.8187 101 S 5.1765 9.1434 118.0136 56.7948 67.6925 173.8842 102 T 4.2868 8.7864 112.1483 62.0585 70.1516 173.7058 103 C 5.4544 8.5238 119.2019 55.6719 43.1403 174.2101 104 T 4.0709 9.0075 112.3927 62.7788 69.3696 174.3000 105 T 4.7498 7.3659 110.6071 59.1744 72.0540 174.3399 106 S 4.0796 8.7458 115.3479 60.6408 62.8565 175.0126 107 T 4.3851 7.3416 109.1224 60.9595 70.4812 173.5414 108 E 4.5880 8.1894 124.0381 54.4496 30.9166 173.9482 109 C 5.4014 8.3859 122.1923 54.7272 44.4944 173.2962 110 F 4.6075 8.8714 124.4983 58.9953 39.4666 174.0664 111 G 3.4405 8.3668 112.9603 43.2797 0.0000 171.1448 112 P 4.4915 0.0000 0.0000 62.4340 31.9940 175.3006 113 D 4.5917 8.2802 118.9225 53.9722 41.8837 176.4616 114 R 4.4441 8.3242 122.6527 54.8262 31.6717 174.2627 115 K 4.4096 8.0438 126.0623 54.5946 36.3759 175.8517 116 K 4.2108 8.6938 125.3052 57.0492 31.9685 176.6456 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 E 8.44 4.50 0.00 1.81 1.75 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 1.54 1.47 0.00 2 W 9.58 5.30 0.00 3.27 3.33 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 3 T 9.19 3.46 3.70 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 0.24 0.00 0.00 4 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.66 4.57 0.00 2.65 2.66 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 6 A 8.20 4.74 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 7 R 7.50 4.66 0.00 1.58 1.72 0.00 3.25 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 8 D 8.57 4.13 0.00 2.45 2.48 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 9 G 7.23 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 0.00 0.00 0.00 *11 F 8.63 5.03 0.00 3.04 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 12 S 8.81 4.83 0.00 3.81 3.72 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 13 G 8.55 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 0.00 0.00 0.00 14 V 7.90 4.30 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 0.84 0.00 0.00 1.06 0.00 0.00 15 V 8.10 4.38 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 0.88 0.00 0.00 0.96 0.00 0.00 16 I 8.56 4.56 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 1.22 0.00 0.00 17 T 9.03 4.74 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 1.26 0.00 0.00 18 Q 8.14 4.88 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 19 F 8.52 5.11 0.00 2.46 2.48 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 20 H 9.29 5.19 0.00 3.29 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.29 4.78 4.47 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 1.21 0.00 0.00 22 G 7.44 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 23 Q 8.63 5.20 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 24 I 8.50 4.56 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.40 0.62 0.00 0.00 25 D 9.57 4.25 0.00 2.61 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 26 N 8.38 4.27 0.00 2.84 2.85 0.00 0.00 7.03 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 27 K 7.92 4.50 0.00 1.86 1.64 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 P 0.00 4.80 0.00 1.95 1.93 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 29 Y 8.21 5.47 0.00 3.13 2.90 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 0.00 0.00 0.00 30 F 9.55 5.51 0.00 3.37 3.39 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 31 C 9.62 5.46 0.00 2.84 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 32 I 8.53 5.11 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.63 0.00 0.00 33 E 8.88 5.09 0.00 2.01 1.78 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 2.31 2.35 0.00 34 G 8.90 4.74 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 0.00 0.00 0.00 35 K 8.89 5.06 0.00 1.59 1.58 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 36 Q 7.38 5.07 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 37 S 8.51 4.20 0.00 3.96 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 38 A 8.06 3.97 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 39 G 8.17 3.54 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 0.00 0.00 0.00 40 S 7.86 4.15 0.00 3.82 3.89 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 41 S 8.34 4.55 0.00 3.68 3.74 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 42 I 8.68 4.46 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.88 0.00 0.00 43 S 8.62 5.38 0.00 3.72 3.71 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 44 A 8.56 4.95 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 45 C 9.50 5.30 0.00 2.96 3.05 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 46 S 8.01 5.04 0.00 3.86 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 *48 K 8.31 4.04 0.00 0.79 1.20 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.37 7.81 49 N 9.06 4.36 0.00 2.88 2.90 0.00 0.00 7.04 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 50 S 7.53 4.50 0.00 4.32 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 0.00 51 S 8.86 4.21 0.00 3.84 3.93 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 52 V 7.80 3.82 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 0.65 0.00 0.00 -0.12 0.00 0.00 53 W 7.89 4.89 0.00 3.49 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 54 G 8.18 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 0.00 0.00 0.00 55 A 8.20 4.15 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 0.00 0.00 0.00 0.00 0.00 56 S 8.11 4.77 0.00 4.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.51 4.73 0.00 3.38 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.39 4.13 0.00 4.20 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 59 T 7.93 3.88 4.34 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 1.25 0.00 0.00 60 L 8.30 4.11 0.00 2.00 2.07 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.04 2.73 0.00 2.24 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 62 N 7.91 4.08 0.00 3.02 2.77 0.00 0.00 6.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.11 3.60 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.03 0.00 64 A 8.39 4.20 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 65 L 7.81 3.75 0.00 1.01 1.22 0.09 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.78 3.91 0.00 3.07 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 67 F 8.45 4.66 0.00 3.26 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 68 Y 8.74 4.43 0.00 3.16 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 69 T 7.72 3.83 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 1.07 0.00 0.00 70 T 7.56 3.93 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 0.82 0.00 0.00 71 G 7.88 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 72 Q 7.62 4.21 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 73 P 0.00 4.59 0.00 1.91 1.99 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 74 V 8.85 4.45 1.88 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 -0.29 0.00 0.00 0.94 0.00 0.00 75 R 8.83 4.85 0.00 1.74 1.69 0.00 2.72 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 0.75 1.36 0.00 76 I 8.56 4.73 1.99 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 1.34 0.81 1.06 0.00 0.00 77 Y 8.86 4.75 0.00 2.97 2.61 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 78 Y 8.27 5.22 0.00 3.12 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 79 E 8.84 4.60 0.00 1.76 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 0.00 2.18 2.24 0.00 80 P 0.00 5.15 0.00 2.18 2.31 0.00 3.49 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 81 G 8.66 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 0.00 0.00 0.00 82 V 7.45 3.47 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 -0.35 0.00 0.00 0.93 0.00 0.00 83 W 7.43 4.91 0.00 3.39 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 84 T 8.46 4.54 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 1.24 0.00 0.00 85 Y 8.09 4.27 0.00 3.03 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 86 P 0.00 4.16 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 87 P 0.00 4.15 0.00 2.02 1.99 0.00 2.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 88 F 7.88 3.98 0.00 3.36 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 89 V 7.96 3.76 2.15 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 0.93 0.00 0.00 1.22 0.00 0.00 90 K 8.00 4.04 0.00 1.93 1.90 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 91 A 7.84 4.10 1.20 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 0.00 0.00 92 L 7.82 4.24 0.00 1.01 1.14 0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.79 4.26 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 1.41 0.00 0.00 94 S 8.36 4.83 0.00 4.13 4.20 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 95 N 8.46 5.03 0.00 2.87 2.89 0.00 0.00 6.70 8.12 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 96 A 8.73 5.08 0.94 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 0.00 0.00 97 L 8.82 4.57 0.00 1.65 1.59 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.82 3.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 -0.99 0.00 0.00 99 G 7.61 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 0.00 0.00 0.00 100 L 8.52 5.71 0.00 1.78 2.00 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.14 5.18 0.00 3.89 3.96 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 0.00 0.00 0.00 102 T 8.79 4.29 4.28 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 1.50 0.00 0.00 103 C 8.52 5.45 0.00 2.91 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 0.00 104 T 9.01 4.07 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 1.22 0.00 0.00 105 T 7.37 4.75 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 1.22 0.00 0.00 106 S 8.75 4.08 0.00 3.99 4.04 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 0.00 107 T 7.34 4.39 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 1.22 0.00 0.00 108 E 8.19 4.59 0.00 2.07 1.86 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 2.23 2.32 0.00 109 C 8.39 5.40 0.00 2.94 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 0.00 110 F 8.87 4.61 0.00 2.93 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 0.00 111 G 8.37 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 0.00 0.00 0.00 112 P 0.00 4.49 0.00 1.72 1.96 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 113 D 8.28 4.59 0.00 2.55 2.57 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 0.00 0.00 0.00 0.00 114 R 8.32 4.44 0.00 1.90 1.78 0.00 3.30 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 115 K 8.04 4.41 0.00 1.77 1.51 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.31 7.81 116 K 8.69 4.21 0.00 1.74 1.70 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.