NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8913 8.3393 109.7364 45.4710 0.0000 172.1632 2 D 4.4958 8.3571 120.8835 53.3491 36.6661 173.2003 3 T 4.5108 7.9646 113.1662 60.6247 71.3695 172.7856 4 S 4.7377 8.2069 114.6498 55.3782 67.1188 172.7518 5 P 4.3032 0.0000 0.0000 66.0574 31.2346 178.8155 6 A 4.0329 8.0250 118.7627 55.2700 18.2756 179.5795 7 Q 3.9677 7.7649 115.9689 58.9677 28.8035 178.7682 8 L 3.8086 8.1646 120.2481 57.6466 41.5834 179.6029 9 I 3.8130 7.9780 119.5886 64.3321 37.0655 178.1790 10 A 4.3589 7.3424 122.5858 54.6208 18.1756 179.9952 11 G 3.4079 7.9846 104.0940 48.1212 0.0000 175.6280 12 Y 4.4130 7.8868 119.2821 60.9296 37.9814 178.4190 13 E 4.1100 8.8043 119.8179 59.3289 29.2915 179.3270 14 A 4.1057 7.8878 119.9835 55.0936 18.5559 179.3230 15 A 4.0958 7.9754 118.0821 54.8497 17.9352 179.2355 16 A 4.2365 8.3349 119.4648 52.7375 18.4059 179.1518 17 G 3.7249 9.3376 104.1224 45.6370 0.0000 172.9638 18 A 4.6146 7.1369 116.4394 49.8585 22.3118 175.5694 19 P 4.5202 0.0000 0.0000 62.1623 32.0766 176.7765 20 A 4.1991 9.5232 125.6008 52.2203 19.0568 177.6368 21 D 4.7850 9.5853 120.1927 52.0275 43.2518 176.7474 22 A 4.1571 8.5986 130.1722 55.3804 18.5017 178.7641 23 E 3.9005 8.2617 116.6503 59.6221 29.5184 179.8345 24 R 4.0243 8.1755 117.8533 58.9698 30.1484 179.1336 25 G 3.5995 8.0703 105.7426 47.6563 0.0000 175.7193 26 R 2.5100 7.9636 121.2838 58.5194 29.6555 178.5199 27 A 3.8275 7.4616 119.4412 54.8472 18.7745 179.1009 28 L 3.9719 7.8889 118.8415 58.2473 41.1765 178.7997 29 F 3.9893 8.2526 120.7311 61.2580 39.1297 176.4853 30 L 4.1364 7.6811 115.7588 54.6660 41.9412 177.1261 31 S 4.3033 7.1177 113.4228 58.3524 63.6916 173.4306 32 T 4.6046 8.1763 117.3407 61.9503 69.6621 174.2822 33 Q 4.7085 8.9357 126.2469 54.3739 31.0633 175.7683 34 T 4.4282 8.3676 109.5666 61.6415 69.9081 175.2904 35 G 3.8691 8.0508 110.9260 46.4112 0.0000 173.5539 36 G 4.5297 7.4812 109.3437 44.6658 0.0000 173.7293 37 K 4.0584 8.7754 123.2976 55.8303 32.5585 176.4504 38 P 4.2824 0.0000 0.0000 65.3914 31.4648 176.7218 39 D 4.7481 8.0187 116.2965 53.4282 39.9710 176.8746 40 T 4.5655 7.6981 110.7694 59.6582 68.4063 172.4122 41 P 4.5183 0.0000 0.0000 64.4510 32.7095 176.4875 42 S 4.7248 7.4941 111.8236 56.0447 65.7459 174.4222 43 C 4.0658 7.8000 122.1330 62.4705 27.5070 176.2476 44 T 4.3705 7.4054 111.8048 63.3169 68.1879 176.5625 45 T 3.8281 7.3566 118.9444 66.8669 68.7916 175.0414 46 C 4.8383 7.8757 117.5554 59.8294 29.2823 174.8739 47 H 4.7669 8.0275 115.4244 54.3248 29.4538 175.9966 48 G 3.9969 8.1029 108.7603 45.0309 0.0000 173.8970 49 A 4.4889 8.4777 119.9465 52.8025 19.6776 176.7183 50 D 4.7890 8.0075 115.7530 52.9744 41.5202 176.3126 51 V 4.1584 8.1820 119.8278 61.8365 31.6526 177.7492 52 T 4.2205 7.9615 109.8906 62.0498 69.2574 174.8633 53 R 4.5504 7.3496 120.5797 54.1235 32.3297 175.7812 54 A 4.2170 8.4020 121.5560 52.5887 19.3827 177.7907 55 G 4.5765 8.5584 108.0616 45.7872 0.0000 172.0807 56 Q 5.3145 8.6085 116.7160 55.5736 32.5505 175.1232 57 T 4.4364 8.8263 114.9679 61.2393 70.4914 176.1504 58 R 3.9514 8.5683 119.1872 59.3707 29.2217 173.9120 59 T 4.2726 7.7963 104.9601 61.6849 69.2887 175.3799 60 G 3.9561 8.2094 113.3619 45.7353 0.0000 174.7303 61 K 4.1862 7.8673 122.0429 53.6427 32.4160 181.1875 62 E 4.5295 8.6932 124.5935 55.9913 30.5230 175.9451 63 I 4.5289 8.3941 126.2363 59.0195 39.9992 175.2119 64 A 4.3666 8.7145 128.8715 51.3356 19.0468 175.1827 65 P 4.4214 0.0000 0.0000 63.2108 31.4890 176.9655 66 L 4.0209 8.5378 121.7805 56.4477 42.3970 177.5034 67 A 4.0566 7.8538 123.2008 51.0983 18.5124 176.8060 68 P 4.3594 0.0000 0.0000 65.1767 31.7249 178.9787 69 S 4.1283 8.0126 111.8400 60.4903 63.2371 174.9788 70 A 4.2651 7.8553 122.5429 53.5075 19.5878 176.8170 71 T 4.4304 7.9070 113.1219 60.6730 69.4572 172.7121 72 P 4.4039 0.0000 0.0000 64.1273 31.6379 177.1888 73 D 4.7166 7.7688 115.7408 52.8268 39.6289 176.7353 74 R 3.5611 7.4402 118.9412 57.6366 30.3831 176.1855 75 F 4.1306 8.1078 117.4957 59.5497 36.5271 175.9839 76 T 4.7965 7.8589 107.1065 60.2632 70.2062 172.5403 77 D 5.3614 7.8556 122.2455 52.2743 43.6302 175.8575 78 S 4.1941 9.7797 123.9447 61.5629 63.0292 176.3626 79 A 4.0842 8.1000 123.9179 54.6826 18.2449 179.4146 80 R 3.9436 8.5904 117.5489 59.4704 30.1557 178.9554 81 V 3.8175 8.0103 118.1505 66.2698 31.6139 177.9650 82 E 4.0811 8.1949 117.9882 59.0459 29.1879 178.9417 83 K 3.7214 8.2375 119.8797 59.6794 32.1715 178.8983 84 W 4.3065 8.1968 118.8854 59.6995 28.9299 178.7220 85 L 4.2337 8.4939 119.3536 57.5213 41.0006 179.8745 86 G 3.5380 8.3161 105.8006 47.8395 0.0000 175.9770 87 R 3.9222 8.1980 121.5135 59.1308 30.1547 179.0571 88 N 4.5261 9.0354 116.4544 56.3447 38.4944 177.0517 89 C 4.3721 8.5392 118.3069 59.9422 36.6448 175.8744 90 N 4.4537 8.0534 117.7142 56.4185 38.1024 177.6824 91 S 4.0947 8.2050 116.5422 61.4338 62.7133 176.8884 92 V 3.9605 7.4712 120.6854 65.1908 31.6253 177.1926 93 I 3.8923 7.8968 117.7691 62.0008 37.4375 177.2330 94 G 3.9066 9.9011 107.1597 46.0043 0.0000 172.5438 95 R 4.5175 7.1102 113.6803 54.8093 31.9016 174.1951 96 D 4.5062 8.3778 118.2887 54.3735 41.3408 177.5295 97 C 4.6373 8.4256 119.9889 56.8566 39.0624 174.4552 98 T 4.2876 8.7662 113.9564 60.7336 70.5845 174.1249 99 P 4.2942 0.0000 0.0000 65.6621 31.2494 179.2629 100 G 3.5780 8.0024 104.0639 47.8338 0.0000 175.5038 101 E 3.9486 8.0791 121.1016 59.0133 29.4432 179.6328 102 K 3.7141 8.3014 118.7394 59.0807 31.9614 179.1561 103 A 4.0572 8.0548 121.2359 55.3786 18.4718 179.3905 104 D 4.3285 8.2144 117.3070 57.4675 40.8441 178.9896 105 L 4.0895 8.0951 119.4937 58.1002 41.7116 179.7597 106 L 3.6415 8.0540 118.5281 57.4837 41.2284 179.4894 107 A 4.0233 7.9226 120.2307 54.7384 18.4577 179.2967 108 W 4.2497 8.1121 126.3688 60.6916 30.9165 178.3651 109 L 3.3324 8.1155 118.9003 57.4748 40.8817 179.0823 110 A 4.3211 8.2382 118.7061 53.6533 18.4324 178.2225 111 A 4.3917 7.2859 117.7323 51.9925 19.6625 177.0350 112 Q 3.9263 7.4983 121.6565 55.8192 28.8630 175.6712 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 G 8.34 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 0.00 0.00 0.00 2 D 8.36 4.50 0.00 2.96 3.14 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 0.00 0.00 0.00 0.00 3 T 7.96 4.51 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 1.29 0.00 0.00 4 S 8.21 4.74 0.00 4.06 3.90 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 5 P 0.00 4.30 0.00 2.25 2.32 0.00 3.65 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 2.21 2.38 0.00 6 A 8.02 4.03 1.32 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 7 Q 7.76 3.97 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 8 L 8.16 3.81 0.00 2.02 1.73 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.98 3.81 1.90 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 1.49 0.82 0.95 0.00 0.00 10 A 7.34 4.36 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 11 G 7.98 3.41 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 0.00 12 Y 7.89 4.41 0.00 3.21 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 13 E 8.80 4.11 0.00 2.18 2.09 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 2.54 2.58 0.00 14 A 7.89 4.11 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 15 A 7.98 4.10 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 16 A 8.33 4.24 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 17 G 9.34 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 0.00 0.00 0.00 18 A 7.14 4.61 1.22 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 0.00 0.00 19 P 0.00 4.52 0.00 2.07 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 A 9.52 4.20 1.32 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 21 D 9.59 4.78 0.00 2.63 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 22 A 8.60 4.16 1.47 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 0.00 0.00 23 E 8.26 3.90 0.00 2.17 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 2.35 2.49 0.00 24 R 8.18 4.02 0.00 1.96 1.93 0.00 3.11 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 25 G 8.07 3.60 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 0.00 26 R 7.96 2.51 0.00 0.67 1.51 0.00 2.94 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.00 27 A 7.46 3.83 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 28 L 7.89 3.97 0.00 1.82 1.81 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.25 3.99 0.00 3.27 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 30 L 7.68 4.14 0.00 1.60 1.68 0.84 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.12 4.30 0.00 3.97 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 32 T 8.18 4.60 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 1.19 0.00 0.00 33 Q 8.94 4.71 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 34 T 8.37 4.43 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 1.20 0.00 0.00 35 G 8.05 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 36 G 7.48 4.53 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 37 K 8.78 4.06 0.00 1.92 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.26 7.81 38 P 0.00 4.28 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 39 D 8.02 4.75 0.00 2.80 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 40 T 7.70 4.57 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 1.21 0.00 0.00 41 P 0.00 4.52 0.00 2.21 2.31 0.00 3.67 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 2.04 1.93 0.00 42 S 7.49 4.72 0.00 3.84 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 43 C 7.80 4.07 0.00 1.73 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 0.00 0.00 0.00 44 T 7.41 4.37 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 1.25 0.00 0.00 45 T 7.36 3.83 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 1.19 0.00 0.00 46 C 7.88 4.84 0.00 2.74 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 47 H 8.03 4.77 0.00 3.55 3.61 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.10 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 0.00 0.00 0.00 49 A 8.48 4.49 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 50 D 8.01 4.79 0.00 2.76 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 51 V 8.18 4.16 1.92 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 0.67 0.00 0.00 0.46 0.00 0.00 52 T 7.96 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 1.12 0.00 0.00 53 R 7.35 4.55 0.00 1.99 1.88 0.00 3.28 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 54 A 8.40 4.22 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 55 G 8.56 4.58 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 0.00 0.00 0.00 56 Q 8.61 5.31 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 57 T 8.83 4.44 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 1.24 0.00 0.00 58 R 8.57 3.95 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 59 T 7.80 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 1.22 0.00 0.00 60 G 8.21 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 0.00 0.00 0.00 61 K 7.87 4.19 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.24 7.81 62 E 8.69 4.53 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 2.27 2.33 0.00 63 I 8.39 4.53 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.82 0.00 0.00 64 A 8.71 4.37 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 65 P 0.00 4.42 0.00 1.88 1.95 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 66 L 8.54 4.02 0.00 1.55 1.73 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.85 4.06 1.10 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 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.36 0.00 2.15 2.04 0.00 3.61 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 69 S 8.01 4.13 0.00 3.92 3.94 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 70 A 7.86 4.27 1.25 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 71 T 7.91 4.43 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 1.16 0.00 0.00 72 P 0.00 4.40 0.00 1.99 2.08 0.00 3.65 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 73 D 7.77 4.72 0.00 2.73 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 74 R 7.44 3.56 0.00 1.19 0.66 0.00 2.88 0.00 0.00 2.82 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 75 F 8.11 4.13 0.00 3.18 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 76 T 7.86 4.80 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 1.31 0.00 0.00 77 D 7.86 5.36 0.00 2.73 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 S 9.78 4.19 0.00 4.04 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 0.00 79 A 8.10 4.08 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 80 R 8.59 3.94 0.00 2.08 2.22 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 81 V 8.01 3.82 2.26 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 1.18 0.00 0.00 1.22 0.00 0.00 82 E 8.19 4.08 0.00 2.08 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 2.49 2.55 0.00 83 K 8.24 3.72 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.87 1.25 7.81 84 W 8.20 4.31 0.00 3.69 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 85 L 8.49 4.23 0.00 1.81 1.74 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.32 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 87 R 8.20 3.92 0.00 2.00 2.03 0.00 2.21 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 N 9.04 4.53 0.00 3.02 2.99 0.00 0.00 7.11 8.18 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 89 C 8.54 4.37 0.00 3.02 3.27 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 90 N 8.05 4.45 0.00 3.02 2.86 0.00 0.00 7.02 8.35 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 91 S 8.21 4.09 0.00 3.90 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 92 V 7.47 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 1.07 0.00 0.00 0.92 0.00 0.00 93 I 7.90 3.89 1.97 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 1.21 0.65 0.90 0.00 0.00 94 G 9.90 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 95 R 7.11 4.52 0.00 1.88 1.88 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 96 D 8.38 4.51 0.00 2.67 2.64 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 97 C 8.43 4.64 0.00 2.90 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 98 T 8.77 4.29 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 1.20 0.00 0.00 99 P 0.00 4.29 0.00 2.16 2.26 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 100 G 8.00 3.58 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 0.00 0.00 0.00 101 E 8.08 3.95 0.00 2.18 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 2.30 2.32 0.00 102 K 8.30 3.71 0.00 1.02 0.74 0.00 1.20 0.00 0.00 0.98 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.18 1.40 7.81 103 A 8.05 4.06 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 0.00 104 D 8.21 4.33 0.00 2.90 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 0.00 105 L 8.10 4.09 0.00 1.79 1.79 0.99 1.18 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 0.00 106 L 8.05 3.64 0.00 1.72 1.53 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.92 4.02 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 0.00 108 W 8.11 4.25 0.00 3.59 3.38 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 0.00 109 L 8.12 3.33 0.00 1.49 1.69 0.89 0.54 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 0.00 110 A 8.24 4.32 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 0.00 111 A 7.29 4.39 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 0.00 112 Q 7.50 3.93 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.