NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 P 4.6250 0.0000 0.0000 62.4497 33.5474 175.4115 -3 R 4.6322 7.7785 112.3178 55.0444 32.1443 173.2969 -2 G 4.3568 8.0806 102.4059 45.2451 0.0000 172.8367 -1 S 4.5222 7.2414 122.2709 57.1272 67.4053 179.9214 0 H 4.0805 8.8912 121.2717 58.9534 29.2358 175.6283 1 M 3.9786 8.1112 119.6455 58.3902 32.1512 177.6030 2 A 4.1648 8.1766 121.2860 55.2330 18.2934 179.7666 3 K 4.0514 7.5044 115.7364 59.4618 32.1153 179.2303 4 L 4.1395 7.5562 118.5187 57.6228 41.6416 178.6160 5 M 4.1029 7.6747 116.9804 56.2038 32.3185 175.6385 6 F 5.0424 7.7886 117.2113 55.9194 41.1204 173.9285 7 D 5.1228 9.2872 125.5409 52.9635 41.5803 176.0706 8 S 5.3054 8.0923 114.2026 56.7367 66.7649 172.9726 9 I 5.0239 9.5525 123.2083 59.5491 41.2388 173.8549 10 L 4.4886 8.9418 129.7603 53.1537 43.6715 175.1628 11 V 4.3588 8.6111 128.2713 62.3418 33.1745 174.8038 12 I 4.9948 9.0929 128.4740 59.8197 40.7011 173.9408 13 C 4.5239 8.3777 122.6145 58.0031 32.7471 173.5882 14 T 4.0721 8.8057 111.9390 66.1651 68.3829 177.0246 15 G 3.5376 7.9699 107.4922 45.2162 0.0000 172.3588 16 N 4.5534 8.1599 117.6892 54.5187 37.2545 174.1279 17 I 4.6686 7.4680 106.4672 60.0286 39.3306 174.7262 18 C 4.8706 7.3622 116.0803 60.6560 31.2765 176.0138 19 R 3.8494 7.9597 120.7517 59.8395 30.3171 178.8674 20 S 3.9568 7.7561 113.2329 60.8413 63.1730 174.4147 21 P 4.1210 0.0000 0.0000 65.4440 31.0014 178.4761 22 I 3.7997 7.3841 117.3688 64.4321 37.0965 178.6877 23 G 3.4378 7.8478 106.4703 47.6185 0.0000 175.0808 24 E 3.9682 8.4386 121.8680 59.3760 29.3843 179.1462 25 R 3.9721 7.9167 117.6898 59.1647 30.2597 179.0327 26 L 4.0668 8.1924 118.8339 58.0754 41.7475 179.7649 27 L 4.2084 8.1662 118.5697 57.5676 41.3218 179.8450 28 R 3.9889 8.1248 118.7141 59.0635 29.8625 178.7625 29 R 4.1861 7.5921 113.1411 57.8674 29.9099 178.0232 30 L 4.3613 7.3279 118.2346 55.7367 43.5811 176.9104 31 L 4.8446 8.2010 118.2453 52.1025 41.6466 175.3481 32 P 4.5990 0.0000 0.0000 64.4401 31.9557 178.1652 33 S 4.3889 7.9808 110.9133 59.3461 63.7087 174.1566 34 K 4.5764 7.6881 120.4219 55.1049 33.9797 176.7526 35 K 4.3256 8.9699 124.6919 55.8479 32.7885 175.5167 36 I 4.9687 8.3827 128.9241 59.8731 39.2282 174.6116 37 N 5.3560 8.9008 124.5573 51.5237 43.0071 173.2646 38 S 5.5691 8.6175 111.8716 57.3372 66.4822 172.6864 39 A 4.7478 8.2317 121.2142 51.1950 23.1912 174.9363 40 G 4.2984 9.1767 105.7250 44.5360 0.0000 174.7707 41 V 3.8070 8.7488 118.1770 62.8293 32.1862 176.8251 42 G 4.3280 7.7575 106.3178 45.1261 0.0000 173.2652 43 A 4.2698 8.0287 119.8748 51.9863 20.0770 179.8181 44 L 4.1689 8.4919 121.3234 52.7022 40.4448 175.6582 45 V 3.9195 7.8105 121.8653 64.2902 31.9383 176.0849 46 D 4.6746 8.6836 125.6174 54.7161 39.4440 173.7003 47 H 4.5980 8.0685 117.7577 54.9522 29.9339 175.2585 48 A 4.8002 8.8617 124.1769 50.9333 19.3473 176.7659 49 A 4.2464 8.5227 120.7343 51.8794 19.2519 177.4904 50 D 4.4626 9.0463 120.7179 54.4212 42.3049 177.3484 51 E 3.9284 9.0502 125.2479 59.8930 29.1522 179.9740 52 S 3.6979 8.5788 115.0700 61.3295 62.4536 176.6580 53 A 4.1348 7.6096 121.8405 55.1237 18.2628 179.2485 54 I 3.7840 7.6840 117.5834 64.4799 37.2554 178.2531 55 R 4.0144 7.5148 117.9540 58.2805 30.2787 177.6060 56 V 3.9331 6.4070 115.6222 60.5587 33.8015 176.5120 56 N 4.5531 6.7770 115.1222 51.4586 39.8015 175.4120 61 G 4.1793 8.5514 105.7022 44.2902 0.0000 170.5078 62 L 4.8566 7.7350 120.5666 54.0746 43.7878 176.7724 63 C 4.5843 8.5411 115.8530 57.2583 31.4572 174.4005 64 L 4.4238 8.0672 123.6528 53.3069 38.6422 174.9059 65 K 4.1169 7.8784 121.8960 56.4905 33.1992 176.9631 66 G 3.8744 8.8217 114.0788 46.6920 0.0000 172.3267 67 H 4.6585 7.5975 118.4293 55.4443 30.9202 174.3339 68 R 4.7886 8.1078 120.9198 53.8177 32.8809 175.1325 69 G 3.7760 8.7564 108.8247 47.0843 0.0000 172.4293 70 T 5.0380 9.5138 120.8511 61.1652 72.0656 173.4364 71 K 4.5391 8.7410 128.2727 56.2848 33.1589 175.8772 72 F 4.6282 8.7464 130.3586 58.0317 40.1367 174.8194 73 T 4.4244 7.4125 114.3392 58.7150 71.5960 174.7072 74 S 3.8852 8.5379 118.8642 61.8584 62.5449 176.8054 75 A 3.9717 7.7952 121.8868 55.1972 18.3643 178.9941 76 L 4.0617 7.4865 118.5615 58.1208 42.2781 178.8658 77 A 4.1493 7.8932 120.8088 55.1561 18.0781 179.1558 78 R 4.1041 7.7999 115.0985 58.2703 30.1305 176.9054 79 Q 4.4300 7.8155 115.7843 56.0899 29.1607 174.7812 80 Y 4.7816 7.7659 115.3259 56.2810 41.7558 175.2079 81 D 4.7222 9.6229 124.9992 56.5994 41.8438 176.7210 82 L 4.9009 8.3677 119.7206 52.9772 45.7193 175.3577 83 L 5.0944 8.5944 125.0803 52.9227 44.9149 175.1909 84 L 5.0710 8.6714 124.5389 53.0885 43.9152 176.1857 85 V 4.9923 8.3336 117.1228 59.4940 34.3096 177.0341 86 M 4.0764 8.6253 122.6653 57.7647 33.2518 176.0013 87 E 4.9378 8.1830 118.7270 54.2179 31.9081 175.7944 88 Y 3.8660 9.3404 126.2957 60.8465 38.7649 178.6111 89 S 4.1904 8.1554 113.5569 61.4752 62.3631 175.7491 90 H 4.1535 8.0314 119.2228 58.5904 28.3215 177.4035 91 L 3.8126 7.4917 120.5658 58.0998 40.9724 179.6353 92 E 3.9346 7.9683 117.7082 59.2731 29.5365 178.8607 93 Q 4.0643 7.9974 119.3874 58.4824 28.9946 178.1923 94 I 3.6791 7.9291 121.7297 64.4592 36.9875 178.2943 95 S 3.7968 8.0000 114.8723 61.6443 62.6492 176.5477 96 R 4.0800 7.4468 120.0445 59.0334 29.8996 178.3072 97 I 4.2940 7.5736 118.3335 62.5854 38.0902 176.4025 98 A 4.7404 9.0722 127.5675 47.9766 19.8643 174.4567 99 P 4.3957 0.0000 0.0000 66.4043 31.5918 179.1905 100 E 4.0802 8.1318 115.2732 58.2047 30.1471 178.0764 101 A 4.2735 7.8897 121.6022 54.2289 18.6160 179.0543 102 R 3.9966 7.7026 116.9717 59.8564 29.8022 178.6751 103 G 3.8556 8.1632 103.6025 46.2139 0.0000 173.7034 104 K 4.7644 8.4280 120.8589 56.6846 34.0201 175.1645 105 T 5.0566 7.7819 114.7125 61.3930 69.6616 172.7472 106 M 4.8757 8.9815 127.0330 53.2773 37.0725 174.0070 107 L 4.7492 8.3371 119.4331 54.0856 42.7355 177.2670 108 F 3.8865 9.2347 127.0580 58.8861 38.6333 175.0150 109 G 3.9803 9.2766 114.1207 47.1434 0.0000 175.0282 110 H 4.2234 8.4490 120.1345 57.8066 30.1751 175.0562 111 W 4.6372 6.6518 117.2668 56.3647 29.3680 175.9560 *115 K 4.2967 7.8675 116.3393 56.2189 33.2047 175.1287 116 E 4.3588 8.8496 119.0667 57.0449 30.4364 175.8481 117 I 4.4626 8.0489 121.8437 58.9319 38.5892 174.5391 118 P 4.2540 0.0000 0.0000 62.3892 31.8592 175.7217 119 D 4.5360 8.3071 120.4513 52.8949 40.5394 174.6543 120 P 4.1214 0.0000 0.0000 63.4281 31.7850 175.9714 121 Y 4.5250 7.7099 119.7536 59.3958 38.9836 176.2085 122 R 3.6932 8.6772 125.7392 57.8135 27.1344 174.9315 123 M 4.9201 7.8445 115.1136 53.0144 36.4905 175.6171 124 S 4.4629 8.3424 113.9407 58.3072 63.9913 175.1464 125 D 4.5637 8.6551 120.8454 57.1785 40.4532 178.8223 126 E 4.0518 8.2689 118.0058 59.2469 29.6885 178.9204 127 A 4.0121 7.8929 121.4872 55.0581 18.3683 179.6691 128 F 4.0067 8.3715 115.8032 60.5118 38.9188 177.6056 129 D 4.4686 8.2070 118.9635 57.2775 40.8095 178.8258 130 S 4.1695 8.2052 114.8649 61.4632 62.8487 176.8099 131 V 3.5342 7.9771 121.9217 65.6689 31.2532 177.1504 132 Y 3.9873 8.3559 119.6212 60.9609 38.6277 177.9211 133 Q 4.1088 8.5979 119.1689 59.3119 28.8873 179.3488 134 L 4.0300 7.8392 119.2521 57.9438 41.6077 179.6640 135 L 4.0497 8.0431 119.0414 57.6465 41.4989 179.2385 136 E 3.8327 8.3048 119.8047 59.3704 29.6891 178.9282 137 Q 4.0523 8.1832 117.5479 59.2281 28.5683 178.2417 138 A 4.1426 8.3889 122.8404 55.0943 18.6055 179.5845 139 S 4.1771 8.6758 112.0155 61.1653 62.4896 176.6572 140 K 4.0408 8.1083 121.5784 59.5290 31.7772 179.5709 141 R 3.8192 8.1029 118.2403 58.8929 29.3505 179.1871 142 W 4.2736 8.1594 118.4521 59.4177 28.8421 178.4923 143 A 4.1080 7.7671 119.7952 55.2700 18.0946 179.2605 144 E 4.0424 8.1229 116.9976 59.0988 29.3953 178.7374 145 K 4.1136 7.5399 116.9174 57.3451 32.3235 176.8943 146 L 4.7490 7.5350 115.5440 54.7611 43.1493 176.6973 147 G 4.0316 7.8569 113.4986 45.8046 0.0000 173.8668 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 -4 P 0.00 4.63 0.00 2.19 2.29 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 -3 R 7.78 4.63 0.00 2.02 2.02 0.00 3.06 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 -2 G 8.08 4.36 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 0.00 -1 S 7.24 4.52 0.00 3.96 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 0 H 8.89 4.08 0.00 3.29 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.11 3.98 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 2 A 8.18 4.16 1.57 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 0.00 0.00 3 K 7.50 4.05 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.59 1.50 7.81 4 L 7.56 4.14 0.00 1.82 1.68 0.92 0.74 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 5 M 7.67 4.10 0.00 1.17 1.74 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.01 0.00 6 F 7.79 5.04 0.00 3.13 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 D 9.29 5.12 0.00 2.73 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 8 S 8.09 5.31 0.00 3.86 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 9 I 9.55 5.02 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.04 0.69 0.00 0.00 10 L 8.94 4.49 0.00 0.77 1.29 0.42 0.80 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 11 V 8.61 4.36 2.03 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 0.97 0.00 0.00 0.98 0.00 0.00 12 I 9.09 4.99 1.63 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.56 0.00 0.00 13 C 8.38 4.52 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.81 4.07 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 1.20 0.00 0.00 15 G 7.97 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 16 N 8.16 4.55 0.00 2.90 2.86 0.00 0.00 6.76 7.94 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 17 I 7.47 4.67 1.96 0.00 0.00 0.63 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 0.91 0.99 0.00 0.00 18 C 7.36 4.87 0.00 2.95 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 19 R 7.96 3.85 0.00 1.73 1.75 0.00 3.04 0.00 0.00 3.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 20 S 7.76 3.96 0.00 3.99 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 21 P 0.00 4.12 0.00 2.05 1.73 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 22 I 7.38 3.80 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.03 0.91 0.00 0.00 23 G 7.85 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 24 E 8.44 3.97 0.00 2.06 2.22 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 2.34 2.49 0.00 25 R 7.92 3.97 0.00 2.23 2.02 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 26 L 8.19 4.07 0.00 1.95 1.78 0.77 0.69 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 27 L 8.17 4.21 0.00 1.89 1.73 0.81 0.76 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 28 R 8.12 3.99 0.00 2.08 2.01 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 29 R 7.59 4.19 0.00 1.99 2.09 0.00 3.10 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 30 L 7.33 4.36 0.00 1.96 1.80 1.01 0.94 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 31 L 8.20 4.84 0.00 1.68 1.59 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.60 0.00 2.05 2.14 0.00 3.74 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 33 S 7.98 4.39 0.00 3.99 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 34 K 7.69 4.58 0.00 1.72 1.92 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.41 7.81 35 K 8.97 4.33 0.00 1.84 1.75 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.46 7.81 36 I 8.38 4.97 1.91 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 1.56 1.08 0.99 0.00 0.00 37 N 8.90 5.36 0.00 2.66 2.68 0.00 0.00 6.09 6.87 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 38 S 8.62 5.57 0.00 3.84 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 39 A 8.23 4.75 1.31 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 0.00 0.00 40 G 9.18 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 0.00 0.00 0.00 0.00 41 V 8.75 3.81 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 0.41 0.00 0.00 0.99 0.00 0.00 42 G 7.76 4.33 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 0.00 43 A 8.03 4.27 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 44 L 8.49 4.17 0.00 1.58 1.26 0.69 0.59 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 45 V 7.81 3.92 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 0.80 0.00 0.00 0.93 0.00 0.00 46 D 8.68 4.67 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.07 4.60 0.00 3.32 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.86 4.80 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 49 A 8.52 4.25 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 50 D 9.05 4.46 0.00 2.77 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 51 E 9.05 3.93 0.00 1.97 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 2.41 2.35 0.00 52 S 8.58 3.70 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.61 4.13 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 54 I 7.68 3.78 2.00 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 1.52 0.77 0.89 0.00 0.00 55 R 7.51 4.01 0.00 1.85 1.91 0.00 3.07 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 56 V 6.41 3.93 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 0.85 0.00 0.00 0.59 0.00 0.00 56 N 6.78 4.55 0.00 2.96 2.61 0.00 0.00 7.10 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 61 G 8.55 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 0.00 0.00 0.00 62 L 7.73 4.86 0.00 1.78 1.70 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.54 4.58 0.00 3.11 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 64 L 8.07 4.42 0.00 1.66 1.67 0.92 0.91 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 65 K 7.88 4.12 0.00 1.77 1.70 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.39 7.81 66 G 8.82 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 67 H 7.60 4.66 0.00 3.28 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.11 4.79 0.00 1.75 1.79 0.00 3.08 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 69 G 8.76 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 70 T 9.51 5.04 4.45 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 1.21 0.00 0.00 71 K 8.74 4.54 0.00 1.75 1.70 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.52 7.81 72 F 8.75 4.63 0.00 3.06 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 73 T 7.41 4.42 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 1.13 0.00 0.00 74 S 8.54 3.89 0.00 3.81 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 75 A 7.80 3.97 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 76 L 7.49 4.06 0.00 1.62 1.62 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.89 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.10 0.00 1.96 2.17 0.00 3.22 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 79 Q 7.82 4.43 0.00 1.92 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.37 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 80 Y 7.77 4.78 0.00 2.97 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 81 D 9.62 4.72 0.00 2.94 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 82 L 8.37 4.90 0.00 1.36 1.25 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.59 5.09 0.00 1.60 1.43 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.67 5.07 0.00 1.42 1.55 0.29 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.33 4.99 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 0.97 0.00 0.00 0.92 0.00 0.00 86 M 8.63 4.08 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 87 E 8.18 4.94 0.00 1.93 1.43 0.00 0.00 0.00 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 2.36 0.00 88 Y 9.34 3.87 0.00 3.14 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 89 S 8.16 4.19 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.03 4.15 0.00 3.29 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.49 3.81 0.00 1.42 1.47 0.23 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.97 3.93 0.00 2.01 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 0.00 2.41 2.66 0.00 93 Q 8.00 4.06 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 94 I 7.93 3.68 1.95 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 0.79 0.66 0.90 0.00 0.00 95 S 8.00 3.80 0.00 3.96 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 96 R 7.45 4.08 0.00 2.01 2.11 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 97 I 7.57 4.29 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 1.03 0.00 0.00 98 A 9.07 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 99 P 0.00 4.40 0.00 2.24 2.34 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 100 E 8.13 4.08 0.00 2.12 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 0.00 2.30 2.26 0.00 101 A 7.89 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.00 0.00 2.05 2.08 0.00 3.09 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 103 G 8.16 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 0.00 104 K 8.43 4.76 0.00 2.06 2.06 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 105 T 7.78 5.06 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 1.20 0.00 0.00 106 M 8.98 4.88 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 107 L 8.34 4.75 0.00 1.58 1.68 0.81 0.92 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 0.00 108 F 9.23 3.89 0.00 2.96 2.91 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 0.00 109 G 9.28 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.45 4.22 0.00 3.21 2.10 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 6.65 4.64 0.00 3.10 3.01 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 *115 K 7.87 4.30 0.00 1.79 1.86 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 116 E 8.85 4.36 0.00 2.20 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 2.31 2.37 0.00 117 I 8.05 4.46 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 0.83 0.00 0.00 118 P 0.00 4.25 0.00 1.98 1.95 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 119 D 8.31 4.54 0.00 2.62 2.60 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 0.00 120 P 0.00 4.12 0.00 0.80 1.16 0.00 3.54 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 1.78 1.79 0.00 121 Y 7.71 4.53 0.00 2.95 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 0.00 122 R 8.68 3.69 0.00 1.74 1.81 0.00 2.87 0.00 0.00 2.98 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 123 M 7.84 4.92 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 124 S 8.34 4.46 0.00 4.04 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 0.00 125 D 8.66 4.56 0.00 2.80 2.77 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 0.00 126 E 8.27 4.05 0.00 2.22 2.24 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 2.40 2.40 0.00 127 A 7.89 4.01 1.31 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 0.00 0.00 128 F 8.37 4.01 0.00 3.31 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 0.00 129 D 8.21 4.47 0.00 2.92 2.77 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 0.00 130 S 8.21 4.17 0.00 4.08 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 0.00 131 V 7.98 3.53 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 1.00 0.00 0.00 0.89 0.00 0.00 132 Y 8.36 3.99 0.00 3.24 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 0.00 133 Q 8.60 4.11 0.00 2.53 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 134 L 7.84 4.03 0.00 1.95 1.76 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.04 4.05 0.00 1.56 1.50 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.30 3.83 0.00 1.66 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 2.33 2.32 0.00 137 Q 8.18 4.05 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 138 A 8.39 4.14 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 0.00 0.00 0.00 0.00 0.00 139 S 8.68 4.18 0.00 4.20 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 0.00 140 K 8.11 4.04 0.00 2.06 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.67 7.81 141 R 8.10 3.82 0.00 1.94 1.79 0.00 3.13 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 142 W 8.16 4.27 0.00 3.36 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 0.00 143 A 7.77 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.12 4.04 0.00 1.90 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 2.28 2.44 0.00 145 K 7.54 4.11 0.00 1.19 1.66 0.00 1.09 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 1.38 7.81 146 L 7.53 4.75 0.00 1.89 1.74 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.86 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.