NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 5.1771 8.1648 122.9782 52.0686 19.0849 176.1110 *2 I 4.0392 8.0871 122.4020 62.1354 38.2738 175.9191 3 V 4.1232 8.7668 124.9641 64.1656 32.8410 175.9079 4 G 4.7229 7.5043 104.2312 46.1426 0.0000 172.1628 5 L 5.3481 8.2993 122.9327 53.1321 45.8699 175.2625 6 G 4.3933 9.1121 111.8491 45.0712 0.0000 171.2246 7 T 5.2535 8.2800 115.7638 60.6522 70.9954 172.2385 8 D 4.7850 8.8933 124.3716 53.0513 45.2577 173.6195 9 I 5.0449 8.4695 124.1097 59.1407 40.9471 174.1342 10 A 4.9309 9.5403 130.4231 50.0237 22.3793 174.8020 11 E 4.4162 8.8876 123.1197 55.3880 30.2676 177.2382 12 I 3.7121 8.5892 128.9955 64.5117 37.0746 178.0750 13 E 4.0614 8.0439 119.6027 59.3244 29.4466 178.9797 14 R 3.8447 7.7717 118.2592 58.9599 30.0827 179.1840 15 V 3.5404 7.6175 117.7204 65.9361 31.6777 177.7604 16 E 4.0327 8.3703 118.4750 59.4223 29.3034 179.5233 17 K 3.9408 8.2953 118.4315 59.3707 32.0968 179.2533 18 A 3.7775 7.8006 121.0066 55.0245 18.1443 179.7171 19 L 4.1637 8.1385 117.3189 57.9520 41.5047 179.6029 20 A 4.0724 8.0390 119.7310 54.5261 18.2808 179.2804 21 R 4.2370 7.4937 115.1517 58.2020 31.1215 178.2317 22 S 4.7087 8.5801 112.7991 56.0317 64.7994 176.1053 23 G 3.9894 8.7306 110.9116 46.0303 0.0000 175.2711 24 E 4.0235 9.2274 123.0953 59.4632 28.8005 178.0014 25 N 4.3049 7.8165 115.0355 56.2911 39.0086 177.0056 26 F 4.4847 8.2128 121.1255 61.3692 39.6525 176.8855 27 A 3.3578 8.0284 120.4377 55.1073 17.8755 179.8716 28 R 3.8343 8.4283 115.7338 59.0903 30.1066 179.1998 29 R 4.0640 7.4610 117.1760 58.9278 30.0910 178.3972 30 I 3.6039 7.2488 117.9208 61.7084 37.9880 176.0114 31 L 4.7838 7.1850 118.7753 53.0054 43.4170 177.0735 32 T 3.9967 8.7353 113.7899 61.1847 70.7476 175.5713 33 D 4.3530 8.3990 121.0512 57.4546 41.1998 178.8566 34 S 4.2878 7.9928 114.3229 61.6422 62.9911 176.3299 35 E 4.2251 8.0175 121.7283 58.8223 29.1170 178.9535 36 L 3.8825 7.9952 120.5473 57.9388 41.7889 179.0094 37 E 3.9826 7.5979 116.8494 59.5238 29.6026 178.9546 38 Q 4.1258 8.0581 117.6548 58.5771 28.9320 178.1662 39 F 2.7221 8.1584 121.9769 61.4032 39.1719 177.0160 40 H 3.9983 8.0841 113.9808 58.5375 28.4931 177.1942 41 A 4.0813 7.3254 121.3265 53.1789 18.7705 177.9384 42 S 4.1197 6.7862 111.6072 58.4914 62.8877 173.9396 43 K 4.4009 8.4285 123.6581 56.4180 33.0773 176.7864 44 Q 4.6420 8.0082 117.4605 54.1273 29.3964 176.2500 45 Q 3.9806 7.9097 120.0666 58.8300 29.2020 178.9019 46 G 3.7751 8.1352 106.3840 47.9105 0.0000 175.8640 47 R 3.9764 8.0040 120.0869 58.8225 30.1672 178.5151 48 F 4.0695 8.5308 120.6545 61.5273 39.3389 177.0370 49 L 4.1722 9.0374 119.9843 58.0420 41.8769 178.6879 50 A 4.0908 8.4121 121.0378 55.1064 18.3199 179.7752 51 K 3.9718 8.0064 116.5318 59.7149 32.0525 179.8829 52 R 3.8919 7.8103 118.0266 58.9529 29.8851 178.7798 53 F 4.0061 8.6867 120.7330 61.2979 39.3343 177.0424 54 A 4.4632 8.6178 121.4015 54.6572 18.1212 179.4044 55 A 3.8580 8.0924 119.2574 55.3454 18.4201 180.1051 56 K 3.4285 8.1825 117.0881 59.2144 32.1019 179.5464 57 E 3.6078 8.1279 118.8184 59.1783 29.3869 179.0930 58 A 3.8605 8.0555 120.7626 55.1858 18.4679 179.5072 59 A 3.8313 7.8865 119.5864 55.2672 18.3807 180.0691 60 S 4.1641 7.6195 112.7066 61.3557 63.0195 176.9251 61 K 3.9639 7.9578 122.0892 59.1120 31.8005 179.1545 62 A 4.2670 7.9945 122.3956 54.4759 18.0298 179.5025 63 L 4.1439 7.7489 116.5476 56.0539 41.7807 178.4244 64 G 3.9901 8.1016 106.6720 45.3353 0.0000 173.7776 65 T 4.2670 7.6323 108.8718 60.2648 70.9377 175.8516 66 G 4.0119 7.8419 110.4147 45.8860 0.0000 173.7018 67 I 3.9655 7.8299 117.5563 59.2242 35.8307 174.4911 68 A 4.2231 8.3975 126.5051 52.2730 22.5657 176.1284 69 Q 3.3716 9.7104 115.1071 57.1638 25.9289 175.6185 70 G 3.8882 8.5460 106.6654 45.1537 0.0000 174.3486 71 V 4.0410 7.5735 121.1426 62.1232 32.1571 175.0638 72 T 4.8236 8.4956 116.5736 59.1923 71.7425 174.9871 73 F 4.3539 8.6423 119.7671 61.1052 38.9396 177.2531 74 H 4.6220 7.9895 115.9186 57.5341 28.6843 175.8323 75 D 4.4272 7.9955 118.7791 54.3392 41.0405 175.4664 76 F 5.3212 7.7872 117.9859 55.7720 41.5342 174.9075 77 T 4.6928 9.0513 120.1446 61.8069 71.5629 172.9128 78 I 4.7311 8.9674 127.8116 60.0674 38.7807 174.9402 79 S 4.9393 9.1205 121.8480 56.7774 66.2504 171.7670 80 H 5.4738 8.5202 115.9493 54.1541 32.8091 173.8788 81 D 4.7579 8.7819 121.7206 51.9546 41.0639 177.1997 82 K 4.0956 8.5154 117.2494 59.3029 32.5812 177.5317 83 L 4.3116 8.1348 118.0362 54.6410 41.9656 177.2876 84 G 3.9943 8.0990 107.6302 44.4248 0.0000 173.8182 85 K 4.2653 8.0774 122.3371 55.6866 33.2720 174.2014 86 P 4.8477 0.0000 0.0000 62.5846 32.7039 175.3669 87 L 4.8389 9.0404 121.5797 52.8323 45.4912 175.0333 88 L 5.1743 8.5604 124.2903 53.3834 44.2219 175.2509 89 I 4.5934 8.7847 127.1858 59.5439 39.9748 174.8248 90 L 5.0526 8.5071 126.2885 53.7767 43.3714 175.5827 91 S 4.3523 8.5743 115.8986 57.2595 67.1868 174.1822 92 G 3.9464 8.7126 107.2803 46.4786 0.0000 175.4805 93 Q 3.9146 8.5321 118.3749 58.9334 28.9393 178.5872 94 A 3.8271 7.8572 121.3173 55.0814 18.4009 179.3186 95 A 3.8545 7.7138 119.3035 55.0566 18.3578 179.5582 96 E 3.8267 7.9923 117.4787 59.3622 29.7695 179.0134 97 L 3.9448 8.0494 118.8731 57.8033 41.6166 179.3605 98 A 4.0209 8.2252 120.8600 55.2052 18.2726 179.8526 99 S 4.0481 8.2599 113.7218 61.9847 62.7250 176.9648 100 Q 4.0259 8.0024 119.3610 58.6497 28.5306 178.1408 101 L 4.2501 7.7565 117.2974 54.1424 42.5584 176.5302 102 Q 3.5105 8.2199 117.7383 56.6090 26.6731 173.7421 103 V 3.7760 8.0610 118.0702 63.3033 31.9501 174.9908 104 E 4.7092 9.0271 125.9749 56.3765 32.2577 176.1414 105 N 5.0326 8.0423 116.1622 51.3391 42.8478 173.3845 106 I 4.9125 8.3594 123.4049 59.7493 40.2290 174.5533 107 H 4.9969 9.2737 123.5625 53.8518 32.1186 172.5061 108 L 5.2115 8.5285 123.5835 53.4199 45.2759 175.2395 109 S 4.8456 9.1391 119.3680 56.6675 66.1962 172.5509 110 I 5.0838 8.2532 124.5032 59.8484 40.6127 174.7023 111 S 4.6785 8.4271 118.1626 56.9824 65.4449 172.5172 112 D 5.0474 8.4004 124.2230 51.6945 42.6537 174.5815 113 E 4.8769 8.8042 118.1032 55.0348 32.1643 176.0180 114 R 3.8517 8.8839 115.9575 59.6546 30.2887 177.1439 115 H 4.6516 9.5487 113.8219 55.7099 30.8377 173.5677 116 Y 5.3304 7.7075 113.2748 56.0510 42.0834 174.6353 117 A 5.4490 9.1993 123.4102 49.1490 23.1164 174.8650 *119 A 4.5796 8.2236 119.0861 52.4730 20.4637 175.9929 120 T 5.1503 8.6028 115.1470 61.7968 73.1510 173.3950 121 V 4.9088 8.8983 124.4284 61.2169 35.2349 174.1320 122 I 5.0266 8.8776 127.7067 59.5192 40.8005 174.1548 123 L 5.1007 8.7470 126.5739 53.0240 43.9926 175.1548 124 E 5.0330 9.2997 124.4764 54.1866 33.6136 175.9406 125 R 4.6038 8.3690 119.8442 55.5324 29.8463 175.8920 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 0 A 8.16 5.18 1.29 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 0.00 0.00 *2 I 8.09 4.04 1.87 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 1.30 0.59 0.94 0.00 0.00 3 V 8.77 4.12 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 0.74 0.00 0.00 0.98 0.00 0.00 4 G 7.50 4.72 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 5 L 8.30 5.35 0.00 1.71 1.44 0.91 1.01 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 6 G 9.11 4.39 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 0.00 7 T 8.28 5.25 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 8 D 8.89 4.79 0.00 2.83 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 9 I 8.47 5.04 1.87 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 1.38 1.32 0.92 0.00 0.00 10 A 9.54 4.93 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 11 E 8.89 4.42 0.00 2.15 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 2.22 1.97 0.00 12 I 8.59 3.71 1.86 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 1.42 0.48 0.91 0.00 0.00 13 E 8.04 4.06 0.00 1.98 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 0.00 2.33 2.37 0.00 14 R 7.77 3.84 0.00 1.96 1.86 0.00 3.29 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 15 V 7.62 3.54 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 1.28 0.00 0.00 0.81 0.00 0.00 16 E 8.37 4.03 0.00 2.18 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 0.00 2.36 2.50 0.00 17 K 8.30 3.94 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.54 7.81 18 A 7.80 3.78 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 19 L 8.14 4.16 0.00 1.99 1.86 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.04 4.07 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 21 R 7.49 4.24 0.00 1.72 1.95 0.00 3.05 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 22 S 8.58 4.71 0.00 3.88 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 23 G 8.73 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 24 E 9.23 4.02 0.00 2.05 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 2.52 2.43 0.00 25 N 7.82 4.30 0.00 2.89 2.95 0.00 0.00 7.02 8.80 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 26 F 8.21 4.48 0.00 3.01 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 27 A 8.03 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.43 3.83 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 29 R 7.46 4.06 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 30 I 7.25 3.60 1.44 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.06 0.67 0.00 0.00 31 L 7.18 4.78 0.00 1.50 1.50 0.42 0.86 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 32 T 8.74 4.00 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 1.28 0.00 0.00 33 D 8.40 4.35 0.00 2.65 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 34 S 7.99 4.29 0.00 4.07 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 0.00 35 E 8.02 4.23 0.00 2.22 2.20 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 2.41 2.36 0.00 36 L 8.00 3.88 0.00 1.94 1.79 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.60 3.98 0.00 2.23 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 2.56 2.51 0.00 38 Q 8.06 4.13 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 39 F 8.16 2.72 0.00 2.72 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 40 H 8.08 4.00 0.00 3.25 3.26 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 41 A 7.33 4.08 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 42 S 6.79 4.12 0.00 3.63 3.50 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 43 K 8.43 4.40 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.38 7.81 44 Q 8.01 4.64 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 45 Q 7.91 3.98 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 1.59 2.14 0.00 46 G 8.14 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 47 R 8.00 3.98 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.53 4.07 0.00 3.23 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 49 L 9.04 4.17 0.00 2.10 1.86 0.62 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.41 4.09 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 51 K 8.01 3.97 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 52 R 7.81 3.89 0.00 1.81 1.98 0.00 3.41 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 53 F 8.69 4.01 0.00 3.15 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 A 8.62 4.46 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.86 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 56 K 8.18 3.43 0.00 1.88 1.75 0.00 1.92 0.00 0.00 2.17 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.72 7.81 57 E 8.13 3.61 0.00 1.92 1.83 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 2.01 1.76 0.00 58 A 8.06 3.86 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 59 A 7.89 3.83 0.92 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 0.00 0.00 60 S 7.62 4.16 0.00 4.10 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 61 K 7.96 3.96 0.00 1.93 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.54 7.81 62 A 7.99 4.27 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 63 L 7.75 4.14 0.00 1.90 1.78 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.10 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 65 T 7.63 4.27 4.37 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 1.21 0.00 0.00 66 G 7.84 4.01 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 0.00 0.00 0.00 67 I 7.83 3.97 1.68 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 0.93 -0.05 0.68 0.00 0.00 68 A 8.40 4.22 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 69 Q 9.71 3.37 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.55 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 71 V 7.57 4.04 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 1.04 0.00 0.00 0.90 0.00 0.00 72 T 8.50 4.82 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 1.19 0.00 0.00 73 F 8.64 4.35 0.00 3.32 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 74 H 7.99 4.62 0.00 3.07 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.00 4.43 0.00 2.12 2.17 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 0.00 76 F 7.79 5.32 0.00 2.93 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 77 T 9.05 4.69 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 1.24 0.00 0.00 78 I 8.97 4.73 1.92 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 1.24 0.78 0.80 0.00 0.00 79 S 9.12 4.94 0.00 3.81 3.69 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 80 H 8.52 5.47 0.00 3.03 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.78 4.76 0.00 2.92 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 82 K 8.52 4.10 0.00 1.90 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.13 4.31 0.00 1.79 1.75 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.10 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 85 K 8.08 4.27 0.00 1.87 1.98 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.46 7.81 86 P 0.00 4.85 0.00 2.05 1.98 0.00 3.77 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 2.16 1.99 0.00 87 L 9.04 4.84 0.00 1.50 1.53 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.56 5.17 0.00 1.60 1.54 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.78 4.59 1.88 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 1.23 0.54 0.90 0.00 0.00 90 L 8.51 5.05 0.00 1.46 1.51 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.57 4.35 0.00 3.75 3.88 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 0.00 0.00 0.00 0.00 92 G 8.71 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 93 Q 8.53 3.91 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 94 A 7.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.71 3.85 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 96 E 7.99 3.83 0.00 2.08 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 0.00 2.28 2.48 0.00 97 L 8.05 3.94 0.00 2.02 1.69 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.23 4.02 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 99 S 8.26 4.05 0.00 4.04 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 0.00 100 Q 8.00 4.03 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 101 L 7.76 4.25 0.00 1.77 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.22 3.51 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 8.06 3.78 2.16 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 0.76 0.00 0.00 0.96 0.00 0.00 104 E 9.03 4.71 0.00 1.84 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 2.38 2.39 0.00 105 N 8.04 5.03 0.00 2.63 2.60 0.00 0.00 6.94 7.21 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 0.00 106 I 8.36 4.91 1.84 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 1.34 0.59 0.92 0.00 0.00 107 H 9.27 5.00 0.00 3.02 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.53 5.21 0.00 1.56 1.46 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.14 4.85 0.00 3.89 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 5.08 1.87 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 1.21 0.76 0.90 0.00 0.00 111 S 8.43 4.68 0.00 3.81 3.65 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 0.00 112 D 8.40 5.05 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.80 4.88 0.00 2.18 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 2.27 2.55 0.00 114 R 8.88 3.85 0.00 1.67 1.74 0.00 3.08 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 115 H 9.55 4.65 0.00 3.02 2.64 0.00 5.56 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.71 5.33 0.00 2.99 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 0.00 117 A 9.20 5.45 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 *119 A 8.22 4.58 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 0.00 120 T 8.60 5.15 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 0.00 121 V 8.90 4.91 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 0.99 0.00 0.00 0.89 0.00 0.00 122 I 8.88 5.03 1.91 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 1.23 0.70 0.93 0.00 0.00 123 L 8.75 5.10 0.00 1.60 1.57 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.30 5.03 0.00 2.02 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 2.20 2.23 0.00 125 R 8.37 4.60 0.00 2.08 2.03 0.00 3.21 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.