NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 F 4.4923 8.3244 119.0110 57.9138 38.6789 173.2752 6 N 4.0136 8.1566 123.4355 53.4109 37.0792 172.7017 7 T 3.9849 7.8919 116.8105 64.2168 68.7720 174.4193 8 L 4.0331 8.0522 122.0180 58.3128 42.1776 178.7479 9 A 3.7855 8.1046 120.6827 55.0078 18.2302 179.4127 10 Q 3.9779 7.8948 117.4060 59.4973 29.0883 178.2689 11 N 4.4553 8.7632 118.0476 56.2106 38.4991 177.2090 12 F 4.2022 8.6790 122.3736 61.6537 39.4978 177.3391 13 T 3.6119 8.1253 115.4420 66.6143 68.2150 176.4826 14 Q 4.1702 8.1598 121.5747 58.9728 28.9831 177.9957 15 F 4.2600 8.4503 122.1915 61.3578 39.3504 176.2240 16 Y 3.2142 7.6577 119.3527 60.9274 38.4837 177.9896 17 Y 4.3658 7.7960 117.3704 61.2049 37.9396 178.3144 18 N 4.4418 8.4710 117.6390 56.3263 38.6382 177.3053 19 Q 3.8464 8.0753 121.2758 58.8427 28.8201 177.8142 20 F 3.8275 7.9881 121.1775 61.4804 39.5034 176.6468 21 D 4.7792 8.2621 117.2235 57.5088 40.6578 178.5051 22 T 4.3775 7.7283 116.1775 64.4487 69.2525 175.3555 23 D 4.3651 8.5792 128.6682 53.2774 42.6462 176.0558 24 R 3.6911 8.2097 124.2657 58.0321 29.6321 178.9241 25 S 4.1799 8.1160 112.7334 60.1350 63.0649 174.7084 26 Q 4.5098 7.6351 119.5728 56.0610 28.7465 176.7839 27 L 4.2494 7.7162 117.9970 55.3819 41.7341 178.6912 28 G 3.9013 8.1252 106.8382 48.2449 0.0000 175.2165 29 N 4.5257 8.2630 116.6487 55.3084 38.8775 176.1963 30 L 4.6056 8.1882 119.2775 54.3928 42.0012 175.3550 31 Y 5.1617 7.6767 115.9006 56.1605 41.5117 174.1092 32 R 4.7574 8.9638 119.5009 54.2957 34.2433 176.3942 33 N 4.3517 8.7199 114.8686 56.6358 38.4437 176.7976 34 E 4.5182 8.0893 114.2735 56.6442 30.3632 176.6303 35 S 4.3306 7.8338 116.3146 58.9552 64.3494 173.1755 36 M 5.1465 8.8730 122.6158 53.3939 35.6026 174.3218 37 L 5.3246 9.1119 124.7643 53.6140 45.6717 175.0826 38 T 4.9980 9.3057 123.4903 62.0550 70.9648 173.0372 39 F 5.1404 9.2077 130.6837 55.9328 41.4373 176.1137 40 E 3.9757 8.8753 129.0285 58.1857 28.8457 176.5829 41 T 4.3912 8.9331 118.0578 62.6936 69.4890 174.3936 42 S 4.6872 8.4948 120.2291 57.8023 64.1572 172.9461 43 Q 5.0822 8.5334 121.9632 54.3008 31.5046 174.6729 44 L 4.9476 9.2343 123.7896 52.8677 46.1697 175.4061 45 Q 4.8245 8.5685 121.5231 55.5437 32.3096 175.0606 46 G 4.0107 9.2373 113.1189 45.3917 0.0000 174.0455 47 A 3.9038 8.7663 124.1845 55.0576 18.2915 179.8913 48 K 3.7597 8.0184 117.2341 60.1044 32.3097 178.6083 49 D 4.3395 7.9481 118.3737 57.1214 40.7771 178.7872 50 I 3.4788 7.7113 120.4397 64.4541 37.0563 178.6770 51 V 3.4926 7.9790 119.3576 65.7506 31.3761 177.6142 52 E 3.7904 8.1430 119.2647 59.0076 29.2319 178.7353 53 K 3.7752 7.6097 118.4933 59.3933 32.6412 178.4662 54 L 3.8276 7.5927 119.1850 57.7786 41.3122 179.7514 55 V 3.4507 7.5905 117.3295 65.6618 31.4792 177.8578 56 S 4.1448 7.5571 112.5145 59.1792 63.0795 174.6873 57 L 3.6621 6.6781 122.9317 54.4904 41.9149 176.8508 58 P 4.5160 0.0000 0.0000 60.7810 29.2993 175.1422 59 F 4.8980 6.7708 114.4248 56.8167 40.8849 175.3513 60 Q 4.2535 9.2018 123.8486 58.2083 29.1394 176.5766 61 K 4.9541 8.8844 116.6933 54.5004 36.0590 176.1387 62 V 4.7339 8.2841 122.1157 60.1839 34.9060 174.2626 63 Q 4.6480 8.6355 123.3657 55.0108 32.2391 173.3496 64 H 4.9473 9.6336 124.5758 55.1578 30.2960 175.2945 65 R 4.5501 8.8948 120.9785 54.3831 33.3234 174.6490 66 I 4.1577 8.4712 125.6253 61.6879 37.7802 175.9422 67 T 4.4598 9.0163 124.0165 65.1343 70.4076 174.9781 68 T 4.9056 7.4474 110.6909 59.9083 72.6909 173.0749 69 L 5.0747 8.4782 125.1839 54.0410 44.9877 174.6544 70 D 5.1064 9.3785 126.5284 52.4020 44.0482 175.1064 71 A 5.3612 8.6523 123.8619 50.5396 22.3515 175.1184 72 Q 4.6180 8.8453 117.2525 53.6340 33.9310 172.6818 73 P 4.6498 0.0000 0.0000 62.8917 31.3711 176.5896 74 A 4.3201 8.9375 126.7719 53.9381 19.1007 176.7362 75 S 4.4629 7.4643 107.7100 57.3448 65.2260 173.3074 76 P 4.2443 0.0000 0.0000 64.0834 31.1272 176.9798 77 Y 4.4050 8.1871 115.0854 58.2899 38.3319 174.9746 78 G 3.5368 8.1755 113.1032 45.5713 0.0000 173.9314 79 D 4.8463 7.8899 120.4009 53.3281 41.1537 175.7104 80 V 4.8119 8.8909 119.3800 61.1269 35.5437 173.6243 81 L 5.1207 8.8852 128.7521 53.3751 44.4687 175.1612 82 V 4.8673 8.9125 125.5432 61.3970 34.8235 173.4497 83 M 5.1244 9.3497 128.0795 53.8869 34.7211 174.4409 84 I 5.2827 9.2675 126.2407 59.7206 41.4588 174.4762 85 T 4.4759 8.6333 115.4552 59.6594 72.0651 174.2483 86 G 3.9082 6.5408 109.2557 45.7026 0.0000 171.2198 87 D 5.4341 8.0401 118.9679 52.2052 43.7577 174.3704 88 L 5.0006 9.3696 119.5689 53.0236 44.9196 175.9316 89 L 4.7884 8.9473 124.0049 53.4114 43.0728 175.2156 90 I 4.2289 8.1608 125.5914 61.9442 38.8412 177.0839 91 D 4.3473 9.8343 128.4466 55.4424 40.4953 175.2069 92 E 4.7270 9.1301 119.8136 56.6358 31.7390 175.0220 93 E 4.1505 8.6310 119.6223 56.8795 31.3105 176.8081 94 Q 3.2009 8.7940 111.5955 58.5415 27.9537 179.4374 95 N 4.7766 8.9270 112.9784 52.3621 40.5876 172.7775 96 P 4.7240 0.0000 0.0000 62.5828 33.1592 175.3011 97 Q 4.5608 8.9702 122.8613 54.6168 30.4899 175.1392 98 R 4.8064 8.5906 126.1122 56.4366 31.8899 175.5018 99 F 5.1078 8.4313 115.9535 56.0427 42.0251 172.9796 100 S 4.9356 8.6120 114.5872 56.9524 66.8992 173.1993 101 Q 5.2075 9.2085 123.8373 54.7238 33.1149 173.5824 102 V 4.8987 8.6635 123.8893 59.9404 34.9746 174.2583 103 F 5.6565 9.2751 122.0708 56.0189 42.8290 173.6757 104 H 5.2225 9.2728 122.6471 54.7170 31.8187 172.5190 105 L 4.7541 9.1785 127.1269 53.2338 43.7198 175.7744 106 I 4.6066 7.7145 124.1330 58.4624 39.7133 173.5402 107 P 4.3009 0.0000 0.0000 62.8271 32.4125 176.1855 108 D 4.4255 8.9413 123.5303 53.4430 43.3338 175.4384 109 G 3.8510 8.2324 119.2209 47.0776 0.0000 172.6461 110 N 4.8025 8.5889 118.4017 52.8044 39.6941 173.6246 111 S 4.3643 7.5029 112.0312 57.3874 66.1216 171.0631 112 Y 5.2255 8.2512 115.4011 56.8979 42.3969 173.8842 113 Y 5.0070 8.1943 116.8733 55.4832 41.8974 174.6543 114 V 4.1951 9.0046 122.6125 62.9391 31.6517 175.2013 115 F 4.8716 9.3874 130.9251 59.6767 41.2171 175.1234 116 N 5.4581 8.3307 115.2171 51.3911 42.1865 173.3767 117 D 5.2667 9.2212 122.3636 53.0126 44.8190 173.8378 118 I 5.0623 8.7068 127.1666 59.4644 40.5048 174.5764 119 F 5.1461 9.5381 129.1674 56.4830 42.8130 173.5869 120 R 4.7589 8.0360 123.9029 54.3513 34.1312 174.4534 121 L 4.7127 9.5124 124.2194 53.6935 43.3681 175.4376 122 N 4.5924 8.5844 120.5238 51.8031 40.7778 173.9492 123 Y 4.9288 8.0466 122.2987 58.2836 38.4386 175.8712 124 S 4.3660 8.8244 122.7983 58.9202 62.9459 174.1637 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 *5 F 8.32 4.49 0.00 2.32 2.19 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 6 N 8.16 4.01 0.00 3.00 2.79 0.00 0.00 6.71 6.33 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 7 T 7.89 3.98 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 1.25 0.00 0.00 8 L 8.05 4.03 0.00 1.90 2.08 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.10 3.79 1.17 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 0.00 0.00 10 Q 7.89 3.98 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 11 N 8.76 4.46 0.00 3.00 2.93 0.00 0.00 6.68 7.81 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 12 F 8.68 4.20 0.00 3.42 3.21 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 13 T 8.13 3.61 4.50 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 1.33 0.00 0.00 14 Q 8.16 4.17 0.00 2.40 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 15 F 8.45 4.26 0.00 2.99 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 16 Y 7.66 3.21 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.37 0.00 3.13 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 18 N 8.47 4.44 0.00 2.93 2.92 0.00 0.00 6.64 7.08 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 19 Q 8.08 3.85 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 20 F 7.99 3.83 0.00 3.02 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 21 D 8.26 4.78 0.00 2.92 2.86 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 22 T 7.73 4.38 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 1.21 0.00 0.00 23 D 8.58 4.37 0.00 2.54 2.45 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 24 R 8.21 3.69 0.00 1.24 1.29 0.00 2.48 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 25 S 8.12 4.18 0.00 3.92 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 26 Q 7.64 4.51 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 27 L 7.72 4.25 0.00 1.75 1.73 0.52 -0.11 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 28 G 8.13 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 0.00 0.00 0.00 29 N 8.26 4.53 0.00 2.78 3.00 0.00 0.00 6.88 7.85 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 30 L 8.19 4.61 0.00 1.66 1.75 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.68 5.16 0.00 3.01 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 32 R 8.96 4.76 0.00 1.64 1.64 0.00 3.01 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 33 N 8.72 4.35 0.00 2.77 2.89 0.00 0.00 6.81 7.66 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 34 E 8.09 4.52 0.00 2.32 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 2.38 2.43 0.00 35 S 7.83 4.33 0.00 4.10 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 36 M 8.87 5.15 0.00 1.87 1.78 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 2.49 2.37 0.00 37 L 9.11 5.32 0.00 1.69 1.45 1.28 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.31 5.00 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 1.26 0.00 0.00 39 F 9.21 5.14 0.00 3.27 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 40 E 8.88 3.98 0.00 2.43 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 2.25 2.64 0.00 41 T 8.93 4.39 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 1.27 0.00 0.00 42 S 8.49 4.69 0.00 4.12 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 43 Q 8.53 5.08 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 44 L 9.23 4.95 0.00 1.51 1.45 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.57 4.82 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 46 G 9.24 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 47 A 8.77 3.90 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 48 K 8.02 3.76 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 49 D 7.95 4.34 0.00 2.83 2.65 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 50 I 7.71 3.48 1.62 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.14 0.00 0.00 51 V 7.98 3.49 2.06 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 1.02 0.00 0.00 0.95 0.00 0.00 52 E 8.14 3.79 0.00 2.14 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 0.00 2.22 2.24 0.00 53 K 7.61 3.78 0.00 1.67 1.87 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.30 1.07 7.81 54 L 7.59 3.83 0.00 1.67 1.37 1.04 0.91 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 55 V 7.59 3.45 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 0.73 0.00 0.00 0.82 0.00 0.00 56 S 7.56 4.14 0.00 3.98 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 57 L 6.68 3.66 0.00 0.84 0.83 1.14 0.61 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 58 P 0.00 4.52 0.00 2.17 2.03 0.00 3.67 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 2.02 1.95 0.00 59 F 6.77 4.90 0.00 3.20 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 60 Q 9.20 4.25 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 61 K 8.88 4.95 0.00 1.67 1.66 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 62 V 8.28 4.73 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 0.00 0.00 0.89 0.00 0.00 0.55 0.00 0.00 63 Q 8.64 4.65 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 64 H 9.63 4.95 0.00 2.87 2.88 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.89 4.55 0.00 1.97 1.80 0.00 3.11 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 66 I 8.47 4.16 1.92 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.99 0.00 0.00 67 T 9.02 4.46 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 1.14 0.00 0.00 68 T 7.45 4.91 4.21 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 1.16 0.00 0.00 69 L 8.48 5.07 0.00 1.70 1.61 1.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 D 9.38 5.11 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.65 5.36 1.19 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 0.00 0.00 72 Q 8.85 4.62 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 73 P 0.00 4.65 0.00 1.91 1.97 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 74 A 8.94 4.32 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 75 S 7.46 4.46 0.00 4.09 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 76 P 0.00 4.24 0.00 1.14 1.81 0.00 3.28 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 77 Y 8.19 4.40 0.00 3.02 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 78 G 8.18 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 79 D 7.89 4.85 0.00 2.89 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 80 V 8.89 4.81 1.82 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 0.93 0.00 0.00 1.00 0.00 0.00 81 L 8.89 5.12 0.00 1.74 1.59 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.91 4.87 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 1.13 0.00 0.00 0.93 0.00 0.00 83 M 9.35 5.12 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 84 I 9.27 5.28 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.74 1.14 0.00 0.00 85 T 8.63 4.48 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 1.07 0.00 0.00 86 G 6.54 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 87 D 8.04 5.43 0.00 2.84 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 88 L 9.37 5.00 0.00 1.51 1.39 0.87 -0.19 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 89 L 8.95 4.79 0.00 1.49 1.59 0.91 0.76 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 90 I 8.16 4.23 1.86 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 0.95 0.54 0.93 0.00 0.00 91 D 9.83 4.35 0.00 2.74 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 0.00 0.00 0.00 0.00 92 E 9.13 4.73 0.00 1.91 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 2.22 2.30 0.00 93 E 8.63 4.15 0.00 2.08 1.98 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 2.46 2.35 0.00 94 Q 8.79 3.20 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 95 N 8.93 4.78 0.00 2.71 2.79 0.00 0.00 6.84 8.02 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 96 P 0.00 4.72 0.00 2.07 2.04 0.00 3.74 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 1.96 1.95 0.00 97 Q 8.97 4.56 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 98 R 8.59 4.81 0.00 1.76 1.71 0.00 3.15 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 99 F 8.43 5.11 0.00 2.51 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 0.00 100 S 8.61 4.94 0.00 3.58 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 0.00 101 Q 9.21 5.21 0.00 2.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 1.39 2.38 0.00 102 V 8.66 4.90 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 0.72 0.00 0.00 1.01 0.00 0.00 103 F 9.28 5.66 0.00 2.95 2.74 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 0.00 104 H 9.27 5.22 0.00 3.35 3.42 0.00 5.76 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.18 4.75 0.00 1.02 0.75 0.42 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.71 4.61 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.42 0.69 0.00 0.00 107 P 0.00 4.30 0.00 1.83 1.74 0.00 3.59 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 1.99 2.15 0.00 108 D 8.94 4.43 0.00 2.78 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 0.00 109 G 8.23 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 0.00 0.00 0.00 110 N 8.59 4.80 0.00 2.59 2.73 0.00 0.00 6.50 7.63 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 0.00 111 S 7.50 4.36 0.00 3.91 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 0.00 112 Y 8.25 5.23 0.00 1.43 2.30 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 0.00 113 Y 8.19 5.01 0.00 3.14 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 0.00 114 V 9.00 4.20 1.61 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 0.98 0.00 0.00 0.59 0.00 0.00 115 F 9.39 4.87 0.00 3.12 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 0.00 116 N 8.33 5.46 0.00 2.85 2.78 0.00 0.00 6.49 8.08 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 0.00 117 D 9.22 5.27 0.00 3.15 2.88 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 0.00 118 I 8.71 5.06 1.86 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 1.15 0.61 0.90 0.00 0.00 119 F 9.54 5.15 0.00 3.11 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 0.00 120 R 8.04 4.76 0.00 1.48 1.49 0.00 3.27 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 121 L 9.51 4.71 0.00 1.67 1.68 1.20 1.14 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 0.00 122 N 8.58 4.59 0.00 2.56 2.59 0.00 0.00 7.11 7.05 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 0.00 123 Y 8.05 4.93 0.00 2.98 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 0.00 124 S 8.82 4.37 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.