NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2400 8.1749 115.2448 61.7600 68.5040 172.8813 3 I 4.0303 8.1026 127.4146 60.1301 38.0704 173.7277 4 H 4.9192 9.5665 123.4842 53.8057 31.8837 173.3651 5 K 5.4411 8.4218 121.9630 53.3793 35.8050 175.5184 6 K 4.7546 8.7492 120.6821 54.5994 35.7644 175.2623 7 G 4.6610 8.6241 109.2201 44.6887 0.0000 171.3596 8 Q 4.9064 9.0867 117.7611 54.9305 32.6172 173.2343 9 A 5.2301 8.3350 119.6796 51.1791 22.6004 175.0044 10 H 5.0912 9.6051 118.9711 54.2724 33.4828 172.1912 11 W 5.6197 8.4549 133.3226 55.8133 34.3396 173.6904 12 E 4.5536 7.7201 122.4332 56.1699 32.7536 176.3921 13 S 4.2431 8.7526 117.0314 57.4299 61.9824 167.5595 14 D 4.8762 8.1725 118.1121 52.8850 41.2667 176.0043 15 I 4.1980 8.5096 120.3233 64.6592 38.3919 178.3697 *16 K 4.1577 8.3688 123.0109 57.2979 31.9090 180.9249 *17 R 4.4574 10.1362 115.1468 55.8114 30.0275 178.0646 18 G 4.5968 8.0948 104.0395 45.3953 0.0000 172.7111 19 K 3.8011 7.4581 118.2601 55.3892 36.9093 174.7212 20 G 4.2834 7.6116 107.0032 45.6374 0.0000 171.4992 21 T 5.6780 9.2747 108.8299 60.0986 72.7815 173.3700 22 V 4.9648 9.1234 121.8707 60.3537 34.9131 174.5903 23 S 5.1518 9.2238 118.1299 57.3848 68.0979 172.6921 24 T 5.0287 8.7150 110.5477 59.6549 71.8368 174.8885 25 E 4.1470 8.9400 121.2985 59.4594 30.0558 179.4648 26 S 4.0725 8.1753 114.1700 59.5413 63.2910 175.2488 27 G 4.0073 7.9468 108.8837 45.0325 0.0000 174.7623 28 V 3.7021 7.5247 112.7093 63.2802 31.9079 176.3788 29 L 4.6040 7.7735 120.0401 52.7359 43.3772 175.0322 30 N 4.9731 8.1872 121.5834 52.3488 40.1013 173.4464 31 Q 3.5234 8.8669 127.7974 56.7386 27.1590 174.3193 32 Q 4.2649 8.0187 119.1220 55.2007 30.3216 173.6162 33 P 5.1259 0.0000 0.0000 63.1699 32.1718 175.0962 34 Y 4.8362 8.3171 120.2884 56.5486 41.9952 174.8148 35 G 4.1887 8.3059 106.6649 44.9190 0.0000 173.4698 36 F 4.2908 8.9482 120.2799 61.2712 39.5244 177.5968 37 N 4.3660 8.4822 116.5528 56.6176 36.7737 177.1303 38 T 4.6083 7.7941 111.8249 63.0126 69.1477 175.8429 39 R 3.8281 7.5951 120.7077 57.7969 30.3970 177.2840 40 F 4.6250 7.8689 115.0039 57.0632 40.6940 176.0210 41 E 4.3953 7.8236 115.9247 55.4853 29.5544 176.4600 42 G 3.8783 8.0913 105.6190 45.8458 0.0000 173.7693 43 E 4.0745 7.8303 121.1215 55.0360 30.2319 176.1683 44 K 4.1838 8.7339 127.1953 55.2905 32.7616 176.2399 45 G 4.2587 8.0770 116.2920 44.8859 0.0000 171.5871 46 T 4.3629 8.0920 114.4563 61.4556 67.9567 173.0583 47 N 4.6268 7.9746 120.5696 50.4582 40.8255 173.5237 48 P 4.1412 0.0000 0.0000 65.6551 31.2185 178.7828 49 E 3.9205 8.0484 117.0196 59.4930 29.4037 179.1840 50 E 3.9726 8.8340 117.8338 59.2694 29.5210 179.1638 51 L 3.9745 7.6136 119.9142 57.7268 41.5991 179.4334 52 I 3.8272 7.9651 119.9842 64.1548 36.9100 178.6936 53 G 3.6097 8.4981 106.8547 47.6722 0.0000 175.6148 54 A 3.9754 8.2783 123.2214 54.8406 18.4210 179.4665 55 A 3.9440 8.0997 119.3508 55.6285 18.3730 179.3959 56 H 4.1808 8.6525 116.7599 59.4261 29.9688 177.3140 57 A 4.0365 8.3971 122.7116 55.1140 17.9576 179.5208 58 A 3.9546 8.0140 118.3910 55.5187 18.5826 179.1708 59 C 4.2313 8.1309 116.1673 62.4311 31.8828 175.2529 60 F 4.3925 8.5764 122.4984 61.2806 38.9696 177.9898 61 S 4.1063 8.1619 111.2094 59.2159 62.1136 175.8991 *63 A 4.1839 7.9586 127.2270 52.1322 20.2748 179.7124 64 L 3.5938 7.6032 116.8123 58.0780 42.5603 178.2406 65 S 4.1583 8.0798 113.3855 61.3270 62.5960 176.0061 66 L 4.0578 7.3851 117.4638 56.3642 41.6262 178.0825 *68 L 4.3919 8.0695 118.8495 54.6514 43.7341 179.3409 69 G 4.0021 8.3133 107.4378 48.0963 0.0000 175.6063 70 E 3.9924 8.2031 118.5740 58.5574 29.4774 177.6951 71 A 4.3369 7.9561 119.2290 51.8566 19.1115 177.1016 72 G 3.6050 8.4127 104.4719 46.3145 0.0000 173.8061 73 F 4.9408 8.5966 119.4121 56.0112 42.4997 175.2734 *74 T 4.6706 8.4987 115.1712 58.0827 70.7225 172.5798 75 P 4.6826 0.0000 0.0000 61.9004 32.3115 176.6512 76 T 4.2422 8.8942 120.6032 66.5025 69.0578 175.1335 77 S 4.7109 7.6747 113.2677 57.2914 66.2479 173.6637 78 I 5.0756 8.3780 122.3814 59.7476 40.3584 174.4027 79 D 4.9061 9.2894 126.5928 52.9614 43.8052 174.8731 80 T 5.2405 8.7111 119.9475 61.9572 71.6306 173.8517 81 T 4.7393 9.2623 121.6520 61.5983 72.1311 172.9421 82 A 4.9404 8.5622 126.5365 50.2533 21.4800 175.1795 83 D 4.5824 9.0401 124.1362 53.3881 42.3695 175.3917 84 V 4.5232 8.2585 126.9605 62.0015 32.7097 175.0570 85 S 4.6550 9.2610 125.1142 57.1740 64.6316 172.9120 86 L 4.9258 8.6414 127.1593 53.7481 43.2120 174.9961 87 D 5.0857 9.0388 126.9559 52.4762 43.7281 175.8554 88 K 3.8981 8.3877 122.3724 56.0308 33.1553 176.3613 89 V 4.5063 8.5690 119.3714 59.2839 36.0134 175.9413 90 D 4.2801 8.8921 120.5465 57.8520 40.5113 178.4402 91 A 4.2051 7.7875 118.5269 52.7951 20.3053 175.1381 92 G 3.8936 7.5868 108.2587 44.0136 0.0000 174.9586 93 F 5.2443 8.8725 115.0384 55.9038 44.2205 173.6120 94 A 4.7343 8.9874 122.7807 50.9348 22.9922 176.0646 95 I 4.5901 8.4660 122.3651 61.0033 36.8540 175.6069 96 T 4.3674 8.5212 118.5407 62.8503 70.6407 174.5542 97 K 4.9788 7.6154 121.1708 55.4950 36.1955 174.2798 98 I 5.0386 8.7714 125.3031 59.6338 41.0348 174.2201 99 A 4.8332 8.9305 130.4296 49.7409 20.4169 175.6002 100 L 4.6932 8.7173 123.7454 54.0569 43.6911 176.0682 101 K 4.9831 9.1635 125.2947 54.6923 35.0359 174.6358 102 S 5.3227 9.2356 121.8189 56.5828 66.3640 172.2285 103 E 5.1748 9.4036 126.1371 54.7085 31.8608 175.1053 104 V 4.9515 8.8010 124.2844 60.8675 35.3495 174.0809 105 A 4.9843 8.7980 128.2254 50.1732 21.5481 175.4486 106 V 4.4617 8.4630 122.4599 60.6677 34.8424 173.2251 107 P 4.1531 0.0000 0.0000 64.4320 31.5750 176.6885 108 G 4.0944 8.8061 109.7611 46.1722 0.0000 172.6730 109 I 3.8304 6.9357 116.9439 59.5303 38.7561 175.8298 110 D 4.4468 8.3953 125.5638 54.0157 42.9286 177.0885 111 A 4.0379 8.5652 128.3675 55.4623 18.5681 179.9965 112 S 4.1209 8.1316 111.1584 61.7699 62.6589 176.3444 113 T 3.8820 8.4663 118.6428 66.5220 68.1709 176.3410 114 F 3.9623 8.4126 122.8116 61.3325 39.3863 176.4559 115 D 4.2758 8.3999 117.6862 57.3851 40.8892 178.4648 116 G 3.6255 7.8564 105.5895 47.9207 0.0000 175.7481 117 I 3.6085 7.4351 121.9714 64.0840 37.1038 178.4651 118 I 3.4141 7.3924 119.8205 63.9060 37.7652 177.9832 119 Q 3.9938 8.0658 119.1253 58.6934 28.4439 178.7345 120 K 4.0127 7.8705 119.3194 59.2475 32.0316 179.3004 121 A 3.9734 7.9389 121.2847 54.8589 18.0263 179.5797 122 K 4.0477 8.3689 117.3857 59.1063 32.4112 178.0554 123 A 4.6101 7.9175 118.0625 52.4557 19.6860 178.1275 124 G 3.9020 7.9452 102.9883 44.6320 0.0000 174.8112 125 C 4.3656 7.5243 116.8517 57.4446 31.6817 172.6202 126 P 4.2209 0.0000 0.0000 66.1388 30.7433 179.1277 127 V 3.5615 7.6834 114.7370 66.0397 31.8098 177.6352 128 S 4.2055 8.0688 114.3915 61.8850 62.5388 176.5967 129 Q 4.0633 8.0643 119.5603 58.5292 28.4993 178.6157 130 V 3.9180 7.3540 117.7136 61.8407 32.3809 176.3127 131 L 4.3845 7.0410 119.5235 54.1009 42.4043 176.8283 132 K 4.2617 8.3937 120.0554 56.9440 33.0463 177.0329 133 A 4.2643 7.6425 120.2115 51.3975 19.3965 176.8672 134 E 4.0703 9.0193 121.5216 56.3403 30.9703 175.7165 135 I 5.0022 8.4025 127.3110 59.8157 39.5210 174.9280 136 T 4.7159 8.4498 116.8274 59.8292 72.1454 173.0533 137 L 5.0478 8.2225 123.2659 53.6835 45.3883 174.9043 138 D 5.0952 9.3354 125.8669 52.7335 44.2428 174.4249 139 Y 6.0458 8.3121 120.1095 54.4333 42.2318 174.4244 140 Q 4.4595 8.7232 117.1899 54.1082 32.6779 173.9353 141 L 4.9208 8.6874 126.1100 53.2643 44.1453 175.3799 142 K 4.6068 8.8691 126.2282 54.5564 34.5615 176.6953 143 S 4.5377 8.2535 118.4286 57.2572 63.1540 173.8009 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 2 T 8.17 4.24 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 1.23 0.00 0.00 3 I 8.10 4.03 1.85 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 1.41 0.79 0.91 0.00 0.00 4 H 9.57 4.92 0.00 3.07 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.42 5.44 0.00 1.68 1.66 0.00 1.78 0.00 0.00 2.48 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.32 7.81 6 K 8.75 4.75 0.00 1.67 1.66 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 G 8.62 4.66 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 0.00 0.00 0.00 8 Q 9.09 4.91 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 9 A 8.34 5.23 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 10 H 9.61 5.09 0.00 3.30 3.20 0.00 5.73 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 11 W 8.45 5.62 0.00 3.48 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 12 E 7.72 4.55 0.00 1.98 1.91 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 2.06 2.04 0.00 13 S 8.75 4.24 0.00 3.98 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 14 D 8.17 4.88 0.00 2.99 2.87 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 15 I 8.51 4.20 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.81 0.00 0.00 *16 K 8.37 4.16 0.00 1.81 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *17 R 10.14 4.46 0.00 1.82 1.84 0.00 3.22 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 18 G 8.09 4.60 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 19 K 7.46 3.80 0.00 1.44 1.55 0.00 1.16 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 1.05 7.81 20 G 7.61 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 0.00 0.00 0.00 0.00 21 T 9.27 5.68 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 1.24 0.00 0.00 22 V 9.12 4.96 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 0.78 0.00 0.00 0.85 0.00 0.00 23 S 9.22 5.15 0.00 3.73 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 24 T 8.71 5.03 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 1.20 0.00 0.00 25 E 8.94 4.15 0.00 2.09 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 2.41 2.27 0.00 26 S 8.18 4.07 0.00 4.00 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 27 G 7.95 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 28 V 7.52 3.70 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 29 L 7.77 4.60 0.00 1.72 1.54 0.90 0.35 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 30 N 8.19 4.97 0.00 2.62 2.69 0.00 0.00 7.26 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 31 Q 8.87 3.52 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 32 Q 8.02 4.26 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 P 0.00 5.13 0.00 2.00 1.96 0.00 3.78 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 2.09 0.00 34 Y 8.32 4.84 0.00 3.19 3.02 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 35 G 8.31 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 0.00 0.00 0.00 0.00 36 F 8.95 4.29 0.00 3.48 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 37 N 8.48 4.37 0.00 3.16 3.18 0.00 0.00 5.99 7.22 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 38 T 7.79 4.61 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 1.32 0.00 0.00 39 R 7.60 3.83 0.00 1.64 1.19 0.00 2.96 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 40 F 7.87 4.62 0.00 1.88 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 41 E 7.82 4.40 0.00 2.08 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 2.20 2.42 0.00 42 G 8.09 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 0.00 0.00 0.00 43 E 7.83 4.07 0.00 2.07 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 0.00 2.31 2.25 0.00 44 K 8.73 4.18 0.00 1.75 1.71 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 G 8.08 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 0.00 0.00 0.00 0.00 46 T 8.09 4.36 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 47 N 7.97 4.63 0.00 2.85 2.80 0.00 0.00 5.92 7.76 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 48 P 0.00 4.14 0.00 2.08 2.06 0.00 3.47 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 49 E 8.05 3.92 0.00 2.15 1.95 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 2.32 2.38 0.00 50 E 8.83 3.97 0.00 2.14 2.18 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 2.50 2.32 0.00 51 L 7.61 3.97 0.00 1.81 1.71 0.83 0.68 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 52 I 7.97 3.83 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.90 0.00 0.00 53 G 8.50 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 0.00 0.00 0.00 54 A 8.28 3.98 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 55 A 8.10 3.94 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 56 H 8.65 4.18 0.00 3.33 3.41 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.40 4.04 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 58 A 8.01 3.95 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 59 C 8.13 4.23 0.00 3.09 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 60 F 8.58 4.39 0.00 3.16 3.28 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 61 S 8.16 4.11 0.00 3.92 3.84 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 *63 A 7.96 4.18 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 64 L 7.60 3.59 0.00 0.90 1.48 0.57 0.73 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 65 S 8.08 4.16 0.00 3.88 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 66 L 7.39 4.06 0.00 1.81 1.76 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *68 L 8.07 4.39 0.00 2.05 1.88 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.31 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 70 E 8.20 3.99 0.00 1.98 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 2.34 2.52 0.00 71 A 7.96 4.34 1.54 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 72 G 8.41 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 73 F 8.60 4.94 0.00 3.24 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 *74 T 8.50 4.67 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 1.21 0.00 0.00 75 P 0.00 4.68 0.00 2.19 2.13 0.00 3.77 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 2.00 2.00 0.00 76 T 8.89 4.24 4.31 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 1.21 0.00 0.00 77 S 7.67 4.71 0.00 3.86 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 78 I 8.38 5.08 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.94 0.00 0.00 79 D 9.29 4.91 0.00 2.59 2.58 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 80 T 8.71 5.24 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 1.30 0.00 0.00 81 T 9.26 4.74 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 1.21 0.00 0.00 82 A 8.56 4.94 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 83 D 9.04 4.58 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.52 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 0.84 0.00 0.00 1.00 0.00 0.00 85 S 9.26 4.66 0.00 3.87 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 86 L 8.64 4.93 0.00 1.61 1.60 1.10 1.12 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 87 D 9.04 5.09 0.00 2.65 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 88 K 8.39 3.90 0.00 1.37 1.52 0.00 1.05 0.00 0.00 0.74 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.26 7.81 89 V 8.57 4.51 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 0.68 0.00 0.00 0.95 0.00 0.00 90 D 8.89 4.28 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.79 4.21 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 92 G 7.59 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 93 F 8.87 5.24 0.00 3.06 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 94 A 8.99 4.73 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 95 I 8.47 4.59 1.88 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 1.41 0.63 0.92 0.00 0.00 96 T 8.52 4.37 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 1.23 0.00 0.00 97 K 7.62 4.98 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.60 7.81 98 I 8.77 5.04 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.91 0.00 0.00 99 A 8.93 4.83 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 0.00 100 L 8.72 4.69 0.00 1.36 1.16 0.21 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.16 4.98 0.00 1.74 1.62 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 102 S 9.24 5.32 0.00 4.10 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 0.00 103 E 9.40 5.17 0.00 1.95 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 2.41 2.26 0.00 104 V 8.80 4.95 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 1.15 0.00 0.00 1.14 0.00 0.00 105 A 8.80 4.98 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 0.00 106 V 8.46 4.46 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 0.92 0.00 0.00 0.91 0.00 0.00 107 P 0.00 4.15 0.00 2.25 2.00 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 108 G 8.81 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 0.00 109 I 6.94 3.83 1.25 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.27 0.64 0.00 0.00 110 D 8.40 4.45 0.00 2.86 2.54 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 0.00 111 A 8.57 4.04 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 0.00 112 S 8.13 4.12 0.00 3.94 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 0.00 113 T 8.47 3.88 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 1.31 0.00 0.00 114 F 8.41 3.96 0.00 3.06 3.22 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 0.00 115 D 8.40 4.28 0.00 3.05 2.87 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 0.00 116 G 7.86 3.63 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 0.00 0.00 0.00 117 I 7.44 3.61 1.70 0.00 0.00 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 1.37 0.75 0.76 0.00 0.00 118 I 7.39 3.41 0.63 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.24 0.00 0.00 119 Q 8.07 3.99 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 120 K 7.87 4.01 0.00 1.86 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 121 A 7.94 3.97 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 0.00 122 K 8.37 4.05 0.00 1.95 2.03 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.25 7.81 123 A 7.92 4.61 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 0.00 124 G 7.95 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 0.00 125 C 7.52 4.37 0.00 3.23 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 0.00 126 P 0.00 4.22 0.00 2.18 2.16 0.00 3.61 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 2.12 2.17 0.00 127 V 7.68 3.56 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 0.73 0.00 0.00 0.94 0.00 0.00 128 S 8.07 4.21 0.00 4.09 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 0.00 129 Q 8.06 4.06 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 130 V 7.35 3.92 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 0.83 0.00 0.00 0.92 0.00 0.00 131 L 7.04 4.38 0.00 1.72 1.60 0.74 1.19 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 0.00 132 K 8.39 4.26 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 133 A 7.64 4.26 1.30 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 0.00 134 E 9.02 4.07 0.00 2.06 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 0.00 2.30 2.29 0.00 135 I 8.40 5.00 1.87 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 1.45 1.01 0.87 0.00 0.00 136 T 8.45 4.72 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 0.00 137 L 8.22 5.05 0.00 1.47 1.52 0.82 1.12 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 0.00 138 D 9.34 5.10 0.00 2.58 2.50 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 0.00 139 Y 8.31 6.05 0.00 3.20 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 0.00 140 Q 8.72 4.46 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 141 L 8.69 4.92 0.00 1.57 1.51 -0.46 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.87 4.61 0.00 1.64 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.31 7.81 143 S 8.25 4.54 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.