NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8690 8.3393 109.7359 44.6836 0.0000 174.2671 2 P 4.2772 0.0000 0.0000 61.3677 29.8174 174.4471 3 L 4.1838 8.3101 125.4882 55.4752 43.1369 178.8646 4 G 4.0341 8.3334 107.3404 44.7183 0.0000 172.7080 5 S 4.3411 8.0289 114.7863 57.3879 63.1588 173.2194 6 M 4.0472 8.5384 125.7766 55.1362 32.6681 176.0101 7 A 3.9185 8.5292 128.7227 51.6502 18.2672 175.9022 8 L 4.7692 8.7905 119.5435 53.0607 43.9645 176.1626 9 R 4.4932 8.4927 123.2847 55.7373 31.4077 174.9255 10 A 4.8574 9.0484 127.2639 50.8032 23.8318 174.4602 11 C 4.7463 8.9713 115.5602 59.0472 33.1311 174.1993 12 G 5.0315 9.5952 111.8964 43.9750 0.0000 171.3089 13 L 5.1749 8.5845 121.1001 53.3747 44.5055 176.4752 14 I 4.0749 9.0736 128.9662 60.5223 36.9007 175.0168 15 I 4.8863 8.1115 127.8941 60.8872 39.0926 174.9694 16 F 5.9980 9.8700 120.6311 55.9417 41.5024 173.1546 17 R 4.4595 9.2174 124.6249 55.2896 31.1353 174.8081 18 R 4.5162 8.5025 128.0813 55.5234 30.6706 175.9002 19 C 3.8348 8.1936 123.9741 59.6609 28.6790 172.8834 20 L 3.7201 8.7805 121.2797 56.3554 41.8254 176.8766 21 I 4.5171 7.3221 112.1234 58.0241 40.7331 174.2974 22 P 4.3893 0.0000 0.0000 62.7620 31.1606 174.8052 23 K 4.2065 7.7287 116.8351 56.8380 34.0898 176.7399 24 V 3.9552 7.5640 115.9855 62.6051 31.9549 176.6310 25 D 4.4750 8.1409 114.7883 54.8908 38.8227 172.7656 26 N 4.6616 6.9891 112.3345 54.0264 41.3430 176.1696 27 N 4.7348 7.5979 116.9636 52.1261 40.4919 173.9675 28 A 4.5441 7.7837 128.2104 52.4556 20.9896 176.2465 29 I 4.6837 7.6650 114.7266 59.8338 39.7479 175.0171 30 E 4.8079 8.4699 123.5935 54.5599 34.2535 174.6719 31 F 6.3000 9.3509 118.1702 55.0563 43.2633 174.4164 32 L 3.3088 8.3161 125.5946 54.4938 42.6562 175.8681 33 L 4.9472 8.7947 125.3371 52.9139 46.4960 175.4028 34 L 5.2065 8.5893 121.8689 52.8201 44.4957 175.6957 35 Q 3.6597 8.5315 126.7263 54.9884 29.7384 175.3820 36 A 4.1748 8.1364 128.9396 52.2585 18.9484 177.6501 37 S 4.2738 8.5104 113.2394 58.6759 63.7498 173.2491 38 D 4.3476 7.7786 119.9959 55.2159 45.4386 176.4398 39 G 4.0405 8.3369 109.9890 47.4809 0.0000 175.2364 40 I 3.9768 8.5563 124.4841 60.7809 38.0307 174.7427 41 H 4.0370 7.7829 115.2926 57.5903 26.6928 174.6983 42 H 4.6610 7.9124 113.3614 55.7209 30.0492 173.7089 43 W 5.2399 8.9052 119.5801 55.3409 30.8043 175.5730 44 T 4.8968 8.8393 114.3787 59.2565 72.0873 171.7456 45 P 4.6214 0.0000 0.0000 61.8988 33.0345 173.9622 46 P 4.4843 0.0000 0.0000 63.1730 31.5054 175.2111 47 K 5.0474 8.7051 123.8901 55.0826 34.9848 175.5985 48 G 4.2006 9.1649 109.5347 44.9557 0.0000 171.0263 49 H 5.3209 8.6848 120.0929 54.1279 29.6270 173.9448 50 V 4.3711 8.0083 124.1345 60.9379 32.1081 175.7293 51 E 4.5426 8.3057 124.8929 53.7372 31.0382 174.7519 52 P 4.3542 0.0000 0.0000 65.7322 31.0309 177.4518 53 G 3.7515 7.5385 105.3522 46.0477 0.0000 173.3680 54 E 4.2971 8.0802 121.0897 54.9597 30.4223 175.0356 55 D 4.6173 8.1346 121.0993 53.4678 41.7982 176.2160 56 D 4.4800 8.3111 121.3529 57.2869 41.3080 178.0519 57 L 2.6923 7.2664 120.0109 57.5097 41.9051 178.5676 58 E 3.8762 8.5485 118.9722 60.0752 29.4755 179.4992 59 T 3.6677 7.5778 114.2921 66.8075 68.3492 176.4312 60 A 4.3748 7.7227 121.3286 54.7538 18.5724 179.8399 61 L 3.9259 8.4234 118.3207 58.0189 41.7851 179.4728 62 R 3.8713 8.9201 119.5375 59.5223 29.9414 178.3029 63 A 4.7038 7.9608 121.7645 54.8550 18.2734 179.7844 64 T 3.8890 7.6372 114.6468 66.9769 68.6812 176.9071 65 Q 4.2643 7.9270 120.0700 58.2737 28.5099 178.0504 66 E 4.1071 8.5710 120.6578 58.2295 29.8367 177.2574 67 E 4.6307 8.7519 116.3365 55.9525 30.2089 176.8772 68 A 4.4167 8.3366 119.8350 51.3902 23.7659 178.8226 69 G 3.7318 8.1589 103.4917 45.2924 0.0000 173.5150 70 I 4.2696 7.3966 121.4790 59.6401 38.7128 174.9603 71 E 4.6252 8.3696 122.3012 53.8086 32.1241 176.3450 72 A 3.9900 8.6392 121.4909 55.3969 18.2843 180.1553 73 G 4.0513 8.0604 102.5859 47.4265 0.0000 174.2213 74 Q 4.3984 8.8631 118.9346 55.8845 29.5487 174.4961 75 L 5.2795 7.1778 117.6072 53.6840 43.9472 176.3124 76 T 4.4665 8.2016 114.3598 62.1862 71.5385 173.0445 77 I 4.4751 8.2902 127.3937 61.0896 37.6196 176.1366 78 I 4.1911 9.5346 130.6385 61.2469 37.5793 176.0871 79 E 4.5926 8.9842 125.9790 56.2970 30.9563 176.0103 80 G 4.1904 9.1768 109.5400 45.0414 0.0000 173.3453 81 F 4.0674 7.4020 121.1010 55.8580 40.6993 174.6013 82 K 4.1474 7.2796 127.7967 55.2955 35.1117 174.5849 83 R 4.5272 7.9113 126.8205 54.8164 33.8753 173.1834 84 E 4.9380 8.5671 123.3702 54.5594 32.5984 174.8863 85 L 4.6230 9.0495 123.3112 53.4175 43.7819 175.0409 86 N 5.1309 8.5960 121.3599 50.8329 40.7713 173.6157 87 Y 4.8191 7.4388 119.1189 55.9495 41.1768 173.8988 88 V 4.4314 8.9367 122.0024 61.7927 31.7889 175.2319 89 A 4.1100 9.1916 132.1754 53.8903 17.6154 178.7007 90 R 4.1501 9.1271 114.5538 57.3619 30.7583 179.0445 91 N 4.5593 7.7946 111.9162 50.7712 37.9007 173.8020 92 K 4.5440 7.6053 119.6934 55.4826 35.9874 172.4381 93 P 4.6660 0.0000 0.0000 63.0306 32.2043 175.0642 94 K 4.7995 8.8815 125.4475 54.8895 34.3088 175.7861 95 T 4.4010 9.0097 123.1530 62.5772 69.7471 174.2392 96 V 4.2611 8.4962 128.5964 61.0083 33.1569 174.7473 97 I 4.0932 7.7555 129.8193 60.7632 38.7239 174.8015 98 Y 5.7745 8.3468 122.9034 55.0402 41.4789 174.6366 99 W 5.2051 9.0302 122.3968 54.7705 33.3903 174.4266 100 L 5.0396 8.7486 123.1892 54.6037 42.1168 175.7344 101 A 5.5859 9.6726 125.0648 48.9675 23.1617 174.2462 102 E 4.8471 8.0814 121.2537 53.1601 31.1352 175.3666 103 V 4.2920 8.2550 121.2338 61.1005 32.1835 177.8893 104 K 4.1459 9.2008 125.9582 58.5437 32.3311 176.9424 105 D 4.9197 7.3429 119.3193 52.3588 42.6515 176.7872 106 Y 4.0101 8.7172 125.1813 60.4155 38.9897 175.9709 107 D 4.5087 7.7592 116.5371 53.4564 41.4701 175.9662 108 V 3.6019 6.8171 116.7376 60.8756 31.6661 175.8282 109 E 3.9941 8.5858 119.5485 56.6737 29.8678 176.9255 110 I 4.2659 8.0345 121.6372 59.6723 38.0044 174.9090 111 R 4.4468 9.1350 126.1667 54.4361 30.5666 176.3649 112 L 4.7638 8.1968 123.9837 53.6203 43.7699 175.3148 113 S 4.8932 8.1035 115.0504 57.0950 66.1839 174.8418 114 H 4.0842 8.9707 116.3264 59.4897 28.4182 176.6926 115 E 4.1475 8.0673 116.3727 57.7799 29.6315 176.3265 116 H 5.0383 8.4270 116.0578 53.3654 32.4468 173.1497 117 Q 4.3483 8.6099 121.1276 56.7740 30.0291 174.8163 118 A 4.8926 7.2803 119.0232 51.1453 22.9521 174.0284 119 Y 5.5783 8.1242 116.4537 56.4540 41.8809 174.1005 120 R 4.5930 9.2795 116.5751 55.1256 35.3520 174.8386 121 W 5.3092 8.7612 120.2992 55.2540 31.7004 174.5866 122 L 4.8359 8.7696 123.7034 52.7393 46.3597 177.5014 123 G 3.8651 8.3188 110.1331 45.6534 0.0000 174.4722 124 L 4.2539 8.7752 120.1204 58.1263 42.2943 179.4871 125 E 3.9601 8.1855 117.1405 59.6938 29.3844 178.9626 126 E 3.8521 8.1158 119.1244 58.9221 29.7957 178.7849 127 A 4.1742 8.0338 120.7120 55.5717 18.0495 179.3223 128 C 4.2205 8.1131 114.6384 62.3622 28.4663 175.8462 129 Q 4.1438 7.9900 118.9261 59.2474 28.2510 178.4036 130 L 4.2532 8.1702 120.1480 56.8894 42.7191 178.6829 131 A 4.6997 8.1391 121.7512 51.7266 16.3147 178.7493 132 Q 3.7950 8.1530 122.7254 59.4848 29.3529 178.8568 133 F 3.8458 8.4437 117.9344 57.3438 39.7210 175.4333 134 K 3.8154 8.8305 125.1674 59.9360 31.9013 177.7499 135 E 4.0512 8.4368 117.9403 60.1290 29.3165 179.4987 136 M 4.0813 8.1074 117.6558 58.4365 32.1622 178.6017 137 K 3.8020 8.3369 118.4723 59.4639 32.0468 179.1859 138 A 3.9941 8.2120 120.6383 54.8789 18.6979 179.1654 139 A 4.1614 7.8149 119.3619 55.7688 18.3040 179.9787 140 L 3.4227 7.9872 117.0901 57.2436 41.6831 179.8640 141 Q 4.0308 7.6804 118.0175 59.1988 28.7014 178.5982 142 E 4.3126 9.2412 120.4922 59.0415 29.4186 179.4726 143 G 3.1426 7.8458 105.6983 48.1944 0.0000 175.3145 144 H 4.1627 8.1083 121.4523 58.3160 29.6187 177.2429 145 Q 4.0289 7.7903 120.7294 58.9654 29.1494 177.6749 146 F 4.2922 9.0849 122.0831 61.4950 39.6160 177.0254 147 L 3.8022 8.1454 118.6890 58.1637 41.1694 179.0574 148 C 4.1692 7.6906 116.6641 61.4200 31.5735 174.5202 149 S 4.3204 8.2395 113.3186 60.2707 62.6964 174.7265 150 I 4.3050 7.3812 125.6591 61.6761 35.7747 174.7020 151 E 4.5653 8.1163 121.4753 57.3441 33.9432 174.4159 152 A 4.4994 7.8554 123.8927 53.7631 26.3000 176.8102 *153 L 4.1880 7.9446 119.1479 54.5894 41.6978 178.2998 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.34 3.87 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 2 P 0.00 4.28 0.00 2.27 2.12 0.00 3.77 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 1.98 2.04 0.00 3 L 8.31 4.18 0.00 1.65 1.64 0.92 0.93 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 4 G 8.33 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 5 S 8.03 4.34 0.00 3.98 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 6 M 8.54 4.05 0.00 1.96 2.00 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 2.53 2.57 0.00 7 A 8.53 3.92 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 8 L 8.79 4.77 0.00 1.48 1.62 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.49 4.49 0.00 1.89 2.06 0.00 3.10 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 10 A 9.05 4.86 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.97 4.75 0.00 2.95 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.60 5.03 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 13 L 8.58 5.17 0.00 1.88 1.65 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.07 4.07 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.24 0.53 0.00 0.00 15 I 8.11 4.89 1.83 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 1.46 0.95 1.18 0.00 0.00 16 F 9.87 6.00 0.00 3.18 3.56 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 17 R 9.22 4.46 0.00 1.78 1.91 0.00 3.35 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 18 R 8.50 4.52 0.00 2.14 2.21 0.00 3.34 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 19 C 8.19 3.83 0.00 3.02 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 20 L 8.78 3.72 0.00 1.51 1.45 0.89 0.93 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 21 I 7.32 4.52 1.85 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 1.38 0.65 0.89 0.00 0.00 22 P 0.00 4.39 0.00 2.05 2.01 0.00 3.62 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 2.01 2.08 0.00 23 K 7.73 4.21 0.00 1.70 1.66 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.30 7.81 24 V 7.56 3.96 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 0.92 0.00 0.00 0.92 0.00 0.00 25 D 8.14 4.47 0.00 2.84 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 26 N 6.99 4.66 0.00 2.78 2.64 0.00 0.00 7.06 7.67 0.00 0.00 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 N 7.60 4.73 0.00 2.72 2.74 0.00 0.00 6.69 7.34 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 28 A 7.78 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.67 4.68 1.69 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.75 0.00 0.00 30 E 8.47 4.81 0.00 2.01 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 2.32 2.31 0.00 31 F 9.35 6.30 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.31 0.00 0.27 1.11 0.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.79 4.95 0.00 1.70 1.83 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.59 5.21 0.00 1.36 1.16 0.72 0.57 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 35 Q 8.53 3.66 0.00 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.49 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 36 A 8.14 4.17 0.97 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 0.00 0.00 37 S 8.51 4.27 0.00 3.96 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 38 D 7.78 4.35 0.00 2.63 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 39 G 8.34 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 0.00 0.00 0.00 40 I 8.56 3.98 1.97 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 1.55 0.93 1.25 0.00 0.00 41 H 7.78 4.04 0.00 3.28 3.25 0.00 5.71 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 42 H 7.91 4.66 0.00 3.26 3.74 0.00 5.42 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.91 5.24 0.00 3.18 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 44 T 8.84 4.90 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 1.11 0.00 0.00 45 P 0.00 4.62 0.00 2.28 2.00 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.49 0.00 46 P 0.00 4.48 0.00 2.18 2.24 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 47 K 8.71 5.05 0.00 1.75 1.88 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.48 7.81 48 G 9.16 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 0.00 0.00 0.00 0.00 49 H 8.68 5.32 0.00 3.17 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.01 4.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 51 E 8.31 4.54 0.00 2.07 1.84 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 2.32 2.22 0.00 52 P 0.00 4.35 0.00 2.21 2.20 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 53 G 7.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.30 0.00 2.03 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 2.28 2.23 0.00 55 D 8.13 4.62 0.00 2.80 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 56 D 8.31 4.48 0.00 2.91 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 57 L 7.27 2.69 0.00 0.27 1.20 0.21 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.55 3.88 0.00 2.04 1.96 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 2.29 2.29 0.00 59 T 7.58 3.67 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 1.31 0.00 0.00 60 A 7.72 4.37 1.68 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 0.00 0.00 61 L 8.42 3.93 0.00 1.80 1.69 0.80 0.71 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 62 R 8.92 3.87 0.00 1.85 1.93 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 63 A 7.96 4.70 1.60 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 64 T 7.64 3.89 4.51 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 1.27 0.00 0.00 65 Q 7.93 4.26 0.00 2.32 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 66 E 8.57 4.11 0.00 2.19 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 2.35 2.55 0.00 67 E 8.75 4.63 0.00 2.17 1.96 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 2.39 2.33 0.00 68 A 8.34 4.42 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.16 3.73 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 0.00 0.00 0.00 70 I 7.40 4.27 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.95 0.00 0.00 71 E 8.37 4.63 0.00 2.11 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 2.26 2.41 0.00 72 A 8.64 3.99 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 73 G 8.06 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.86 4.40 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.41 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 75 L 7.18 5.28 0.00 1.49 1.62 0.96 0.96 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 76 T 8.20 4.47 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 1.26 0.00 0.00 77 I 8.29 4.48 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.92 0.00 0.00 78 I 9.53 4.19 2.27 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 1.17 0.00 0.00 79 E 8.98 4.59 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 2.33 2.38 0.00 80 G 9.18 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 81 F 7.40 4.07 0.00 1.51 2.46 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 82 K 7.28 4.15 0.00 1.60 1.35 0.00 2.14 0.00 0.00 1.76 0.00 0.00 2.69 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.50 1.10 7.81 83 R 7.91 4.53 0.00 1.59 1.54 0.00 2.93 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 84 E 8.57 4.94 0.00 1.72 1.62 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 2.01 2.10 0.00 85 L 9.05 4.62 0.00 1.50 1.86 1.32 0.66 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 86 N 8.60 5.13 0.00 2.51 2.64 0.00 0.00 6.99 7.33 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 87 Y 7.44 4.82 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 88 V 8.94 4.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 89 A 9.19 4.11 1.33 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 90 R 9.13 4.15 0.00 1.95 2.09 0.00 3.09 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 91 N 7.79 4.56 0.00 2.80 2.87 0.00 0.00 5.74 7.14 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 92 K 7.61 4.54 0.00 1.87 1.65 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 93 P 0.00 4.67 0.00 2.10 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 94 K 8.88 4.80 0.00 1.37 1.51 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.49 7.81 95 T 9.01 4.40 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 96 V 8.50 4.26 1.69 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 0.40 0.00 0.00 0.72 0.00 0.00 97 I 7.76 4.09 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.12 -0.58 0.00 0.00 98 Y 8.35 5.77 0.00 2.92 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 99 W 9.03 5.21 0.00 3.44 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 0.00 100 L 8.75 5.04 0.00 1.85 1.72 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.67 5.59 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 0.00 102 E 8.08 4.85 0.00 1.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 103 V 8.25 4.29 2.11 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 1.07 0.00 0.00 0.92 0.00 0.00 104 K 9.20 4.15 0.00 1.68 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.55 7.81 105 D 7.34 4.92 0.00 2.88 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 0.00 106 Y 8.72 4.01 0.00 2.69 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 0.00 107 D 7.76 4.51 0.00 2.55 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 0.00 108 V 6.82 3.60 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 109 E 8.59 3.99 0.00 2.08 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 2.26 2.27 0.00 110 I 8.03 4.27 1.40 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 1.53 0.39 -0.31 0.00 0.00 111 R 9.13 4.45 0.00 1.64 1.88 0.00 3.14 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 112 L 8.20 4.76 0.00 1.56 1.66 1.16 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.10 4.89 0.00 3.78 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 0.00 114 H 8.97 4.08 0.00 3.12 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.07 4.15 0.00 1.82 1.81 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 2.28 2.32 0.00 116 H 8.43 5.04 0.00 3.04 3.11 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.61 4.35 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 118 A 7.28 4.89 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 0.00 119 Y 8.12 5.58 0.00 3.10 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 0.00 120 R 9.28 4.59 0.00 1.31 1.52 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 121 W 8.76 5.31 0.00 3.13 3.40 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 0.00 122 L 8.77 4.84 0.00 1.71 1.50 0.73 0.47 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 0.00 123 G 8.32 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 0.00 124 L 8.78 4.25 0.00 2.00 1.72 1.03 0.86 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 0.00 125 E 8.19 3.96 0.00 2.23 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 0.00 2.37 2.42 0.00 126 E 8.12 3.85 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 127 A 8.03 4.17 1.59 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 0.00 0.00 128 C 8.11 4.22 0.00 3.28 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 0.00 129 Q 7.99 4.14 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 130 L 8.17 4.25 0.00 1.44 1.50 0.48 -0.45 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 0.00 131 A 8.14 4.70 1.51 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 0.00 0.00 132 Q 8.15 3.79 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 133 F 8.44 3.85 0.00 3.05 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 0.00 134 K 8.83 3.82 0.00 1.81 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 135 E 8.44 4.05 0.00 2.25 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 0.00 2.63 2.60 0.00 136 M 8.11 4.08 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 137 K 8.34 3.80 0.00 2.00 1.90 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.56 7.81 138 A 8.21 3.99 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 0.00 139 A 7.81 4.16 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 0.00 140 L 7.99 3.42 0.00 1.49 1.07 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.68 4.03 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 142 E 9.24 4.31 0.00 2.42 2.37 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 2.41 2.57 0.00 143 G 7.85 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.11 4.16 0.00 3.44 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 7.79 4.03 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 146 F 9.08 4.29 0.00 3.54 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.15 3.80 0.00 1.51 1.52 -0.40 0.81 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 0.00 148 C 7.69 4.17 0.00 3.18 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 0.00 149 S 8.24 4.32 0.00 3.72 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.38 4.31 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.63 0.89 0.00 0.00 151 E 8.12 4.57 0.00 1.87 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 0.00 2.19 2.33 0.00 152 A 7.86 4.50 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 L 7.94 4.19 0.00 1.50 1.57 1.01 0.79 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 * Residues marked with a * may have inaccurate shift predictions.