NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7262 8.4093 119.2089 53.6326 40.4359 173.6572 4 T 4.6795 7.9137 105.0575 57.5085 71.6680 172.2395 5 T 4.5295 8.8648 114.6285 60.4221 72.9383 176.5734 6 Y 3.9424 8.4739 121.5514 60.8895 38.7409 178.2187 7 V 3.6719 8.0378 118.4785 66.2471 31.6704 177.6300 8 Q 4.0892 8.1892 117.5831 59.3006 28.5195 179.0387 9 E 4.0758 8.2039 119.4331 59.2929 29.4292 178.5466 10 Y 3.5450 7.9231 120.0402 61.1377 38.7941 178.2558 11 H 4.2616 8.4003 116.6192 58.5314 28.6056 177.7437 12 A 4.0020 7.9696 122.7205 55.3250 18.2574 179.7680 13 I 3.3314 7.5270 118.6056 64.2916 37.0286 178.8070 14 V 3.3126 7.6500 119.5140 65.7855 31.0228 177.5188 15 E 3.9021 7.8599 118.1553 59.2512 29.5498 178.8988 16 V 3.6532 7.4322 118.1393 66.1469 31.7304 178.1692 17 L 3.7668 8.0500 119.0048 57.4777 41.2974 179.3448 18 S 4.0850 8.4637 113.8003 61.3900 62.1938 176.4337 19 K 3.9965 7.8472 121.1170 59.4301 31.7837 178.6561 20 Y 4.2122 7.9474 119.2995 60.8559 38.8369 177.7874 21 N 4.0967 8.2645 117.2882 56.1386 38.5786 177.0216 22 E 3.9845 8.7880 121.0730 59.3735 29.7157 179.0873 23 G 3.7022 8.5136 106.2829 47.7153 0.0000 175.9141 24 G 3.5167 7.9920 107.9678 47.5013 0.0000 175.9040 25 K 4.0771 8.1646 122.1613 58.6563 32.0376 178.1863 26 K 4.2141 8.3378 116.1635 55.2988 33.2356 176.1665 27 A 3.7537 7.6190 122.0000 53.0469 16.5331 178.4328 28 D 4.5743 8.4592 120.8205 52.3424 42.9817 175.7363 29 S 4.1141 9.1756 122.9363 61.1446 63.2347 176.2890 30 T 3.8207 7.7218 117.3293 66.6879 68.1799 175.5924 31 I 3.8732 7.2508 118.3460 62.2649 36.8931 176.6392 *33 R 4.1275 8.0498 122.8225 55.8801 31.2457 175.7727 34 P 4.3524 0.0000 0.0000 64.9479 31.5271 177.1581 35 A 4.1144 8.1439 120.3540 53.3095 18.7958 176.6892 36 F 5.3017 7.8758 114.3893 55.1733 41.8023 175.5708 37 S 4.3879 8.9198 119.8291 58.0668 62.8181 175.3855 38 S 4.2436 8.7230 120.0791 61.2294 62.7768 175.0257 39 Q 4.3457 7.8540 117.4323 55.5824 28.9155 175.6564 40 A 5.1184 8.2260 121.4835 51.9121 19.7413 177.0971 41 T 4.9055 8.4680 109.2498 59.7260 72.7922 172.4766 42 I 4.9504 8.0687 122.5395 59.3250 41.1873 174.1722 43 F 5.3263 9.0999 126.7528 56.3935 43.7780 174.4462 44 G 3.5416 8.9839 107.5386 45.2848 0.0000 170.9776 45 V 4.8273 8.0368 119.1524 60.8911 33.9738 176.1726 46 D 4.8293 8.9136 127.5331 51.8088 40.9754 177.3989 47 V 3.6890 8.3372 117.8926 64.5865 31.1266 176.4900 48 D 4.6580 8.2876 118.4865 53.8264 40.6597 175.9372 49 N 4.2989 8.3528 115.1930 54.1131 36.7165 174.1702 50 K 4.5112 8.1174 117.5319 54.2747 33.8733 176.0459 51 L 4.4173 8.2875 123.9197 55.5566 42.6630 176.3534 52 T 4.7012 10.0775 120.1419 59.3586 70.8253 172.5290 53 G 3.6636 9.2881 116.3890 45.7803 0.0000 170.9884 54 G 3.5973 6.6312 110.6935 44.1120 0.0000 170.2920 55 P 4.4580 0.0000 0.0000 62.7392 32.1100 177.0893 56 I 3.1470 8.1075 121.7245 63.8506 37.5620 177.7926 57 Q 3.8362 7.9517 120.1724 59.3159 28.6791 178.8041 58 G 3.4462 7.8258 106.5035 47.3860 0.0000 175.4276 59 L 3.6390 7.3294 122.4383 57.9955 42.0979 179.0750 60 F 4.3813 7.3006 117.1286 60.7028 38.7898 177.2429 61 D 4.3372 8.2521 118.5581 57.3030 40.5505 178.9419 62 V 3.4922 7.4873 118.3401 66.0536 29.9296 177.9881 63 I 3.2013 7.6688 119.7077 64.4807 36.7170 178.0289 64 D 4.7208 7.9816 118.0601 56.0321 40.9360 177.5422 65 N 4.9179 8.2870 114.4302 52.7572 40.2336 175.1905 66 V 4.2575 7.8677 118.2650 64.2346 33.4632 176.1431 67 F 4.6043 7.5947 115.0463 57.6861 39.4333 174.0826 68 H 5.2139 8.2176 118.5629 53.0169 32.5888 171.9022 69 P 4.4229 0.0000 0.0000 63.7783 31.7648 177.1442 70 S 4.7564 9.2195 120.8926 55.4375 62.5814 172.8805 71 P 4.2016 0.0000 0.0000 65.4057 31.4290 178.3118 72 E 4.1238 8.0900 115.8627 57.0690 29.8501 176.5628 73 A 4.5102 7.7786 121.9888 51.6956 19.1712 177.1867 74 K 4.6288 9.0280 121.2151 54.4897 35.3543 175.1532 75 A 5.3798 8.8276 126.2445 50.0238 21.9367 175.2741 76 A 4.5443 8.9855 122.4643 50.3046 22.0868 175.7932 77 I 4.5491 8.6186 124.2256 60.4441 35.7653 175.5953 78 A 4.2534 8.8139 129.5895 54.7570 19.2563 177.7768 79 R 4.7071 7.7125 113.2913 55.4735 33.8127 174.0815 80 I 5.0840 8.5490 125.6299 59.8309 40.5435 174.1396 81 D 5.0984 9.3350 127.9312 52.7788 42.9428 175.6728 82 I 4.8762 8.5741 123.3789 59.5176 40.6922 175.3408 83 V 4.3005 8.9065 126.6429 61.6352 34.1557 176.2592 84 G 3.8720 8.4706 119.7291 47.3347 0.0000 173.7843 85 T 3.9855 8.7180 116.2401 61.4734 69.2893 173.2989 86 A 5.5534 8.3886 124.4531 50.6342 22.4104 175.1868 87 A 5.1038 9.2098 120.9294 50.6264 23.3481 175.1751 88 S 5.3213 9.1762 114.2353 56.5235 65.9729 172.8423 89 A 5.3225 9.2428 126.3990 50.2594 23.1310 174.6766 90 R 5.2241 9.0142 119.8998 54.6271 33.4337 174.5313 91 I 5.1950 8.9169 126.2681 59.7256 41.0694 173.8354 92 D 5.4966 9.0944 126.8291 52.9481 43.4137 175.5060 93 T 5.1551 8.9902 119.4606 61.9421 72.2428 172.5923 94 D 5.0473 9.2559 126.3078 52.9111 43.7223 176.2668 95 D 4.1450 8.3499 120.0482 55.7097 38.2378 174.3645 96 I 4.2542 8.0880 120.1991 59.8765 38.7883 175.1996 97 S 3.5241 9.6660 127.2289 59.5131 60.7610 173.8787 98 G 3.5880 8.2409 105.2660 45.1846 0.0000 173.3506 99 F 4.8229 7.7625 117.9719 55.2626 42.8402 174.2926 100 R 4.9552 8.0995 120.1239 54.7274 32.8031 174.1633 101 F 5.7031 9.2459 124.2019 56.0770 43.6758 173.9731 102 T 5.1169 9.0614 117.5191 62.0022 71.2360 172.9217 103 D 5.3610 9.3228 126.2368 52.4033 44.2610 175.0737 104 F 5.5124 8.8455 121.0239 55.7609 42.2658 174.3188 105 F 5.2877 9.7176 121.7398 55.7701 42.5885 173.7159 106 N 5.3902 9.2877 120.6948 51.7861 40.5979 174.0587 107 L 5.4296 9.2383 123.3721 52.9552 45.9467 175.5171 108 L 5.2952 8.9187 121.0120 52.9808 45.7243 176.0955 109 K 3.7635 8.1784 124.6831 54.9653 31.7603 175.3186 110 V 4.0643 8.5159 127.8363 61.8205 32.8306 175.8071 111 E 3.7221 9.7713 127.8104 57.5360 26.9434 175.7612 112 G 3.8612 8.3645 103.8862 45.2219 0.0000 173.7009 113 K 4.6015 7.8051 119.2357 53.8670 35.8527 175.8938 114 W 4.6875 8.8060 124.7289 57.1645 29.9611 175.5269 115 T 4.8141 9.0644 117.7416 60.5082 71.0614 172.5871 116 V 4.4322 8.7376 128.4448 62.8462 32.3961 176.6015 117 V 4.3699 8.9728 120.2558 61.8123 34.1395 175.5685 118 S 5.1235 7.9637 114.8560 56.7709 66.1142 172.4352 119 K 4.7799 9.1354 128.3594 54.4075 34.7952 174.7336 120 I 5.7383 8.8077 119.9796 58.5806 41.2554 173.5759 121 Y 5.3309 7.8010 119.1478 56.0655 41.2095 173.2943 122 H 4.9830 9.5675 120.6060 54.7706 32.9278 172.5077 123 T 4.8698 8.5303 122.3727 62.9527 69.1928 174.3618 124 H 4.6639 8.9419 124.9948 54.3401 29.8174 173.7916 125 P 4.3281 0.0000 0.0000 63.5938 32.0612 177.2342 126 S 4.0733 8.5070 113.6738 58.7000 62.1581 170.7883 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 3 N 8.41 4.73 0.00 2.69 2.89 0.00 0.00 6.79 6.82 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 4 T 7.91 4.68 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 1.27 0.00 0.00 5 T 8.86 4.53 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 1.30 0.00 0.00 6 Y 8.47 3.94 0.00 3.09 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 7 V 8.04 3.67 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 1.14 0.00 0.00 1.02 0.00 0.00 8 Q 8.19 4.09 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 9 E 8.20 4.08 0.00 1.83 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 2.60 2.62 0.00 10 Y 7.92 3.55 0.00 2.36 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 11 H 8.40 4.26 0.00 3.28 3.35 0.00 5.68 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 12 A 7.97 4.00 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 13 I 7.53 3.33 1.33 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 0.07 -0.36 0.45 0.00 0.00 14 V 7.65 3.31 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 0.83 0.00 0.00 0.18 0.00 0.00 15 E 7.86 3.90 0.00 2.25 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 0.00 2.33 2.20 0.00 16 V 7.43 3.65 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 0.84 0.00 0.00 1.03 0.00 0.00 17 L 8.05 3.77 0.00 1.47 1.46 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.46 4.08 0.00 3.92 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 19 K 7.85 4.00 0.00 1.96 2.05 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 20 Y 7.95 4.21 0.00 3.04 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 21 N 8.26 4.10 0.00 2.92 2.83 0.00 0.00 6.72 7.18 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 22 E 8.79 3.98 0.00 2.04 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 2.30 2.32 0.00 23 G 8.51 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.99 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.16 4.08 0.00 1.95 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.68 7.81 26 K 8.34 4.21 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.54 7.81 27 A 7.62 3.75 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 28 D 8.46 4.57 0.00 2.60 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 29 S 9.18 4.11 0.00 3.78 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 0.00 30 T 7.72 3.82 4.35 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 1.16 0.00 0.00 31 I 7.25 3.87 1.98 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 1.16 0.55 0.98 0.00 0.00 *33 R 8.05 4.13 0.00 1.22 1.71 0.00 3.06 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 34 P 0.00 4.35 0.00 2.09 2.12 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.14 4.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.88 5.30 0.00 3.29 3.04 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 37 S 8.92 4.39 0.00 3.91 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 38 S 8.72 4.24 0.00 4.06 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 39 Q 7.85 4.35 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 40 A 8.23 5.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.91 4.10 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 0.00 0.00 0.00 1.25 0.00 0.00 42 I 8.07 4.95 1.59 0.00 0.00 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 1.20 1.71 0.58 0.00 0.00 43 F 9.10 5.33 0.00 2.93 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 44 G 8.98 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 45 V 8.04 4.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 46 D 8.91 4.83 0.00 2.95 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 47 V 8.34 3.69 2.13 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.29 4.66 0.00 2.83 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 49 N 8.35 4.30 0.00 2.85 2.93 0.00 0.00 6.82 7.15 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 50 K 8.12 4.51 0.00 2.13 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 L 8.29 4.42 0.00 1.50 1.54 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.08 4.70 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 1.31 0.00 0.00 53 G 9.29 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 0.00 0.00 0.00 54 G 6.63 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 55 P 0.00 4.46 0.00 2.06 1.91 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 56 I 8.11 3.15 1.58 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.25 0.63 0.00 0.00 57 Q 7.95 3.84 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 58 G 7.83 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.33 3.64 0.00 1.34 1.16 0.65 0.55 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 60 F 7.30 4.38 0.00 3.13 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 61 D 8.25 4.34 0.00 2.78 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 62 V 7.49 3.49 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 0.75 0.00 0.00 0.84 0.00 0.00 63 I 7.67 3.20 1.93 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.84 0.00 0.00 64 D 7.98 4.72 0.00 2.71 2.72 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 65 N 8.29 4.92 0.00 2.76 2.85 0.00 0.00 6.74 7.20 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 66 V 7.87 4.26 2.40 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 1.07 0.00 0.00 1.00 0.00 0.00 67 F 7.59 4.60 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.22 5.21 0.00 3.05 3.16 0.00 5.68 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 69 P 0.00 4.42 0.00 1.95 2.04 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 70 S 9.22 4.76 0.00 3.70 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 71 P 0.00 4.20 0.00 2.17 2.20 0.00 3.82 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 1.98 2.00 0.00 72 E 8.09 4.12 0.00 1.97 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 2.30 2.23 0.00 73 A 7.78 4.51 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 74 K 9.03 4.63 0.00 1.68 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.50 7.81 75 A 8.83 5.38 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 76 A 8.99 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 77 I 8.62 4.55 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.85 0.00 0.00 78 A 8.81 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.71 4.71 0.00 1.96 1.84 0.00 3.43 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 80 I 8.55 5.08 2.02 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.66 0.00 0.00 81 D 9.33 5.10 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.57 4.88 1.86 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 0.85 0.50 0.88 0.00 0.00 83 V 8.91 4.30 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.47 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 85 T 8.72 3.99 4.10 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 0.00 0.00 0.00 1.12 0.00 0.00 86 A 8.39 5.55 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 87 A 9.21 5.10 0.79 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 0.00 0.00 88 S 9.18 5.32 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.24 5.32 1.14 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 90 R 9.01 5.22 0.00 2.19 1.89 0.00 3.26 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.27 0.00 91 I 8.92 5.19 2.20 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 1.12 0.00 0.00 92 D 9.09 5.50 0.00 2.71 2.61 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 93 T 8.99 5.16 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 94 D 9.26 5.05 0.00 2.57 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 95 D 8.35 4.15 0.00 2.85 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 96 I 8.09 4.25 1.99 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 1.45 1.77 1.32 0.00 0.00 97 S 9.67 3.52 0.00 3.01 3.48 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 0.00 0.00 0.00 98 G 8.24 3.59 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 0.00 99 F 7.76 4.82 0.00 2.73 1.73 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 0.00 100 R 8.10 4.96 0.00 1.77 1.68 0.00 3.26 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 101 F 9.25 5.70 0.00 3.09 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 0.00 102 T 9.06 5.12 4.27 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 0.88 0.00 0.00 103 D 9.32 5.36 0.00 2.79 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 0.00 0.00 0.00 104 F 8.85 5.51 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 9.72 5.29 0.00 2.89 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 0.00 106 N 9.29 5.39 0.00 2.69 2.80 0.00 0.00 6.59 6.55 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 0.00 107 L 9.24 5.43 0.00 1.70 1.85 0.88 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.92 5.30 0.00 1.58 1.48 0.95 0.86 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 0.00 109 K 8.18 3.76 0.00 0.79 0.90 0.00 1.23 0.00 0.00 1.23 0.00 0.00 2.55 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.72 0.21 7.81 110 V 8.52 4.06 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 0.98 0.00 0.00 0.93 0.00 0.00 111 E 9.77 3.72 0.00 2.06 1.93 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 2.19 2.24 0.00 112 G 8.36 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.81 4.60 0.00 1.57 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.51 7.81 114 W 8.81 4.69 0.00 3.11 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 0.00 115 T 9.06 4.81 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 1.27 0.00 0.00 116 V 8.74 4.43 1.65 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 1.31 0.00 0.00 0.56 0.00 0.00 117 V 8.97 4.37 2.15 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 0.68 0.00 0.00 1.05 0.00 0.00 118 S 7.96 5.12 0.00 3.92 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.14 4.78 0.00 1.67 1.49 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.00 0.21 7.81 120 I 8.81 5.74 1.91 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 1.00 0.73 1.00 0.00 0.00 121 Y 7.80 5.33 0.00 3.05 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 0.00 122 H 9.57 4.98 0.00 3.23 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.53 4.87 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 1.19 0.00 0.00 124 H 8.94 4.66 0.00 3.11 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.33 0.00 2.19 2.11 0.00 4.02 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 2.03 2.01 0.00 126 S 8.51 4.07 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.