NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2730 8.1593 117.3738 63.5608 69.7499 174.0814 2 S 4.4351 8.3666 121.7871 55.9049 66.4238 173.2830 3 K 4.0177 9.1885 123.5471 59.6119 32.3359 179.6640 4 K 3.8518 8.0938 118.1940 59.6455 31.8443 178.9647 5 K 4.0418 7.6382 117.6348 58.6234 32.1300 177.8138 6 R 4.4045 7.5906 116.0162 56.6658 30.8999 177.7510 7 Q 4.0880 8.0734 119.1608 57.1699 28.5001 176.3553 8 R 4.1357 7.4721 119.4248 57.7632 30.2952 176.6520 9 G 4.0808 9.0703 111.7928 45.3735 0.0000 174.3472 10 S 4.1488 7.9064 113.3181 58.8922 63.3762 174.2882 11 R 4.1780 7.9833 124.6727 56.9219 29.2844 176.4935 12 T 4.3003 7.6270 104.8239 61.1972 69.7296 174.1023 13 H 4.4409 8.4726 118.0062 56.0301 26.8289 175.7675 14 G 3.9327 8.4132 104.4680 45.8707 0.0000 174.8943 15 G 3.7429 8.4598 108.1213 45.8065 0.0000 176.0573 16 G 3.8505 7.9529 106.5297 44.5085 0.0000 173.0348 17 S 4.1492 8.6383 115.1566 59.0387 62.7216 175.3856 18 H 4.4320 8.8863 120.0970 56.7684 28.1948 175.8301 19 K 4.1672 7.6878 118.9958 57.0487 32.5727 177.7274 20 N 4.3178 7.9653 117.0985 56.3744 38.6282 177.2914 21 R 4.2625 7.4871 120.3719 55.3429 29.3688 177.6755 22 R 4.6354 7.4860 124.8203 56.2384 31.5638 178.6900 23 G 4.0382 8.4480 117.7686 45.4271 0.0000 173.1428 24 A 4.3584 8.6622 121.9967 53.9834 18.4979 179.8352 25 G 3.5585 8.0308 104.5504 47.7970 0.0000 175.0052 26 H 4.5466 8.1274 118.5687 57.7870 29.8679 175.8288 27 R 4.4346 7.4656 117.2522 55.6130 30.7569 175.5898 28 G 3.8949 8.8883 105.2619 47.0090 0.0000 174.1745 29 G 4.0984 8.1141 105.7657 44.0416 0.0000 174.6310 30 R 4.2756 8.5833 118.5573 56.3075 32.0713 177.1648 31 G 3.9157 8.1409 109.7595 47.5346 0.0000 173.9923 32 D 4.7793 8.4746 119.4753 53.9818 41.2552 175.8847 33 A 4.0496 7.4165 122.7548 53.6253 18.9574 178.9517 34 G 3.7569 8.9758 110.0154 45.7214 0.0000 175.1357 35 R 3.9785 7.5928 115.2789 57.4125 29.1614 177.1648 36 D 5.1100 7.8546 115.5744 52.7009 41.6793 175.3269 37 K 4.4684 8.7555 118.6284 56.9712 32.2501 178.4747 38 H 4.5303 9.8799 124.1532 58.5468 27.9714 176.0463 39 E 4.7223 7.2728 117.5097 55.5189 30.2940 178.1347 40 F 4.7168 8.2030 115.2411 59.1373 38.4922 175.0839 41 H 3.7007 5.9353 115.8428 57.4069 28.6726 174.9719 42 N 4.2457 8.8036 118.9277 54.0269 36.4589 173.9711 43 H 4.5445 7.7799 115.1035 54.6512 29.7562 175.3373 44 E 4.1627 8.5190 122.3751 55.6037 29.9520 175.3417 45 P 4.5394 0.0000 0.0000 62.3211 32.2177 176.1918 46 L 4.1287 8.0238 119.1107 55.1919 42.2119 175.9677 47 G 4.1382 8.2188 106.2824 43.8724 0.0000 173.4478 48 K 4.5820 8.0888 119.0324 55.0641 34.1239 176.4320 49 S 4.4238 8.5417 113.7588 58.3098 65.4599 176.0810 50 G 4.0167 8.8957 117.1383 45.5644 0.0000 171.2341 51 F 4.9701 8.1229 113.0492 55.7072 40.9372 173.1740 52 K 4.3200 8.4004 118.6359 54.5831 35.3670 176.6617 53 R 4.5982 8.1901 121.5346 54.1212 31.6442 174.6781 54 P 4.3779 0.0000 0.0000 62.9301 31.6680 177.5238 55 Q 3.9716 8.8232 120.9355 58.4091 28.7428 177.5488 56 K 4.3978 7.9733 114.6739 56.6084 32.9090 176.7336 57 V 4.3146 7.9466 117.4058 62.8399 31.9877 174.8098 58 Q 4.6321 7.8351 116.8322 54.5441 30.3564 174.5215 59 E 4.5399 8.5983 120.9406 54.4460 31.8742 174.9843 60 E 4.4747 8.4513 124.0239 54.2833 31.5081 174.5021 61 A 3.9562 8.2440 128.8585 51.1129 20.1044 176.0361 62 A 4.4893 8.7867 123.8050 50.9537 20.3596 176.8273 63 T 5.3689 8.0377 112.1616 59.5842 72.1674 173.3533 64 I 4.3018 7.7772 118.7554 60.3304 41.4058 172.5266 65 D 5.2123 8.4957 128.2789 53.2035 42.4147 177.7642 66 V 3.5671 8.5639 116.0950 64.9184 31.5601 178.8348 67 R 3.8139 7.8080 118.1143 59.5621 29.5669 178.2057 68 E 3.8792 8.1319 118.0154 59.2689 30.0907 178.5148 69 I 3.7938 7.6520 119.2795 64.5725 36.8036 177.6686 70 D 4.3352 8.8028 119.2089 57.5575 40.8275 178.1640 71 E 4.1976 8.1345 117.6175 58.1028 29.5978 177.3595 72 N 4.9232 7.6519 115.5510 52.9015 39.1733 176.8507 73 V 3.2292 7.0128 111.6606 64.8431 31.8165 177.8594 74 T 4.0199 7.6311 108.7472 64.8011 68.6273 175.4892 75 L 4.0403 7.8270 120.6040 57.1106 41.5505 177.6686 76 L 4.3559 7.7608 120.4293 53.9891 40.9255 178.1716 77 A 4.1768 7.7037 122.7521 54.9403 19.1277 179.1522 78 A 4.2180 7.2877 114.5208 52.4154 18.0870 176.8174 79 D 4.6326 8.3717 118.9957 56.0478 44.8027 175.6863 80 D 4.1680 7.7141 121.7578 49.4002 41.7691 175.3142 81 V 4.3063 8.3478 120.5117 61.5234 33.7765 173.6357 82 A 4.9679 8.0479 134.8529 50.6046 20.9997 175.2336 83 E 3.7378 8.8602 111.6626 59.4351 29.8380 177.2317 *89 F 4.4814 7.7676 117.4225 57.3671 41.0301 173.6630 90 R 5.1641 8.3383 122.1228 54.8537 31.3231 175.9022 91 V 4.4403 8.7459 125.9976 60.0172 34.9021 174.4958 92 D 4.8836 8.7972 124.9746 52.6421 40.6732 176.2058 93 V 3.5687 8.4305 128.4719 66.1064 31.6692 178.4760 94 R 4.0275 7.9505 117.5901 59.2585 29.9118 177.1188 95 D 4.6434 8.3147 115.2034 54.7234 41.2976 176.7766 96 V 4.0927 8.0752 119.1280 64.1376 32.8629 176.6198 97 V 3.6677 7.5518 118.3129 62.8292 32.2203 175.3074 98 E 4.2492 8.5790 125.9690 56.4759 30.5409 176.3115 99 E 3.7755 8.6821 116.4231 57.6336 27.0474 175.1388 100 A 4.5689 7.5099 118.9099 52.6600 18.7613 178.4315 101 D 4.7856 8.0297 119.4923 57.5364 42.8281 177.9816 102 D 4.8804 8.0390 115.2810 53.2685 39.6321 175.4737 103 A 4.7430 7.3151 121.3381 51.0264 21.4311 177.2362 104 D 4.7098 8.3868 120.3146 56.1334 41.6321 175.9360 105 Y 4.7072 6.9451 115.4061 56.7047 40.4302 172.2595 106 V 4.8127 9.3824 121.2029 61.1049 34.1540 174.2695 107 K 4.8420 9.2445 128.6726 54.5905 35.7601 174.6253 108 V 4.4890 8.4946 127.7465 61.8239 33.0287 174.8348 109 L 4.8886 9.4695 128.8927 52.6388 44.5011 176.7130 110 G 4.5113 7.7880 106.2079 45.8184 0.0000 173.9545 111 A 4.4109 8.0257 122.4101 52.0269 20.6717 179.0070 112 G 3.9003 8.9639 108.9162 44.1795 0.0000 172.0818 113 Q 4.6063 8.2300 117.1558 54.0277 31.7835 175.5294 114 V 4.4694 7.9443 117.6351 61.8094 32.6317 174.4107 115 R 4.5180 8.3980 125.7156 56.0951 30.1804 176.2875 116 H 4.9867 7.7395 113.4557 54.2603 32.9210 172.4002 117 E 4.7725 8.6884 119.2792 54.8237 30.5764 175.5677 118 L 5.1336 8.6041 123.6576 53.1432 46.2219 175.8289 119 T 4.9489 9.1645 119.7479 62.0204 70.1401 172.5844 120 L 5.1101 8.5559 126.6878 53.4473 44.0928 175.8417 121 I 5.4399 8.8404 123.6515 58.9585 39.9326 174.5659 122 A 4.7898 8.5792 127.0779 50.7165 22.3242 176.3463 123 D 4.4692 8.5987 117.4891 56.6656 41.9696 176.1021 124 D 4.5637 7.0426 115.3280 53.7093 44.2837 174.5852 125 F 5.3976 8.9581 121.3801 55.7865 43.4328 174.3787 126 S 4.6457 8.6033 115.2130 57.3505 65.1337 174.7524 127 E 3.9965 9.1884 121.2632 59.9183 29.2921 179.5656 128 G 3.6845 8.1799 104.4455 47.4891 0.0000 175.2874 129 A 4.1032 7.9390 123.1249 55.1458 18.3735 179.9630 130 R 3.7205 7.9547 115.9919 59.5485 30.3858 178.5910 131 E 3.9465 8.1221 118.2921 59.7413 29.0234 180.0672 132 K 3.9464 7.9539 117.5020 59.3443 32.3928 179.5003 133 V 3.6270 7.6615 118.4271 66.0870 31.3929 177.9453 134 E 4.6894 8.0711 119.9506 59.0954 29.2515 179.4690 135 G 3.9962 7.7463 103.7160 46.8639 0.0000 174.0769 136 A 4.7905 7.6373 122.0349 51.2975 20.1309 176.5147 137 G 3.5436 8.8244 107.2799 48.6486 0.0000 173.9476 138 G 4.4585 7.8681 105.8419 43.9370 0.0000 172.2352 139 S 5.0682 9.1607 113.7325 56.4936 67.2438 173.2205 140 V 4.5175 8.0290 118.6847 61.1354 34.1857 173.9619 141 E 4.6114 9.5527 128.2152 54.4117 31.8089 174.9000 142 L 4.8871 8.5576 127.7031 54.5503 42.6604 176.5051 143 T 4.0772 8.5630 123.4119 63.9004 69.5978 175.2954 144 D 4.5374 8.7676 122.9621 57.1484 40.5599 178.8318 145 L 4.0447 7.9455 119.2478 58.0210 42.2690 178.7104 146 G 3.9485 7.5063 103.8312 45.9650 0.0000 173.3508 147 E 4.4463 8.4189 122.4986 57.1331 29.1989 176.8839 148 E 4.4584 7.8651 112.9891 56.5857 30.8206 177.7155 149 R 4.4444 7.8586 118.5919 53.1871 30.5840 175.9485 150 Q 4.3090 8.1390 121.8308 56.7819 29.3404 173.2625 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 T 8.16 4.27 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 2 S 8.37 4.44 0.00 4.09 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 3 K 9.19 4.02 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.09 3.85 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.64 4.04 0.00 1.68 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.59 4.40 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 7 Q 8.07 4.09 0.00 1.90 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 8 R 7.47 4.14 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 9.07 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.91 4.15 0.00 3.98 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 11 R 7.98 4.18 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.63 4.30 4.33 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 1.31 0.00 0.00 13 H 8.47 4.44 0.00 3.29 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.41 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 0.00 0.00 0.00 15 G 8.46 3.74 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 0.00 0.00 0.00 16 G 7.95 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 17 S 8.64 4.15 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.89 4.43 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.69 4.17 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.31 7.81 20 N 7.97 4.32 0.00 2.73 2.69 0.00 0.00 6.98 7.65 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 21 R 7.49 4.26 0.00 1.76 1.88 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 22 R 7.49 4.64 0.00 1.73 1.20 0.00 3.22 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 23 G 8.45 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 24 A 8.66 4.36 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 25 G 8.03 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 0.00 0.00 0.00 26 H 8.13 4.55 0.00 3.20 3.47 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.47 4.43 0.00 1.95 1.87 0.00 3.40 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 G 8.89 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 29 G 8.11 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 0.00 0.00 0.00 0.00 30 R 8.58 4.28 0.00 1.90 1.86 0.00 3.28 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 31 G 8.14 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 0.00 0.00 0.00 32 D 8.47 4.78 0.00 2.74 2.70 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 33 A 7.42 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.98 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 0.00 0.00 0.00 35 R 7.59 3.98 0.00 1.59 1.78 0.00 2.73 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 D 7.85 5.11 0.00 2.73 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 37 K 8.76 4.47 0.00 1.80 1.37 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.88 4.53 0.00 3.31 3.45 0.00 5.47 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 39 E 7.27 4.72 0.00 1.93 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 2.19 1.98 0.00 40 F 8.20 4.72 0.00 3.18 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 5.94 3.70 0.00 2.88 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.80 4.25 0.00 2.83 2.90 0.00 0.00 7.09 8.16 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 43 H 7.78 4.54 0.00 3.41 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.52 4.16 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 2.32 2.30 0.00 45 P 0.00 4.54 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 46 L 8.02 4.13 0.00 1.66 1.64 0.91 0.94 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 47 G 8.22 4.14 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 48 K 8.09 4.58 0.00 1.76 1.75 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.54 4.42 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.90 4.02 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 0.00 0.00 0.00 51 F 8.12 4.97 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.40 4.32 0.00 1.71 1.64 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.38 7.81 53 R 8.19 4.60 0.00 1.81 1.92 0.00 3.35 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 54 P 0.00 4.38 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 55 Q 8.82 3.97 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 K 7.97 4.40 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.42 7.81 57 V 7.95 4.31 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.84 4.63 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 59 E 8.60 4.54 0.00 1.99 1.89 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 2.29 2.31 0.00 60 E 8.45 4.47 0.00 1.94 1.71 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 2.15 2.19 0.00 61 A 8.24 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.79 4.49 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 63 T 8.04 5.37 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 1.17 0.00 0.00 64 I 7.78 4.30 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.93 0.00 0.00 65 D 8.50 5.21 0.00 2.64 2.76 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 66 V 8.56 3.57 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 0.95 0.00 0.00 0.99 0.00 0.00 67 R 7.81 3.81 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.13 3.88 0.00 1.98 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 0.00 2.30 2.33 0.00 69 I 7.65 3.79 2.01 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 1.52 0.76 0.90 0.00 0.00 70 D 8.80 4.34 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.13 4.20 0.00 1.98 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 2.34 2.66 0.00 72 N 7.65 4.92 0.00 2.68 2.71 0.00 0.00 6.81 7.44 0.00 0.00 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 V 7.01 3.23 0.68 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 0.32 0.00 0.00 0.48 0.00 0.00 74 T 7.63 4.02 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 1.23 0.00 0.00 75 L 7.83 4.04 0.00 1.74 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.76 4.36 0.00 1.85 1.61 0.87 0.69 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 77 A 7.70 4.18 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 78 A 7.29 4.22 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 79 D 8.37 4.63 0.00 2.72 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 D 7.71 4.17 0.00 3.01 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 81 V 8.35 4.31 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 0.47 0.00 0.00 1.02 0.00 0.00 82 A 8.05 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.86 3.74 0.00 2.05 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 0.00 2.27 2.36 0.00 *89 F 7.77 4.48 0.00 2.98 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.34 5.16 0.00 1.79 1.87 0.00 3.22 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 91 V 8.75 4.44 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 0.72 0.00 0.00 0.95 0.00 0.00 92 D 8.80 4.88 0.00 2.73 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 93 V 8.43 3.57 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 7.95 4.03 0.00 2.08 2.00 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 D 8.31 4.64 0.00 2.75 2.71 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 96 V 8.08 4.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.55 3.67 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 0.82 0.00 0.00 0.98 0.00 0.00 98 E 8.58 4.25 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 99 E 8.68 3.78 0.00 2.15 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 2.27 2.26 0.00 100 A 7.51 4.57 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 0.00 101 D 8.03 4.79 0.00 2.61 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 0.00 102 D 8.04 4.88 0.00 2.76 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 0.00 103 A 7.32 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.39 4.71 0.00 2.53 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 0.00 105 Y 6.95 4.71 0.00 3.08 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 0.00 106 V 9.38 4.81 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.24 4.84 0.00 2.01 1.64 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.56 7.81 108 V 8.49 4.49 1.76 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 1.01 0.00 0.00 0.67 0.00 0.00 109 L 9.47 4.89 0.00 1.80 1.58 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.79 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 0.00 0.00 0.00 0.00 111 A 8.03 4.41 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 0.00 112 G 8.96 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 0.00 113 Q 8.23 4.61 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 7.94 4.47 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 0.98 0.00 0.00 0.96 0.00 0.00 115 R 8.40 4.52 0.00 1.70 1.81 0.00 3.15 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 116 H 7.74 4.99 0.00 3.15 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.69 4.77 0.00 2.14 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 2.30 2.23 0.00 118 L 8.60 5.13 0.00 1.64 1.63 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.16 4.95 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 1.24 0.00 0.00 120 L 8.56 5.11 0.00 1.89 1.90 1.09 0.63 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 0.00 121 I 8.84 5.44 1.94 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 1.19 1.81 0.98 0.00 0.00 122 A 8.58 4.79 0.64 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 0.00 0.00 123 D 8.60 4.47 0.00 2.90 2.67 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 0.00 0.00 0.00 0.00 124 D 7.04 4.56 0.00 2.56 2.33 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 0.00 125 F 8.96 5.40 0.00 2.85 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 0.00 126 S 8.60 4.65 0.00 3.98 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 0.00 127 E 9.19 4.00 0.00 2.07 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 2.56 2.42 0.00 128 G 8.18 3.68 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 0.00 129 A 7.94 4.10 1.56 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 0.00 0.00 130 R 7.95 3.72 0.00 2.01 1.92 0.00 3.15 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 131 E 8.12 3.95 0.00 2.03 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 0.00 2.34 2.53 0.00 132 K 7.95 3.95 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.66 3.63 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 1.08 0.00 0.00 1.09 0.00 0.00 134 E 8.07 4.69 0.00 1.99 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 2.27 2.24 0.00 135 G 7.75 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 0.00 136 A 7.64 4.79 1.45 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 0.00 137 G 8.82 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 0.00 138 G 7.87 4.46 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 0.00 139 S 9.16 5.07 0.00 3.76 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 0.00 140 V 8.03 4.52 1.66 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 -0.53 0.00 0.00 0.21 0.00 0.00 141 E 9.55 4.61 0.00 1.95 1.87 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 2.22 2.21 0.00 142 L 8.56 4.89 0.00 1.71 1.63 1.21 1.10 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 0.00 143 T 8.56 4.08 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 1.23 0.00 0.00 144 D 8.77 4.54 0.00 2.69 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 0.00 145 L 7.95 4.04 0.00 1.65 1.84 0.97 1.01 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 0.00 146 G 7.51 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.42 4.45 0.00 2.13 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 2.33 2.49 0.00 148 E 7.87 4.46 0.00 1.81 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 2.17 2.48 0.00 149 R 7.86 4.44 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 150 Q 8.14 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.