NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1066 8.2493 123.5464 52.1420 20.4950 177.3066 *2 S 4.3877 7.9034 109.8076 57.5847 64.8685 173.7672 3 L 4.3539 7.8876 121.0605 55.0336 41.9328 176.5637 4 E 4.4341 8.7724 125.0487 55.6422 30.8838 176.1741 5 K 3.8949 8.7060 126.1899 56.0137 32.9834 175.7241 6 L 4.7655 8.3308 127.7147 52.8778 44.2365 176.3281 7 D 4.8481 8.1852 121.6237 51.5417 41.5733 177.4230 8 T 3.7696 8.4938 115.2757 66.8759 68.2641 176.3706 9 N 4.3024 8.1598 117.6259 56.9744 38.5503 177.4539 10 T 3.7908 8.7190 117.1530 66.3571 68.4776 176.3937 11 F 3.6526 8.4024 123.0150 61.4904 39.3312 177.1769 12 E 4.0432 8.5792 118.1088 59.3327 29.0523 179.1504 13 Q 3.9267 7.8974 119.6319 59.0046 29.0634 178.3413 14 L 3.8310 7.8517 120.1980 57.8658 41.5815 179.5446 15 I 3.3410 6.9877 119.5150 63.6071 36.7140 177.6106 16 Y 4.5211 7.1659 115.5141 60.2007 38.6392 177.0645 17 D 4.5149 8.1069 117.6162 56.2198 41.1355 176.6171 18 E 4.4203 7.7091 116.7732 54.7338 31.0939 176.0064 19 G 3.9167 8.1570 105.7176 46.5821 0.0000 172.9443 20 K 4.1056 7.9091 120.4272 56.5625 32.8839 176.0837 21 A 4.6314 8.5890 129.0889 51.8446 19.7282 175.9717 22 C 3.5748 8.5210 116.6670 57.3200 33.8438 172.5935 23 L 4.8631 8.1097 118.9578 54.1363 43.1261 176.2018 24 V 5.1741 8.4798 120.3546 60.4771 35.4902 173.1402 *26 F 4.7422 8.4814 116.5658 57.9038 40.6096 174.4622 27 S 4.9265 9.1954 117.6476 57.3636 66.6081 171.9395 28 R 4.9314 8.1660 119.9090 54.4751 32.9407 174.7686 29 K 4.1266 8.6523 122.6452 57.3095 33.0214 176.4227 30 N 4.0709 8.5640 116.0719 55.0555 36.0891 175.4125 31 C 4.6834 7.5971 117.2989 57.5253 33.4606 171.9322 32 H 4.1083 8.8155 128.2323 59.5315 29.5357 177.1368 33 V 3.5992 7.7493 119.3774 66.1251 31.4394 177.3133 34 C 4.0098 8.1635 116.0315 63.2886 27.7594 176.1570 35 Q 3.9664 7.9362 117.9933 58.5961 27.2588 178.5386 36 K 4.1542 7.5873 118.5150 58.6794 32.3152 179.3875 37 V 3.9174 7.6828 118.7068 65.8507 31.4256 177.9484 38 T 3.8329 7.9808 115.6893 66.5660 68.3702 174.7233 39 P 4.5416 0.0000 0.0000 64.6672 31.3167 178.8485 40 V 3.5700 7.3010 117.5333 66.1426 31.4555 178.0693 41 L 4.2315 7.9136 118.5192 57.9411 41.1011 179.4574 42 E 3.8684 8.5905 118.9323 59.2635 29.1607 178.9955 43 E 4.0234 7.9356 118.3175 59.2597 30.0423 178.4977 44 L 4.2127 7.9417 118.9870 57.7534 41.6359 179.1225 45 R 2.6342 7.7454 118.7330 59.4400 29.5564 178.0665 46 L 3.8408 6.9624 117.2577 58.1621 41.7250 178.7613 47 N 4.3667 8.3740 113.7911 53.4322 39.0074 174.5681 48 Y 4.7877 7.3943 118.1108 55.5904 41.3999 175.5261 49 E 4.2879 8.6538 122.0906 56.2585 30.2317 178.1175 50 E 4.2059 8.7375 120.3377 58.9128 29.7240 178.7829 51 S 4.1677 8.2876 112.8685 60.4128 63.0159 173.6810 52 F 4.7665 8.2392 123.7608 56.2507 39.9625 175.9102 53 G 3.4537 8.4826 114.8717 45.9646 0.0000 172.0620 54 F 4.8773 8.1190 120.8890 55.7195 41.5667 173.6401 55 Y 5.3175 8.7726 121.1701 56.2387 42.2624 174.3653 56 Y 4.9199 9.1833 118.3231 55.4438 42.2885 174.2237 57 V 4.2480 7.9831 119.2043 60.9681 35.3101 173.5619 58 D 5.1488 8.3255 127.3387 53.4272 41.4601 177.2183 59 V 3.8867 8.8985 120.9457 64.0549 31.9308 178.7476 60 E 4.0776 8.2987 119.5559 59.0216 29.5409 178.2360 61 E 4.1724 8.1402 117.3516 57.8660 30.6164 178.0576 62 E 4.6320 8.4092 119.3080 54.8655 27.1462 176.8457 63 K 4.2654 7.6252 125.1765 59.5367 33.0227 177.7310 64 T 3.8768 7.8791 115.3739 66.4059 68.2212 176.2111 65 L 3.9325 7.8764 120.6684 58.1521 42.4156 178.3458 66 F 4.6320 8.6139 120.5494 61.7272 39.4687 177.0415 67 Q 3.8179 8.5152 117.8268 58.8327 28.1684 178.8469 68 R 3.7350 7.4237 118.6558 59.0538 30.0887 177.5967 69 F 4.3147 7.5519 114.0608 57.0008 40.1542 176.0654 70 S 3.4672 7.5808 113.5898 59.0580 62.2521 172.6406 71 L 4.0087 6.9698 120.8961 55.3643 42.4239 177.9099 72 K 4.2795 8.5985 122.9715 57.7598 31.6868 176.9971 73 G 4.1202 9.0701 109.9310 45.7338 0.0000 171.5598 74 V 4.5849 7.8292 113.3921 58.3480 34.8086 173.9550 75 P 4.9386 0.0000 0.0000 62.9914 32.9466 174.9318 76 Q 4.9471 8.5998 118.9491 54.3244 32.8842 174.6856 77 I 4.7618 8.4699 122.7643 59.6190 39.9637 174.3924 78 L 5.2490 9.0647 127.1375 53.1123 44.3781 174.9972 79 Y 5.0488 8.8034 119.8809 56.3113 41.0550 174.8890 80 F 5.2845 8.9793 121.1315 56.0911 44.0387 173.9440 81 K 4.6020 9.3575 118.1164 57.3362 35.4009 174.8685 82 D 4.5152 10.1368 124.5534 55.3417 38.9648 175.1108 83 G 4.2747 8.5184 105.1109 45.0644 0.0000 174.1505 84 E 4.5421 8.6960 120.0402 55.3904 30.7659 174.9226 85 Y 4.7926 8.6173 123.0083 56.2588 39.1127 175.5560 86 K 4.0550 9.4691 128.4146 57.1651 32.8853 177.6514 87 G 3.8911 6.6618 104.9639 43.7645 0.0000 170.4937 88 K 5.4051 7.8066 117.5359 55.8115 34.1858 174.7874 *90 A 4.1570 8.4496 120.4014 53.5589 19.8387 178.6974 91 G 3.8507 9.2035 110.5922 44.6629 0.0000 172.4922 92 D 4.4248 8.7021 118.6673 54.6619 41.6728 177.1180 93 V 4.7089 8.1253 118.4076 59.3092 34.9346 175.5800 94 E 4.5622 9.8629 123.5165 55.2031 32.0857 177.6304 95 D 4.4340 8.5469 121.2493 56.8256 39.4161 178.3536 96 D 4.3199 8.0821 118.9596 56.8576 41.0485 177.8795 97 E 3.9339 8.0905 118.1790 59.3148 29.6488 178.9451 98 V 3.8712 7.1749 117.5368 65.5466 31.9670 177.2016 99 E 4.2443 8.4199 118.5565 59.6681 29.4280 181.0103 100 Q 4.1135 7.9826 117.2867 56.5796 29.2155 178.1142 *102 I 3.8558 7.7941 120.1624 60.7173 39.0834 177.9107 103 A 4.0074 7.9736 120.6849 55.3140 17.9449 179.1509 104 D 4.3972 8.1375 117.3985 57.3449 40.6403 179.0974 105 V 3.6721 7.5905 117.3776 66.0123 31.7697 177.4703 106 L 4.3185 7.9125 116.2263 55.9750 41.6674 177.3906 107 E 4.3611 7.6793 121.6739 56.5440 30.0364 175.7307 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 0 A 8.25 4.11 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 *2 S 7.90 4.39 0.00 3.97 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 3 L 7.89 4.35 0.00 1.62 1.91 0.94 1.02 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 4 E 8.77 4.43 0.00 2.26 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 2.41 2.34 0.00 5 K 8.71 3.89 0.00 1.47 1.51 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.03 0.37 7.81 6 L 8.33 4.77 0.00 1.36 1.40 0.44 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.19 4.85 0.00 2.88 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 8 T 8.49 3.77 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 1.24 0.00 0.00 9 N 8.16 4.30 0.00 2.74 2.86 0.00 0.00 7.09 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.72 3.79 4.13 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 1.05 0.00 0.00 11 F 8.40 3.65 0.00 2.91 3.10 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 12 E 8.58 4.04 0.00 2.17 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 2.95 2.74 0.00 13 Q 7.90 3.93 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 14 L 7.85 3.83 0.00 1.22 1.35 0.34 0.89 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 15 I 6.99 3.34 0.56 0.00 0.00 -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 0.70 0.39 -0.42 0.00 0.00 16 Y 7.17 4.52 0.00 3.10 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 17 D 8.11 4.51 0.00 2.88 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 18 E 7.71 4.42 0.00 1.88 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 0.00 2.18 2.19 0.00 19 G 8.16 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 20 K 7.91 4.11 0.00 1.73 1.62 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.40 7.81 21 A 8.59 4.63 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 22 C 8.52 3.57 0.00 2.91 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 23 L 8.11 4.86 0.00 0.90 1.00 0.69 0.29 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 24 V 8.48 5.17 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 1.21 0.00 0.00 1.07 0.00 0.00 *26 F 8.48 4.74 0.00 3.21 3.10 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 27 S 9.20 4.93 0.00 3.85 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 28 R 8.17 4.93 0.00 1.73 1.69 0.00 3.25 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 29 K 8.65 4.13 0.00 1.79 1.73 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.61 7.81 30 N 8.56 4.07 0.00 2.83 2.87 0.00 0.00 6.70 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.60 4.68 0.00 3.00 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 32 H 8.82 4.11 0.00 3.27 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.75 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 34 C 8.16 4.01 0.00 3.16 2.95 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 35 Q 7.94 3.97 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 36 K 7.59 4.15 0.00 1.97 1.82 0.00 1.54 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.32 7.81 37 V 7.68 3.92 2.09 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 1.07 0.00 0.00 1.03 0.00 0.00 38 T 7.98 3.83 4.18 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 1.17 0.00 0.00 39 P 0.00 4.54 0.00 2.15 2.08 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 40 V 7.30 3.57 2.28 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 1.10 0.00 0.00 1.00 0.00 0.00 41 L 7.91 4.23 0.00 1.98 2.02 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.59 3.87 0.00 1.96 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 2.29 2.44 0.00 43 E 7.94 4.02 0.00 1.97 2.23 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 2.33 2.34 0.00 44 L 7.94 4.21 0.00 2.24 2.02 1.04 0.98 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 45 R 7.75 2.63 0.00 1.60 1.64 0.00 3.08 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 46 L 6.96 3.84 0.00 1.92 1.69 0.93 1.00 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 47 N 8.37 4.37 0.00 2.20 2.40 0.00 0.00 6.82 7.40 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 48 Y 7.39 4.79 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.65 4.29 0.00 2.14 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 2.44 2.38 0.00 50 E 8.74 4.21 0.00 2.00 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 2.27 0.00 51 S 8.29 4.17 0.00 4.07 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 52 F 8.24 4.77 0.00 3.16 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 53 G 8.48 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 54 F 8.12 4.88 0.00 2.66 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 55 Y 8.77 5.32 0.00 2.98 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 56 Y 9.18 4.92 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.98 4.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.58 0.00 0.00 58 D 8.33 5.15 0.00 2.79 2.47 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 59 V 8.90 3.89 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 0.38 0.00 0.00 0.66 0.00 0.00 60 E 8.30 4.08 0.00 2.13 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 2.27 2.32 0.00 61 E 8.14 4.17 0.00 2.03 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 2.32 2.49 0.00 62 E 8.41 4.63 0.00 1.85 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 2.11 2.27 0.00 63 K 7.63 4.27 0.00 1.90 1.85 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 64 T 7.88 3.88 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 1.20 0.00 0.00 65 L 7.88 3.93 0.00 1.57 1.97 0.46 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.61 4.63 0.00 3.38 3.36 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 67 Q 8.52 3.82 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 68 R 7.42 3.73 0.00 1.78 1.78 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.37 0.00 69 F 7.55 4.31 0.00 2.86 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 70 S 7.58 3.47 0.00 4.00 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 71 L 6.97 4.01 0.00 1.38 1.65 0.54 0.96 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 72 K 8.60 4.28 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 73 G 9.07 4.12 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 0.00 0.00 0.00 74 V 7.83 4.58 2.09 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 0.69 0.00 0.00 0.92 0.00 0.00 75 P 0.00 4.94 0.00 2.17 2.20 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 76 Q 8.60 4.95 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 77 I 8.47 4.76 1.94 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 1.37 0.76 0.54 0.00 0.00 78 L 9.06 5.25 0.00 1.66 1.05 0.71 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.80 5.05 0.00 2.73 2.83 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 80 F 8.98 5.28 0.00 2.80 2.83 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 81 K 9.36 4.60 0.00 1.86 1.67 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 82 D 10.14 4.52 0.00 2.89 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 83 G 8.52 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 0.00 0.00 0.00 0.00 84 E 8.70 4.54 0.00 2.23 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 2.39 2.33 0.00 85 Y 8.62 4.79 0.00 3.30 3.10 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 86 K 9.47 4.06 0.00 1.85 1.80 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.59 7.81 87 G 6.66 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 88 K 7.81 5.41 0.00 2.04 1.94 0.00 1.28 0.00 0.00 2.53 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 *90 A 8.45 4.16 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 91 G 9.20 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 92 D 8.70 4.42 0.00 2.65 2.62 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 0.00 0.00 0.00 93 V 8.13 4.71 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 0.90 0.00 0.00 0.99 0.00 0.00 94 E 9.86 4.56 0.00 2.14 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 2.29 2.36 0.00 95 D 8.55 4.43 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.08 4.32 0.00 2.82 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 97 E 8.09 3.93 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 2.32 2.47 0.00 98 V 7.17 3.87 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 99 E 8.42 4.24 0.00 2.17 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 0.00 2.56 2.57 0.00 100 Q 7.98 4.11 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 *102 I 7.79 3.86 1.67 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 -0.43 0.00 0.00 103 A 7.97 4.01 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 0.00 104 D 8.14 4.40 0.00 2.61 2.66 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 0.00 105 V 7.59 3.67 2.34 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 1.08 0.00 0.00 0.92 0.00 0.00 106 L 7.91 4.32 0.00 1.77 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.68 4.36 0.00 2.17 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 0.00 2.43 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.