NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 A 4.1775 8.2644 123.5821 52.1984 20.3534 177.1159 5 D 4.0924 8.2856 113.8877 55.5238 38.9710 171.1425 6 M 4.0355 8.3658 123.6720 57.3246 34.1402 174.9395 7 E 3.5334 8.2988 119.9097 56.6392 28.5049 176.9057 8 V 4.6580 8.3611 123.0763 58.4114 34.1503 172.7278 9 I 4.1882 7.8792 123.6620 58.5213 36.1319 173.2889 10 E 3.9614 9.3266 124.4767 58.4348 29.8577 177.0062 11 L 3.4761 7.1925 117.5661 55.3920 38.9977 172.8804 12 N 4.0679 8.7265 128.0206 53.2269 36.3729 171.8129 13 K 4.6777 8.2166 122.7573 54.7832 33.7567 175.9703 14 C 4.7791 8.8522 122.7534 58.1516 35.0135 175.1461 15 T 3.8965 8.2508 114.9893 64.5299 68.8342 175.1058 16 S 4.6310 7.5529 115.8391 55.7894 63.1097 172.9736 17 G 4.0045 7.5711 109.7416 46.8105 0.0000 171.4257 18 Q 5.0562 8.4655 121.7449 55.1606 32.5120 174.1936 19 S 5.1287 8.9133 120.7437 56.9032 66.8197 174.1122 20 F 4.7838 8.0495 111.7038 57.7510 39.1895 173.1401 21 E 4.3809 8.1249 122.1834 54.8610 31.5498 175.8583 22 V 4.6003 7.6812 122.9163 59.7990 31.1567 175.7237 23 I 3.7116 7.7311 119.2387 61.2830 36.1657 176.8029 24 L 4.6455 8.6697 127.8898 55.2612 44.2773 177.5199 25 K 4.5694 7.9767 118.7390 52.8727 35.3405 176.1751 26 P 4.1389 0.0000 0.0000 59.7132 32.7567 172.4394 27 P 3.7949 0.0000 0.0000 64.5712 30.5620 175.6438 28 S 4.2772 9.9764 122.1835 58.9972 63.9013 173.4317 *29 F 4.1595 9.1274 127.6777 55.9148 33.7163 176.6150 30 D 4.7842 8.6683 119.8213 51.9663 44.0016 173.7584 *45 P 4.4141 0.0000 0.0000 64.5437 32.8439 177.7766 46 S 4.2524 8.2599 113.4552 58.2125 67.1627 173.6432 47 L 3.6974 8.1360 129.1747 53.1065 39.5816 175.5131 48 E 3.9770 9.2436 125.4931 58.5658 31.4490 180.3433 49 E 3.1798 8.6210 116.6898 57.3690 31.1784 177.7303 50 I 4.3759 8.7754 117.9833 59.2809 34.0987 177.0825 51 Q 4.6572 8.1388 121.5077 55.3819 29.4142 178.3982 52 K 4.0071 7.5575 120.3930 59.1336 32.2989 178.6293 53 K 4.1039 7.9277 118.6668 58.2668 31.8077 178.3016 54 L 4.0264 7.4011 120.5541 57.8908 41.9973 177.9219 55 E 3.9402 7.9088 117.3520 57.3602 29.5939 178.5193 56 A 3.9086 7.6667 121.0634 55.2421 18.3155 178.8730 57 A 3.8927 8.0631 117.1645 55.6354 18.3793 178.5820 58 E 3.9737 7.8162 116.3627 59.9888 29.7702 178.6486 59 E 4.0673 8.2441 118.9367 59.4727 29.8166 178.4151 60 R 4.2248 8.5249 114.2777 57.0648 29.9133 178.1815 61 R 4.4631 7.8856 118.0900 57.6051 30.7633 178.4963 62 K 4.0629 7.8290 118.8235 59.2069 31.6875 178.2705 63 Y 4.0764 8.3364 119.2366 60.6384 39.0409 177.5260 64 Q 3.7843 7.5826 119.3344 58.5290 30.1308 178.5313 65 E 4.2206 8.2168 119.9238 58.2403 29.7727 177.8143 66 A 3.9728 7.5770 115.9849 52.4724 18.2759 176.9938 67 E 3.7280 8.2969 123.6925 57.6251 29.8051 178.1956 68 L 3.7964 8.2704 124.1672 56.5955 41.8120 179.9132 69 L 4.0280 7.7385 120.0955 57.7928 42.4083 177.5505 70 K 4.5814 7.9545 120.2055 55.4571 30.9274 175.7627 71 H 4.7744 7.6925 117.4339 55.3360 36.3479 174.2153 72 L 4.4787 8.9447 119.6781 55.5699 43.0494 177.4978 73 A 4.1686 7.8946 118.9861 54.3201 18.3343 178.6024 74 E 4.0773 8.1896 120.7530 59.7318 29.8104 179.0374 75 K 4.1512 7.7134 121.9954 56.8822 32.1551 178.9741 76 R 5.0386 8.2613 120.0039 56.8461 28.1846 177.9394 77 E 3.8759 8.9928 127.0584 58.9188 30.1644 178.0204 78 H 4.5575 12.0000 121.2485 58.7181 30.0911 176.1335 79 E 3.9335 8.1992 120.7210 59.7608 29.3368 178.8529 80 R 3.9697 8.0186 117.4630 58.7087 30.0052 177.9255 81 E 3.9992 7.9689 121.3278 59.9158 29.8069 179.0931 82 V 3.8861 8.0516 119.7495 65.4252 31.8210 180.4391 83 I 4.1125 7.6326 118.8858 65.9793 35.3340 183.5704 84 Q 4.3253 7.7407 123.6442 59.0640 28.6010 178.4365 85 K 4.4475 8.1984 121.3505 57.1202 31.6919 179.2766 86 A 4.7458 7.6065 120.7990 54.4482 21.2249 179.2604 87 I 3.7985 7.9237 118.4315 65.1697 37.0408 179.1833 88 E 4.1672 8.8553 118.1554 59.6911 28.9700 179.4807 89 E 4.7274 8.0588 114.7250 57.2907 30.2253 176.8883 90 N 4.7037 8.1969 118.7342 56.1459 39.3944 176.4666 91 N 4.4092 8.1235 117.5525 56.1121 38.7858 176.8378 92 N 4.3581 8.2073 117.7345 56.3102 38.8735 176.7319 93 F 4.5380 7.7868 118.0694 60.3916 39.4566 176.9926 94 I 3.8305 7.5061 122.4225 64.1318 37.0701 178.4937 95 K 4.5503 7.8293 122.9080 57.5780 32.5883 179.9842 96 M 4.5800 7.6192 119.6698 57.5867 33.2339 176.1794 97 A 4.4957 6.8933 115.8021 51.8604 19.7343 178.1423 98 K 4.0011 8.0925 121.9263 59.4760 31.9696 178.2019 99 E 4.1914 8.0896 117.4152 57.8482 30.1898 178.1183 100 K 4.4257 7.2029 117.4475 55.1028 31.8723 182.5163 101 L 4.5968 7.5662 118.9945 57.1531 45.0710 178.2388 102 A 4.0378 8.2889 123.1874 55.1796 18.4436 178.2958 103 Q 4.6479 7.5580 112.6282 54.9748 29.0320 179.1016 104 K 4.4570 7.8756 118.8651 59.3102 34.4591 178.0280 105 M 4.4791 8.2556 114.8194 55.8417 31.5557 176.3389 106 E 4.5492 8.2862 115.9566 57.0501 34.2968 176.7057 107 S 4.4530 7.9570 113.6669 56.8034 60.8727 171.4110 108 N 4.2435 6.9306 126.1419 54.1765 45.6497 174.9753 109 K 3.9879 7.9424 123.4470 59.1236 32.9970 179.1663 110 E 4.3120 8.0079 114.1137 58.1162 30.4552 182.9073 111 N 4.6343 7.9559 115.2086 55.0309 39.1286 175.0216 112 R 4.5136 7.9576 114.9574 58.5933 32.8305 176.9096 113 E 3.6566 8.0022 114.5385 58.3815 29.5081 177.3386 114 A 4.8028 7.9288 120.6779 52.0934 19.7944 176.1414 115 H 4.9034 8.1189 122.1742 58.2601 32.3991 176.1965 116 L 4.1423 9.1041 123.7562 58.9448 40.8449 183.0007 117 A 4.3820 7.9697 118.8594 54.0608 18.0574 179.0655 118 A 4.0644 7.5865 118.2435 54.6863 18.0125 178.5802 119 M 4.0522 8.0335 115.5096 56.7439 32.4512 176.9440 120 L 4.2704 7.6296 117.4854 55.7126 42.3360 176.8564 121 E 4.3575 7.4691 118.1623 56.9656 29.9616 177.5172 122 R 4.1604 7.6379 117.9298 59.0128 30.3478 178.2058 123 L 4.2670 7.4810 117.7155 56.8173 42.2187 178.5622 124 Q 4.2005 7.8847 114.3687 56.2786 28.1099 175.7302 125 E 4.4216 8.2454 118.4231 57.7608 30.4190 177.5305 126 K 4.4323 7.9778 116.0669 57.1561 31.8963 177.0699 127 D 4.8321 7.9252 119.7073 56.9142 42.0286 178.5653 128 K 4.5874 7.7694 120.1930 57.2945 31.9936 178.7332 129 H 4.9583 7.9591 120.3674 58.1915 31.4460 175.6522 130 A 3.9120 7.4887 124.5016 55.6614 18.6218 179.8180 131 E 4.1238 8.4580 119.3490 61.9882 29.6585 181.5697 132 E 4.3193 8.1805 117.7095 59.9978 29.7360 179.6701 133 V 4.5429 7.4646 108.0725 61.5712 32.5783 176.8138 134 R 4.2857 7.9934 122.6413 57.5566 30.2619 178.5269 135 K 4.2037 7.8216 117.4700 56.9479 32.4855 183.6429 136 N 4.6150 7.9314 116.8555 57.6689 38.6217 177.7601 137 K 4.1412 8.0284 127.3940 60.1254 31.7531 181.9962 138 E 4.4773 7.9497 119.6931 60.0519 29.9211 180.3004 139 L 4.9965 7.8468 123.7389 57.1970 43.1824 184.2529 140 K 4.7608 7.7449 123.8153 53.9437 33.0361 179.1489 141 E 4.3670 8.2313 120.0321 55.5839 30.0468 176.6099 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 *4 A 8.26 4.18 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 5 D 8.29 4.09 0.00 2.81 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 6 M 8.37 4.04 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 7 E 8.30 3.53 0.00 2.11 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 2.14 1.85 0.00 8 V 8.36 4.66 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 0.91 0.00 0.00 0.93 0.00 0.00 9 I 7.88 4.19 1.87 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 1.18 0.54 0.91 0.00 0.00 10 E 9.33 3.96 0.00 1.92 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 0.00 2.29 2.36 0.00 11 L 7.19 3.48 0.00 1.83 1.73 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.73 4.07 0.00 2.97 2.92 0.00 0.00 7.07 7.28 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 13 K 8.22 4.68 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 14 C 8.85 4.78 0.00 2.93 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 15 T 8.25 3.90 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 16 S 7.55 4.63 0.00 3.94 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 17 G 7.57 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 18 Q 8.47 5.06 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 19 S 8.91 5.13 0.00 3.36 3.55 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 20 F 8.05 4.78 0.00 3.25 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 21 E 8.12 4.38 0.00 2.04 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 2.24 2.20 0.00 22 V 7.68 4.60 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 0.78 0.00 0.00 1.08 0.00 0.00 23 I 7.73 3.71 1.87 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 1.30 0.69 0.91 0.00 0.00 24 L 8.67 4.65 0.00 1.68 1.65 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.98 4.57 0.00 1.76 1.51 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 P 0.00 4.14 0.00 2.04 2.00 0.00 3.68 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 2.03 2.17 0.00 27 P 0.00 3.79 0.00 2.03 1.89 0.00 3.66 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 2.04 2.14 0.00 28 S 9.98 4.28 0.00 3.94 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 *29 F 9.13 4.16 0.00 2.35 1.94 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 0.00 0.00 0.00 0.00 30 D 8.67 4.78 0.00 2.62 2.44 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 0.00 0.00 0.00 0.00 *45 P 0.00 4.41 0.00 2.19 2.03 0.00 3.68 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 1.88 1.97 0.00 46 S 8.26 4.25 0.00 3.58 3.72 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 47 L 8.14 3.70 0.00 1.83 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.24 3.98 0.00 1.90 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 2.29 2.36 0.00 49 E 8.62 3.18 0.00 2.16 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 0.00 2.32 2.36 0.00 50 I 8.78 4.38 1.87 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 1.47 0.80 0.91 0.00 0.00 51 Q 8.14 4.66 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 52 K 7.56 4.01 0.00 1.71 1.88 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.69 7.81 53 K 7.93 4.10 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.43 7.81 54 L 7.40 4.03 0.00 1.61 1.82 0.92 0.88 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 55 E 7.91 3.94 0.00 2.19 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 2.30 2.31 0.00 56 A 7.67 3.91 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 57 A 8.06 3.89 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 58 E 7.82 3.97 0.00 1.91 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 2.33 2.36 0.00 59 E 8.24 4.07 0.00 2.31 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 0.00 2.30 2.40 0.00 60 R 8.52 4.22 0.00 1.90 1.97 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 61 R 7.89 4.46 0.00 2.07 2.17 0.00 2.78 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 62 K 7.83 4.06 0.00 2.01 1.95 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.46 7.81 63 Y 8.34 4.08 0.00 2.92 2.94 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 0.00 0.00 0.00 0.00 64 Q 7.58 3.78 0.00 2.47 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 65 E 8.22 4.22 0.00 2.06 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 0.00 2.22 2.28 0.00 66 A 7.58 3.97 1.26 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 67 E 8.30 3.73 0.00 1.50 1.70 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 2.02 1.91 0.00 68 L 8.27 3.80 0.00 1.70 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.74 4.03 0.00 1.89 1.43 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.95 4.58 0.00 1.76 1.77 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.36 7.81 71 H 7.69 4.77 0.00 3.28 3.18 0.00 5.65 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 72 L 8.94 4.48 0.00 1.86 1.64 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.89 4.17 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 74 E 8.19 4.08 0.00 2.04 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 0.00 2.32 2.35 0.00 75 K 7.71 4.15 0.00 1.88 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.36 7.81 76 R 8.26 5.04 0.00 1.95 1.01 0.00 3.27 0.00 0.00 3.36 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 77 E 8.99 3.88 0.00 1.96 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 2.33 2.36 0.00 78 H 12.00 4.56 0.00 3.22 3.33 0.00 5.63 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 79 E 8.20 3.93 0.00 2.17 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 2.40 2.42 0.00 80 R 8.02 3.97 0.00 1.88 1.92 0.00 3.72 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 81 E 7.97 4.00 0.00 2.04 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 2.29 2.33 0.00 82 V 8.05 3.89 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 0.80 0.00 0.00 0.93 0.00 0.00 83 I 7.63 4.11 1.87 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 1.41 0.54 0.91 0.00 0.00 84 Q 7.74 4.33 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 85 K 8.20 4.45 0.00 1.86 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.32 7.81 86 A 7.61 4.75 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 87 I 7.92 3.80 1.88 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 1.39 0.82 0.92 0.00 0.00 88 E 8.86 4.17 0.00 2.02 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 2.26 2.19 0.00 89 E 8.06 4.73 0.00 2.19 2.30 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 2.35 2.40 0.00 90 N 8.20 4.70 0.00 2.98 3.01 0.00 0.00 7.14 6.29 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 91 N 8.12 4.41 0.00 2.87 2.86 0.00 0.00 7.17 6.92 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 92 N 8.21 4.36 0.00 2.97 2.93 0.00 0.00 6.82 8.13 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 93 F 7.79 4.54 0.00 3.08 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 94 I 7.51 3.83 1.97 0.00 0.00 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 1.35 0.28 0.86 0.00 0.00 95 K 7.83 4.55 0.00 1.88 1.68 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 96 M 7.62 4.58 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 97 A 6.89 4.50 1.10 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 98 K 8.09 4.00 0.00 1.90 1.75 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 99 E 8.09 4.19 0.00 2.14 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 0.00 2.53 2.22 0.00 100 K 7.20 4.43 0.00 1.87 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.24 7.81 101 L 7.57 4.60 0.00 1.61 1.67 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.29 4.04 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 0.00 103 Q 7.56 4.65 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 104 K 7.88 4.46 0.00 1.82 1.71 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.39 7.81 105 M 8.26 4.48 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 106 E 8.29 4.55 0.00 2.39 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 2.21 2.36 0.00 107 S 7.96 4.45 0.00 3.88 3.82 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 0.00 108 N 6.93 4.24 0.00 2.92 2.53 0.00 0.00 6.67 5.98 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 0.00 109 K 7.94 3.99 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.45 7.81 110 E 8.01 4.31 0.00 1.91 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 2.18 2.10 0.00 111 N 7.96 4.63 0.00 2.80 2.97 0.00 0.00 6.92 7.23 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 0.00 112 R 7.96 4.51 0.00 1.89 1.82 0.00 3.15 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 113 E 8.00 3.66 0.00 2.34 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 2.35 2.50 0.00 114 A 7.93 4.80 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 0.00 115 H 8.12 4.90 0.00 3.14 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.10 4.14 0.00 1.54 1.65 0.92 0.74 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 0.00 117 A 7.97 4.38 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 0.00 118 A 7.59 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.03 4.05 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 120 L 7.63 4.27 0.00 1.96 1.67 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.47 4.36 0.00 1.77 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 2.31 2.39 0.00 122 R 7.64 4.16 0.00 2.09 1.95 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 123 L 7.48 4.27 0.00 1.68 1.69 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.88 4.20 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 125 E 8.25 4.42 0.00 2.11 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 2.18 2.44 0.00 126 K 7.98 4.43 0.00 2.12 1.77 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.57 7.81 127 D 7.93 4.83 0.00 2.82 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 0.00 128 K 7.77 4.59 0.00 1.86 1.68 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.06 7.81 129 H 7.96 4.96 0.00 3.18 3.49 0.00 5.84 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 0.00 130 A 7.49 3.91 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 0.00 131 E 8.46 4.12 0.00 1.99 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 2.24 2.19 0.00 132 E 8.18 4.32 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 2.23 1.99 0.00 133 V 7.46 4.54 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 0.84 0.00 0.00 134 R 7.99 4.29 0.00 1.84 2.00 0.00 3.07 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 135 K 7.82 4.20 0.00 1.82 1.70 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 0.99 7.81 136 N 7.93 4.62 0.00 2.78 2.87 0.00 0.00 7.14 6.21 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 0.00 137 K 8.03 4.14 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 138 E 7.95 4.48 0.00 2.01 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 2.26 2.20 0.00 139 L 7.85 5.00 0.00 1.75 1.56 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.74 4.76 0.00 1.65 1.57 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.24 7.81 141 E 8.23 4.37 0.00 1.96 1.72 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 2.14 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.