NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2597 8.2549 119.6870 56.3663 31.3698 174.5034 3 H 5.1344 8.7573 119.0764 53.7100 31.8600 171.3461 4 I 4.6587 8.0951 121.1495 59.8081 39.8395 176.7211 5 S 4.5889 9.1988 120.9170 57.1278 65.4999 173.5562 6 P 4.3614 0.0000 0.0000 65.8941 31.0526 178.8093 7 E 4.0610 8.1315 115.9061 59.2552 29.6350 178.9140 8 E 3.9586 8.2324 119.6663 59.0970 29.5377 178.9207 9 L 3.9746 8.4672 120.7747 58.2057 42.1508 179.1526 10 I 3.6990 7.8041 119.4037 64.3723 37.0021 178.1197 11 A 4.0558 8.0008 121.6362 55.1072 18.0838 179.4293 12 L 3.8886 8.2190 118.9033 58.5005 42.2023 178.6176 13 H 4.1541 8.1391 119.3966 58.8380 29.8656 176.7299 14 D 4.3820 8.6498 120.7337 57.5630 40.6247 178.8160 15 A 4.0328 8.3374 121.3939 55.0989 18.2343 179.2781 16 N 4.4328 8.4764 115.6973 56.8381 39.0441 176.9284 17 I 3.9475 7.6942 122.6266 63.9546 37.0397 178.2284 18 S 4.1045 7.8085 114.0986 61.8512 62.7851 176.7215 19 R 3.8582 7.6412 119.3932 58.9060 29.9435 177.1388 20 Y 4.6340 8.7088 114.0810 56.4843 39.4659 175.0502 21 G 4.1503 8.1672 105.4169 43.4952 0.0000 172.3660 22 G 3.9535 8.2396 106.1165 42.3371 0.0000 173.1739 23 L 4.2126 8.1437 122.5400 53.3471 41.9840 174.6613 24 P 4.5159 0.0000 0.0000 62.9381 33.0317 175.0575 25 G 3.4561 8.2883 103.3965 46.2936 0.0000 174.6373 *27 S 4.2344 7.6579 112.1481 58.1380 64.3620 173.6694 28 D 4.6213 8.6302 125.7779 52.8680 41.5693 175.4348 29 P 4.4686 0.0000 0.0000 64.9819 31.2988 178.9025 30 G 3.5941 8.5014 105.3647 47.7469 0.0000 176.1336 31 R 3.9283 7.9524 119.7299 58.6776 30.1629 178.8287 32 A 3.9610 7.7871 120.7550 55.3081 18.3932 179.4840 33 E 3.9114 8.5283 117.2901 59.5843 29.5069 179.6030 34 A 3.9665 8.3333 121.0676 54.9339 18.4832 179.7727 35 I 3.5601 8.1162 118.7707 64.6658 37.1596 178.7337 36 I 3.7133 7.8866 120.6854 64.1915 36.8823 178.5156 37 G 3.6855 8.2103 106.7770 47.8792 0.0000 175.4675 38 R 3.7822 7.8072 121.0808 59.1079 30.1848 178.6320 39 V 3.3188 7.3111 117.3418 66.0147 31.4090 178.0167 40 Q 3.8036 8.2039 117.6763 58.9305 28.5171 178.4295 41 A 4.0021 8.2543 122.1911 55.3046 18.2604 179.7298 42 R 3.8258 8.2688 117.4355 59.3387 30.1446 178.7204 43 V 3.5610 7.6729 117.7481 66.1451 31.4335 177.9593 44 A 3.9981 8.0855 120.3216 55.1774 17.9965 179.0630 45 Y 3.9318 8.1207 117.6543 60.7990 38.9012 176.6434 46 E 4.2289 8.5081 115.8601 55.6819 30.3355 175.7996 47 E 3.7902 7.3796 116.4334 57.3272 27.3921 175.4025 48 I 4.0897 7.9802 118.9205 61.2231 38.0555 176.7349 49 T 4.3163 8.3831 115.1025 62.4739 70.5487 174.7734 50 D 4.4380 8.0099 121.8293 54.0557 41.9316 176.1795 51 L 4.1584 8.6805 128.1503 58.2810 41.6196 179.5190 52 F 4.4975 8.1185 116.9693 60.2978 38.7686 177.5938 53 E 4.0725 8.2426 117.6161 59.2094 29.5504 179.2321 54 V 3.6274 7.8282 118.1999 66.0008 31.5895 177.8292 55 S 4.0872 8.5393 113.1291 61.6159 62.2017 175.9802 56 A 4.0971 8.2773 123.1847 55.4912 18.0204 179.8879 57 T 3.7807 7.8630 114.2402 67.0226 68.5523 176.4882 58 Y 4.0054 7.9099 118.1602 60.9780 37.8556 178.6094 59 L 4.0947 7.8478 120.7629 58.1559 42.4116 179.2775 60 V 3.5367 7.9271 117.9139 65.9042 31.3281 177.6325 61 A 3.9540 8.0825 119.5338 55.6711 18.4653 179.5350 62 T 3.9755 7.9686 113.8033 66.7257 68.4052 177.1339 63 A 4.0707 8.0235 121.2915 54.2518 18.4484 178.7673 64 R 4.4106 7.6582 113.6295 56.1803 31.1217 177.5773 65 G 3.7601 7.8110 104.8486 43.9351 0.0000 173.3790 66 H 4.2142 7.9096 115.7616 56.8533 26.2588 174.2597 67 I 3.8099 7.8622 121.9078 64.0312 37.6783 176.5312 68 S 4.8064 7.5256 111.5603 57.1307 65.3092 173.1552 69 N 4.5486 8.6534 116.4165 54.7627 36.9819 173.9557 70 D 4.5539 7.8921 117.7876 54.1991 44.7595 174.8166 71 A 3.8480 8.8117 123.5188 53.4089 16.2585 179.8356 72 N 4.4591 8.1310 118.2154 57.4383 38.6093 177.4870 73 K 3.9854 8.0247 119.4644 59.4289 32.0720 179.4973 74 R 3.8333 7.8472 117.7637 59.6976 30.2497 179.1281 75 T 3.8804 8.0089 115.1723 66.2678 68.3282 176.7132 76 A 4.0737 8.0476 122.9305 55.0360 18.5279 179.2760 77 L 3.8971 7.8548 118.6779 58.5701 42.1219 179.0394 78 N 4.3475 8.4783 116.9357 56.2590 38.4372 177.6385 79 S 4.0396 8.1979 115.6194 61.0859 63.2984 176.2008 80 A 3.9186 8.0944 124.3651 55.2931 18.1486 179.7572 81 L 3.8991 8.0751 116.9007 57.3709 41.5824 179.5891 82 L 3.8469 8.0984 121.0241 57.7974 41.7432 178.7000 83 F 3.8857 7.7988 119.7770 61.1321 39.6153 176.7050 84 L 3.8391 7.7214 118.1250 57.7935 41.5505 179.4758 85 R 4.1671 7.8483 119.9077 59.0516 29.7897 178.7814 86 R 3.9370 8.0775 116.7290 58.0893 30.0679 177.5171 87 N 4.7382 7.7011 116.4232 52.7612 39.7644 176.7592 88 G 3.9481 7.8401 110.5060 45.3201 0.0000 174.8921 89 V 3.7311 6.9909 119.4610 62.1855 31.9473 174.7371 90 Q 4.2806 8.7076 128.9132 55.8324 29.4793 175.2317 91 V 3.8323 7.6907 117.9793 59.5337 34.6308 174.4381 92 F 4.7644 7.0888 113.5588 56.0869 39.7543 173.4380 93 D 4.6436 8.8099 121.4332 54.6374 41.9960 175.4112 94 S 4.7870 8.2468 116.7728 56.2060 65.4095 173.3468 95 P 4.3990 0.0000 0.0000 65.4132 31.4863 178.2337 96 E 4.1445 8.0332 117.8685 58.7830 29.3131 179.0241 97 L 4.0801 7.9892 119.2617 57.2559 41.5866 179.2620 98 A 3.9251 7.9058 120.5337 55.2757 18.4717 178.9724 99 D 4.3201 8.0967 116.7490 57.4841 40.9493 178.6229 100 L 3.9368 7.8813 120.5750 58.7614 42.0316 179.3317 101 T 3.8781 7.8279 115.2031 66.5494 68.3948 176.9171 102 V 3.6894 7.9974 120.3604 65.9448 31.6696 178.2971 103 G 3.6124 8.5247 105.6545 47.6994 0.0000 175.5073 104 A 4.1579 8.0283 122.9720 54.8379 18.1938 179.5445 105 A 3.9643 7.7724 118.3827 55.5412 18.6284 179.6596 106 T 4.0570 7.8477 106.1067 62.9062 69.1480 175.8468 107 G 3.9850 7.7016 109.2374 45.3790 0.0000 174.4055 108 E 4.0699 7.7444 118.9765 58.0919 29.6931 177.0575 109 I 4.4442 7.3929 119.4001 58.8950 39.4842 176.3118 110 S 4.4578 8.3972 120.5717 57.6608 65.3359 175.2298 111 V 3.6320 8.2518 121.4481 66.0249 31.0892 178.2361 112 S 4.1283 7.9630 113.6708 61.6580 63.1117 176.4720 113 S 4.0975 7.8128 118.9718 61.1235 62.4279 176.9684 114 V 3.5990 7.9209 120.8792 65.8886 31.3025 177.9868 115 A 4.2085 8.0021 120.6230 55.1261 18.0904 179.3948 116 D 4.2261 8.4466 117.7474 57.8557 41.0729 179.0232 117 T 3.7878 7.8110 116.1005 66.7952 68.5009 176.7357 118 L 4.0948 8.1482 120.8692 57.5375 41.6027 179.7019 119 R 2.5100 7.8161 118.7181 58.8517 29.7943 178.1493 120 R 3.7259 7.6091 117.3684 59.7538 30.0100 178.0336 121 L 3.9069 7.2725 116.6083 56.9381 41.6719 177.4906 122 Y 4.8465 7.3323 112.4884 57.4429 39.3391 175.9138 123 G 4.0038 8.1535 109.8390 45.3658 0.0000 174.1703 124 S 4.2423 8.2995 114.1265 58.7556 64.0067 174.4054 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 2 R 8.25 4.26 0.00 1.77 1.86 0.00 3.08 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 3 H 8.76 5.13 0.00 3.34 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.10 4.66 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.94 0.00 0.00 5 S 9.20 4.59 0.00 4.20 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 6 P 0.00 4.36 0.00 2.19 2.24 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 7 E 8.13 4.06 0.00 2.17 2.22 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 2.38 2.35 0.00 8 E 8.23 3.96 0.00 2.34 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 0.00 2.34 2.33 0.00 9 L 8.47 3.97 0.00 1.85 1.84 0.99 1.18 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 10 I 7.80 3.70 1.89 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 1.46 0.54 0.93 0.00 0.00 11 A 8.00 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.89 0.00 1.87 1.92 0.93 1.26 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 13 H 8.14 4.15 0.00 3.42 3.50 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.65 4.38 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 15 A 8.34 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.48 4.43 0.00 2.90 2.97 0.00 0.00 7.17 7.52 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 17 I 7.69 3.95 2.04 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 1.58 1.21 0.92 0.00 0.00 18 S 7.81 4.10 0.00 3.99 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 19 R 7.64 3.86 0.00 1.61 1.71 0.00 3.02 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 20 Y 8.71 4.63 0.00 3.04 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 21 G 8.17 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.24 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 23 L 8.14 4.21 0.00 1.61 1.62 0.93 0.93 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 24 P 0.00 4.52 0.00 2.23 2.06 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 25 G 8.29 3.46 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 *27 S 7.66 4.23 0.00 3.92 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 28 D 8.63 4.62 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.20 2.08 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 30 G 8.50 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 31 R 7.95 3.93 0.00 1.95 1.98 0.00 3.29 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 32 A 7.79 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.53 3.91 0.00 2.11 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 2.33 0.00 34 A 8.33 3.97 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 35 I 8.12 3.56 2.03 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 1.65 0.92 0.89 0.00 0.00 36 I 7.89 3.71 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.13 0.96 0.00 0.00 37 G 8.21 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 0.00 0.00 0.00 38 R 7.81 3.78 0.00 1.84 2.03 0.00 3.04 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 39 V 7.31 3.32 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 0.02 0.00 0.00 0.42 0.00 0.00 40 Q 8.20 3.80 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 41 A 8.25 4.00 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 42 R 8.27 3.83 0.00 1.81 1.86 0.00 3.07 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 V 7.67 3.56 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 1.00 0.00 0.00 0.93 0.00 0.00 44 A 8.09 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.12 3.93 0.00 3.00 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 46 E 8.51 4.23 0.00 2.18 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 2.44 2.52 0.00 47 E 7.38 3.79 0.00 2.11 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 2.23 2.32 0.00 48 I 7.98 4.09 1.90 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 1.38 0.50 0.98 0.00 0.00 49 T 8.38 4.32 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 1.23 0.00 0.00 50 D 8.01 4.44 0.00 2.81 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 51 L 8.68 4.16 0.00 1.25 1.49 0.70 1.02 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 52 F 8.12 4.50 0.00 3.35 3.26 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 53 E 8.24 4.07 0.00 2.16 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 0.00 2.43 2.52 0.00 54 V 7.83 3.63 2.24 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 0.51 0.00 0.00 1.02 0.00 0.00 55 S 8.54 4.09 0.00 4.18 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 0.00 56 A 8.28 4.10 1.52 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 57 T 7.86 3.78 4.15 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 0.00 0.00 1.05 0.00 0.00 58 Y 7.91 4.01 0.00 3.05 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 59 L 7.85 4.09 0.00 1.89 1.87 0.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.93 3.54 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 0.93 0.00 0.00 0.98 0.00 0.00 61 A 8.08 3.95 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 62 T 7.97 3.98 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 1.24 0.00 0.00 63 A 8.02 4.07 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 64 R 7.66 4.41 0.00 1.85 1.91 0.00 3.34 0.00 0.00 3.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 65 G 7.81 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 66 H 7.91 4.21 0.00 3.26 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.86 3.81 1.64 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 1.31 0.74 0.76 0.00 0.00 68 S 7.53 4.81 0.00 3.94 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 69 N 8.65 4.55 0.00 2.86 2.99 0.00 0.00 5.63 8.06 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 70 D 7.89 4.55 0.00 2.73 2.51 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 71 A 8.81 3.85 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 72 N 8.13 4.46 0.00 2.77 2.88 0.00 0.00 7.04 7.54 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 73 K 8.02 3.99 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 74 R 7.85 3.83 0.00 1.95 1.86 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 75 T 8.01 3.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 76 A 8.05 4.07 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 77 L 7.85 3.90 0.00 1.78 1.79 0.93 0.69 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 78 N 8.48 4.35 0.00 2.84 2.83 0.00 0.00 6.85 7.42 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 79 S 8.20 4.04 0.00 4.02 4.23 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 80 A 8.09 3.92 1.44 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 0.00 0.00 81 L 8.08 3.90 0.00 1.79 1.57 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.10 3.85 0.00 1.84 1.73 0.87 0.99 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 83 F 7.80 3.89 0.00 2.47 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 84 L 7.72 3.84 0.00 1.76 1.52 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.85 4.17 0.00 1.85 1.93 0.00 3.11 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 86 R 8.08 3.94 0.00 1.77 1.79 0.00 3.11 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 87 N 7.70 4.74 0.00 2.26 2.46 0.00 0.00 6.91 8.02 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 88 G 7.84 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 89 V 6.99 3.73 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 1.02 0.00 0.00 0.75 0.00 0.00 90 Q 8.71 4.28 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 91 V 7.69 3.83 1.49 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 0.32 0.00 0.00 0.78 0.00 0.00 92 F 7.09 4.76 0.00 3.15 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 93 D 8.81 4.64 0.00 2.76 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 94 S 8.25 4.79 0.00 3.97 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 95 P 0.00 4.40 0.00 2.09 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 96 E 8.03 4.14 0.00 1.95 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 2.31 2.34 0.00 97 L 7.99 4.08 0.00 1.73 1.73 1.04 1.06 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 98 A 7.91 3.93 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 99 D 8.10 4.32 0.00 2.70 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 0.00 100 L 7.88 3.94 0.00 1.90 1.87 0.93 0.92 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 0.00 101 T 7.83 3.88 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 1.25 0.00 0.00 102 V 8.00 3.69 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 1.01 0.00 0.00 0.93 0.00 0.00 103 G 8.52 3.61 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 0.00 0.00 0.00 104 A 8.03 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 3.96 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 0.00 106 T 7.85 4.06 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 1.29 0.00 0.00 107 G 7.70 3.98 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 0.00 0.00 0.00 108 E 7.74 4.07 0.00 1.94 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 2.34 2.28 0.00 109 I 7.39 4.44 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 1.35 0.61 0.91 0.00 0.00 110 S 8.40 4.46 0.00 4.05 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 0.00 111 V 8.25 3.63 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 1.08 0.00 0.00 0.92 0.00 0.00 112 S 7.96 4.13 0.00 4.10 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 0.00 113 S 7.81 4.10 0.00 4.02 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 0.00 114 V 7.92 3.60 2.26 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 1.13 0.00 0.00 0.99 0.00 0.00 115 A 8.00 4.21 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.45 4.23 0.00 2.88 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 0.00 117 T 7.81 3.79 4.37 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 1.17 0.00 0.00 118 L 8.15 4.09 0.00 2.00 2.08 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.82 2.51 0.00 1.51 1.76 0.00 3.00 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.00 120 R 7.61 3.73 0.00 1.72 2.00 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 121 L 7.27 3.91 0.00 0.67 0.21 0.68 0.55 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 0.00 122 Y 7.33 4.85 0.00 3.29 3.03 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 0.00 123 G 8.15 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 0.00 124 S 8.30 4.24 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.