NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.3824 8.3349 116.7846 58.9337 64.0177 172.7589 19 H 4.2643 8.8152 121.0495 56.1622 32.0808 171.5289 20 M 3.1861 8.7547 116.9425 56.7597 29.6140 177.3441 21 N 4.9565 8.1567 110.3657 52.6460 39.3420 173.6432 22 Q 4.5869 7.9069 117.1108 54.8467 31.2336 175.2749 23 C 4.7686 8.1804 116.6332 54.4034 42.3472 172.1495 24 P 4.3974 0.0000 0.0000 62.5486 31.3857 176.3124 25 E 3.9999 8.5580 122.0439 56.8588 29.9787 176.4501 26 H 4.7042 8.5179 121.0314 54.9779 30.5253 172.5723 27 S 4.8896 8.3039 121.2020 56.3074 65.1462 173.8791 28 Q 3.7773 8.5714 125.7465 55.6978 29.6621 175.4519 29 L 4.2057 7.9479 125.7823 54.9199 42.3102 176.5431 30 T 4.4111 8.2468 118.4056 61.9134 72.1811 173.2646 31 T 4.2135 8.0904 119.2727 61.9687 69.0533 174.5980 *36 G 3.8766 7.8304 116.7856 45.7433 0.0000 173.0309 37 K 4.3217 7.9474 118.3838 56.2933 32.7272 178.3653 38 E 4.0959 8.1496 120.7163 58.4174 29.7674 176.3123 39 F 4.8627 8.1696 121.7497 56.7644 40.2771 173.9017 40 P 4.1055 0.0000 0.0000 62.4524 31.4215 176.9022 41 E 3.8536 8.0903 119.0462 59.9109 28.9518 179.3177 42 V 3.6504 7.7751 118.9704 64.1929 31.5144 177.0493 43 H 5.0262 8.3852 114.9593 54.9249 29.1973 175.1707 44 L 4.3153 7.0009 121.6863 54.9600 42.9038 177.6493 45 G 3.7138 8.4922 105.3223 44.5438 0.0000 172.6803 46 Q 5.2924 7.8706 120.7830 55.1516 30.6073 176.2678 47 W 5.3578 8.1713 120.0406 56.0380 33.9692 173.0523 48 Y 5.4339 9.5164 119.8686 56.2611 41.2926 174.6639 49 F 4.8392 9.5331 126.3780 58.5516 39.9074 174.4852 50 I 4.1151 7.8745 126.1728 62.4562 39.5090 175.3859 51 A 4.2552 6.0414 120.1006 50.7841 22.3355 175.3154 52 G 4.7412 8.6479 106.0425 44.6292 0.0000 171.5842 53 A 5.6005 9.7437 122.0527 50.4473 23.0527 175.0674 54 A 4.8618 9.1416 121.0477 50.3348 22.8413 175.7354 55 P 4.4493 0.0000 0.0000 65.3437 31.9347 177.1918 56 T 4.8134 8.0792 105.8348 58.5525 72.0022 174.6727 57 K 3.9414 8.8201 121.8493 60.0829 31.7353 179.1806 58 E 4.0150 7.5846 117.8246 58.6410 29.7696 178.2952 59 E 4.2278 8.2404 117.5752 57.3079 29.8130 177.3979 60 L 4.7619 7.9818 118.1361 54.4392 42.6166 177.7371 61 A 4.1213 8.0177 121.6499 55.8044 17.9607 179.3531 62 T 3.7072 7.6603 109.5236 64.5613 67.5784 175.0113 63 F 4.9462 7.8366 118.0119 57.5292 39.1553 177.2001 64 D 4.4442 7.9539 119.7352 57.0282 40.9436 175.4675 65 P 4.7686 0.0000 0.0000 62.8804 32.6476 175.1493 66 V 4.4256 7.5893 120.4573 62.4583 32.2681 175.2087 67 D 4.7515 9.5104 128.9029 56.7232 42.2371 175.4986 68 N 5.3669 7.8395 113.2039 52.0269 40.9263 173.1041 69 I 4.9499 8.5888 120.1492 59.6356 41.2244 174.6091 70 V 4.7816 8.2334 126.0422 60.0087 34.1098 174.8681 71 F 5.4831 9.1563 120.6810 55.8537 43.5867 173.3284 72 N 5.5003 9.4725 119.8817 52.2262 42.2754 172.5392 73 M 5.0529 9.0688 126.2598 54.4220 34.1845 174.6130 74 A 5.1588 9.3174 126.6367 49.5210 23.4053 174.9275 75 A 4.1506 8.7543 121.2820 52.4864 18.9856 179.2777 76 G 3.7812 8.7769 110.2534 46.5272 0.0000 172.4867 77 S 4.5947 8.8593 113.7547 59.8732 64.3804 174.3072 78 A 4.5295 7.4957 121.0376 50.4115 20.3853 174.1833 79 P 4.3151 0.0000 0.0000 65.4218 32.6575 177.5330 80 M 4.5417 7.6121 118.4550 54.4698 30.5749 175.1287 81 Q 4.9771 7.5918 117.6497 54.1819 34.3652 175.9371 82 L 5.2319 8.8165 121.8631 53.3685 46.1042 175.2462 83 H 5.0475 9.4164 121.6713 54.8439 30.1856 173.9019 84 L 5.1937 8.9854 126.7657 53.8853 43.6929 175.4661 85 R 5.3485 9.2855 124.9466 54.6660 33.7408 174.7348 86 A 5.0130 8.9010 121.9980 50.8030 23.4923 175.2009 87 T 4.9628 8.4067 115.7848 61.8065 72.3232 173.2496 88 I 4.5045 8.7832 128.3567 60.3405 39.0401 174.9431 89 R 4.7905 9.0848 129.0176 55.4795 30.9844 175.7871 90 M 4.7426 9.1983 127.1875 54.7862 32.9566 178.1630 91 K 4.0060 9.2519 121.1493 59.4199 32.2969 178.2095 92 D 4.4905 7.9782 116.0042 53.6754 39.8260 176.9594 93 G 4.0914 8.0567 108.3544 44.8184 0.0000 174.1611 94 L 4.3445 8.1733 119.9147 54.8549 43.1654 175.2037 95 C 5.4719 8.6455 117.9644 55.2162 41.4377 173.6086 96 V 4.4858 8.5926 123.6769 60.3000 33.6241 172.8818 97 P 5.0178 0.0000 0.0000 62.8444 32.5187 175.7712 98 R 4.5102 8.7385 119.5533 54.5867 34.9625 173.9851 99 K 5.0235 7.6183 121.3653 54.8659 35.4461 175.1993 100 W 5.2484 9.5092 125.5908 55.1083 34.1026 173.7960 101 I 4.9651 8.3113 121.9110 59.9030 38.9918 174.7373 102 Y 5.0078 8.9083 124.3851 56.5940 41.2541 174.6717 103 H 5.6686 8.8918 118.8415 53.0990 31.2545 173.7816 104 L 4.3752 8.6927 123.4370 54.8945 42.8384 176.8511 105 T 4.6631 8.2964 117.4751 61.2694 71.2005 173.9425 106 E 4.3441 8.6215 124.0467 57.5701 30.2714 176.8647 107 G 4.0405 9.0322 109.6948 45.0629 0.0000 173.3309 108 S 4.6587 7.6433 112.9009 56.5973 64.6126 173.7312 109 T 3.6028 7.8637 114.1477 61.4313 69.4159 174.7299 110 D 4.6158 7.5704 122.7248 55.0045 41.7017 175.7709 111 L 4.6562 8.6516 122.7893 53.3881 43.8533 175.5687 112 R 4.7417 8.4238 123.4659 55.2264 31.7329 177.2170 113 T 3.5732 8.8264 119.6326 64.8967 67.9278 173.9957 *119 M 5.0199 7.8074 117.4909 55.3254 32.6607 174.1353 120 K 4.8139 8.1839 117.8782 56.0547 36.6497 174.4542 121 T 4.9487 8.6131 119.6898 62.1129 70.7256 173.2710 122 E 4.9280 9.0671 126.4766 55.0030 31.9558 175.0968 123 L 5.0586 8.0800 122.8758 53.3936 44.3792 175.4659 124 F 5.2489 9.1820 120.7715 55.3604 43.3736 174.8200 125 S 4.7488 9.3713 116.9735 58.6195 63.8206 173.2505 126 S 4.9693 8.4205 114.6101 56.2719 64.7516 174.2630 127 S 4.2799 8.9942 119.5916 61.0216 63.4128 174.4288 128 C 4.4555 8.0462 119.9445 58.0164 28.7156 171.4792 129 P 4.4647 0.0000 0.0000 63.9376 31.6003 176.5425 130 G 3.9422 9.0308 108.9296 46.1168 0.0000 173.0755 131 G 4.6529 7.8142 105.8802 44.8822 0.0000 173.3579 132 I 4.7124 8.5391 118.9761 59.8596 42.0109 172.8635 133 M 5.2540 9.0111 127.4957 53.8303 35.3794 174.1996 134 L 5.3771 9.4302 125.2097 53.0711 45.3915 174.9420 135 N 5.1023 9.1478 120.4423 52.0034 41.8255 172.7929 136 E 4.8808 8.9709 127.0366 55.3380 31.6157 175.4211 137 T 4.4381 8.1861 121.3251 61.9472 71.9680 173.9268 138 G 4.0678 7.4965 110.2253 45.8509 0.0000 171.9412 139 Q 4.2915 9.1445 119.3050 56.9264 27.8059 176.3134 140 G 4.1310 8.7403 112.7020 45.7854 0.0000 171.2009 141 Y 5.3382 7.4121 114.5699 55.8011 41.1214 173.0844 142 Q 4.8348 8.7114 119.7115 56.3744 31.9824 173.1468 143 R 4.7353 7.9263 118.5430 55.6057 32.6969 173.1059 144 F 5.5227 9.7440 120.2836 56.0509 42.2182 174.8544 145 L 5.2260 9.1004 121.7446 53.2359 45.9662 174.8550 146 L 4.5534 8.2536 126.7342 53.6260 43.7290 174.8353 147 Y 5.3072 8.7876 122.9232 56.5008 42.3775 173.8536 148 N 5.8394 9.4179 118.4830 52.4979 42.5910 175.4437 149 R 3.8432 9.0637 123.4885 59.1208 30.6564 177.6454 150 S 4.4938 8.5388 113.0805 56.6562 63.1205 172.3963 151 P 3.9381 0.0000 0.0000 64.7535 31.7298 175.9581 152 H 4.6986 7.6014 117.9868 53.4995 29.3273 170.4855 153 P 4.5412 0.0000 0.0000 61.0884 32.8663 175.3574 154 P 4.3185 0.0000 0.0000 62.7612 31.9163 177.4336 155 E 3.9336 8.9006 122.3122 59.1309 29.4651 178.8315 156 K 3.8003 8.1875 119.3743 59.9456 32.1746 178.0216 157 C 4.2498 7.9214 116.0843 62.9230 28.0903 176.4499 158 V 3.6831 7.7009 119.0798 66.0592 31.2669 177.4922 159 E 3.8680 8.5196 118.7823 59.7592 29.2875 179.3852 160 E 3.9281 8.7569 118.6196 59.2830 29.3803 179.2935 161 F 4.1096 8.1863 120.3965 60.9745 39.4423 177.1441 162 K 3.4219 8.0561 119.3312 59.2661 31.9947 178.7589 163 S 3.8632 7.9333 113.3590 61.1356 62.4301 175.6474 164 L 3.7091 7.7894 123.3034 58.3267 41.7505 178.9296 165 T 3.1055 7.3519 109.6310 64.6594 68.4809 175.8180 166 S 3.9403 7.8255 116.1986 61.4055 62.0397 175.5276 167 C 4.2611 7.6732 119.3711 59.2826 43.3903 174.5463 168 L 4.2305 7.1260 117.6924 54.5219 41.2042 176.8571 169 D 4.6831 7.7266 117.2551 54.6871 40.5186 175.5427 170 S 4.7832 7.8063 115.6547 57.4838 61.2303 174.0013 171 K 4.0920 7.9704 121.2843 57.8153 33.0723 177.4503 172 A 4.3396 7.9239 122.3041 51.7259 19.2364 176.3504 173 F 5.3200 8.8837 124.4648 56.2843 42.7715 173.7494 174 L 4.5598 8.2493 126.9938 53.0917 45.3536 174.3829 175 L 4.6039 8.2109 128.2395 53.0849 43.6478 175.8463 176 T 4.0753 8.0064 117.8760 61.0076 68.7809 173.1343 177 P 4.2728 0.0000 0.0000 64.2127 31.7627 176.6215 178 R 3.9621 7.8180 116.0407 57.1108 28.0267 176.9934 179 N 4.5380 8.5109 115.0648 54.8041 39.2871 175.7295 180 Q 4.6779 8.3288 116.8488 53.5546 31.1969 174.8649 181 E 4.0716 8.4523 118.6683 55.8898 30.1371 177.2033 182 A 4.5617 8.4418 123.9543 52.1415 18.9901 178.3718 183 C 4.6215 8.5272 118.3068 55.9573 41.2319 173.8664 184 E 4.2365 8.5034 120.5828 56.7389 29.7867 176.7783 185 L 4.2045 8.1212 121.2624 55.5300 42.3725 175.6710 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 18 S 8.33 4.38 0.00 3.85 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 19 H 8.82 4.26 0.00 3.15 3.14 0.00 5.84 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 20 M 8.75 3.19 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 21 N 8.16 4.96 0.00 2.74 2.82 0.00 0.00 6.18 7.39 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 22 Q 7.91 4.59 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 23 C 8.18 4.77 0.00 2.91 2.89 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 24 P 0.00 4.40 0.00 1.97 1.97 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 25 E 8.56 4.00 0.00 1.93 1.88 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 2.32 2.32 0.00 26 H 8.52 4.70 0.00 3.27 3.19 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.30 4.89 0.00 3.64 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 3.78 0.00 1.66 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 29 L 7.95 4.21 0.00 1.31 1.38 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.25 4.41 4.16 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 0.00 0.00 1.12 0.00 0.00 31 T 8.09 4.21 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 1.21 0.00 0.00 *36 G 7.83 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 0.00 0.00 0.00 37 K 7.95 4.32 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.43 7.81 38 E 8.15 4.10 0.00 2.10 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 0.00 2.42 2.33 0.00 39 F 8.17 4.86 0.00 3.03 3.12 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 40 P 0.00 4.11 0.00 1.85 1.04 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 41 E 8.09 3.85 0.00 2.19 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 0.00 2.52 2.37 0.00 42 V 7.78 3.65 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 0.79 0.00 0.00 0.87 0.00 0.00 43 H 8.39 5.03 0.00 3.17 3.69 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.00 4.32 0.00 1.58 1.62 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.49 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 0.00 0.00 0.00 46 Q 7.87 5.29 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 47 W 8.17 5.36 0.00 3.27 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 48 Y 9.52 5.43 0.00 3.15 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 49 F 9.53 4.84 0.00 3.46 3.20 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 50 I 7.87 4.12 1.52 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 1.10 1.07 0.72 0.00 0.00 51 A 6.04 4.26 0.96 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 0.00 0.00 52 G 8.65 4.74 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 53 A 9.74 5.60 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 54 A 9.14 4.86 1.43 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 0.00 0.00 0.00 55 P 0.00 4.45 0.00 2.10 2.18 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 56 T 8.08 4.81 4.41 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 1.24 0.00 0.00 57 K 8.82 3.94 0.00 1.85 1.96 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.60 7.81 58 E 7.58 4.02 0.00 2.12 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 2.34 2.39 0.00 59 E 8.24 4.23 0.00 2.15 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 2.44 2.38 0.00 60 L 7.98 4.76 0.00 1.87 1.89 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.02 4.12 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 62 T 7.66 3.71 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 0.37 0.00 0.00 63 F 7.84 4.95 0.00 3.35 3.16 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 0.00 0.00 0.00 64 D 7.95 4.44 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.15 2.28 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 66 V 7.59 4.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.16 0.00 0.00 67 D 9.51 4.75 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 5.37 0.00 3.00 2.93 0.00 0.00 5.95 7.68 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 69 I 8.59 4.95 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.39 0.00 0.00 70 V 8.23 4.78 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 0.71 0.00 0.00 0.49 0.00 0.00 71 F 9.16 5.48 0.00 2.99 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 72 N 9.47 5.50 0.00 2.82 2.69 0.00 0.00 6.92 7.24 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 73 M 9.07 5.05 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 74 A 9.32 5.16 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 75 A 8.75 4.15 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 76 G 8.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.86 4.59 0.00 3.91 3.94 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 78 A 7.50 4.53 1.27 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 79 P 0.00 4.32 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 80 M 7.61 4.54 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 81 Q 7.59 4.98 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.87 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 82 L 8.82 5.23 0.00 1.65 1.55 0.82 0.95 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 83 H 9.42 5.05 0.00 3.10 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.99 5.19 0.00 2.13 2.10 1.20 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.29 5.35 0.00 1.84 1.82 0.00 3.16 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 86 A 8.90 5.01 0.81 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 0.00 0.00 87 T 8.41 4.96 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 1.23 0.00 0.00 88 I 8.78 4.50 1.90 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 1.18 0.75 0.99 0.00 0.00 89 R 9.08 4.79 0.00 1.94 2.11 0.00 3.36 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 90 M 9.20 4.74 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 91 K 9.25 4.01 0.00 1.73 1.91 0.00 1.84 0.00 0.00 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0.00 0.00 0.00 1.31 1.46 7.81 100 W 9.51 5.25 0.00 2.84 2.81 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 0.00 101 I 8.31 4.97 1.86 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 1.28 0.64 0.82 0.00 0.00 102 Y 8.91 5.01 0.00 2.86 2.81 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 0.00 103 H 8.89 5.67 0.00 3.16 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.69 4.38 0.00 1.60 1.74 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.30 4.66 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 1.23 0.00 0.00 106 E 8.62 4.34 0.00 2.11 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 2.29 2.32 0.00 107 G 9.03 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 0.00 108 S 7.64 4.66 0.00 3.77 3.83 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 0.00 109 T 7.86 3.60 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 0.10 0.00 0.00 110 D 7.57 4.62 0.00 2.59 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 0.00 111 L 8.65 4.66 0.00 1.43 1.36 0.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.42 4.74 0.00 1.78 1.89 0.00 3.30 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 113 T 8.83 3.57 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 1.26 0.00 0.00 *119 M 7.81 5.02 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 120 K 8.18 4.81 0.00 1.79 1.87 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.35 1.50 7.81 121 T 8.61 4.95 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 1.09 0.00 0.00 122 E 9.07 4.93 0.00 2.13 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 2.40 2.58 0.00 123 L 8.08 5.06 0.00 1.39 1.43 1.00 0.84 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 0.00 124 F 9.18 5.25 0.00 2.97 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 0.00 125 S 9.37 4.75 0.00 3.90 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 0.00 126 S 8.42 4.97 0.00 3.93 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 0.00 127 S 8.99 4.28 0.00 4.11 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 0.00 128 C 8.05 4.46 0.00 3.09 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 0.00 129 P 0.00 4.46 0.00 2.07 2.02 0.00 3.81 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 2.05 2.12 0.00 130 G 9.03 3.94 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 0.00 0.00 0.00 131 G 7.81 4.65 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 0.00 0.00 0.00 132 I 8.54 4.71 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.48 -0.01 0.00 0.00 133 M 9.01 5.25 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.75 0.00 134 L 9.43 5.38 0.00 1.76 1.58 0.66 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 135 N 9.15 5.10 0.00 2.87 2.87 0.00 0.00 7.25 7.19 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 0.00 136 E 8.97 4.88 0.00 1.96 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 2.26 2.32 0.00 137 T 8.19 4.44 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 1.09 0.00 0.00 138 G 7.50 4.07 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 0.00 0.00 0.00 139 Q 9.14 4.29 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 140 G 8.74 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 0.00 0.00 0.00 0.00 141 Y 7.41 5.34 0.00 3.18 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 0.00 142 Q 8.71 4.83 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 143 R 7.93 4.74 0.00 2.20 2.11 0.00 3.31 0.00 0.00 3.58 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 144 F 9.74 5.52 0.00 3.00 3.18 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 0.00 145 L 9.10 5.23 0.00 1.76 1.50 1.13 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.62 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 2.13 2.10 0.00 155 E 8.90 3.93 0.00 2.07 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 2.38 2.60 0.00 156 K 8.19 3.80 0.00 1.86 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 157 C 7.92 4.25 0.00 3.22 2.99 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 0.00 0.00 0.00 158 V 7.70 3.68 2.27 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 1.29 0.00 0.00 0.91 0.00 0.00 159 E 8.52 3.87 0.00 2.17 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 2.28 2.53 0.00 160 E 8.76 3.93 0.00 2.13 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 2.32 2.43 0.00 161 F 8.19 4.11 0.00 3.13 3.22 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 0.00 162 K 8.06 3.42 0.00 1.08 1.58 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.25 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.97 0.43 7.81 163 S 7.93 3.86 0.00 3.86 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 0.00 164 L 7.79 3.71 0.00 1.65 1.43 0.62 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.35 3.11 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 -0.04 0.00 0.00 166 S 7.83 3.94 0.00 3.82 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 0.00 167 C 7.67 4.26 0.00 3.02 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 0.00 168 L 7.13 4.23 0.00 1.44 1.66 0.27 0.90 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 0.00 169 D 7.73 4.68 0.00 2.82 2.89 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 0.00 170 S 7.81 4.78 0.00 4.15 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 0.00 171 K 7.97 4.09 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 172 A 7.92 4.34 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 0.00 173 F 8.88 5.32 0.00 2.95 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 0.00 174 L 8.25 4.56 0.00 1.66 1.36 1.07 0.32 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 0.00 175 L 8.21 4.60 0.00 1.68 1.51 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 176 T 8.01 4.08 4.44 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 1.03 0.00 0.00 177 P 0.00 4.27 0.00 2.37 2.23 0.00 4.12 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 178 R 7.82 3.96 0.00 1.95 2.02 0.00 3.30 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 179 N 8.51 4.54 0.00 2.73 2.88 0.00 0.00 7.07 7.69 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 0.00 180 Q 8.33 4.68 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 181 E 8.45 4.07 0.00 1.98 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 2.34 2.32 0.00 182 A 8.44 4.56 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 0.00 183 C 8.53 4.62 0.00 2.99 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 0.00 184 E 8.50 4.24 0.00 2.08 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 2.28 2.30 0.00 185 L 8.12 4.20 0.00 1.52 1.48 0.89 0.84 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 * Residues marked with a * may have inaccurate shift predictions.