NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4648 8.3231 116.8018 57.4108 65.4014 174.6483 -1 G 3.9157 7.1913 110.0706 44.3135 0.0000 169.6409 0 H 3.8394 8.1833 112.5990 56.6967 26.6952 172.0620 0 I 3.2794 7.7633 114.2990 62.7967 36.4952 174.3620 3 W 5.2869 8.6683 121.2447 55.0181 32.4460 175.2660 4 I 5.1074 9.0410 123.6156 59.9378 39.5318 174.9165 5 V 4.9572 9.3639 121.2160 59.3238 34.7395 175.7311 6 G 4.2772 8.6868 111.8824 46.1934 0.0000 173.8748 7 S 4.4781 9.1398 116.9247 58.3151 65.0561 174.8279 8 G 4.0799 8.2506 107.7444 44.7627 0.0000 173.0140 9 T 4.1993 8.5419 112.3392 64.4997 70.4652 175.3068 10 C 4.9292 8.5464 116.5831 54.5125 42.8179 173.7600 11 R 4.0740 8.2136 120.3265 57.5432 30.0744 177.0046 12 G 3.8035 8.7652 109.3559 47.4788 0.0000 173.8915 13 Q 4.5362 8.0390 114.8010 55.1794 30.2023 175.9787 14 T 4.1537 7.7648 113.0271 61.8625 68.3945 174.2411 15 T 4.5638 7.9985 117.1748 60.2083 72.3738 175.4607 16 E 3.9012 8.6969 122.0563 59.9681 29.4001 179.8796 17 R 3.8055 7.8745 117.8361 59.0252 30.1938 178.1440 18 A 3.8035 7.5703 120.7316 55.1316 18.4155 179.7776 19 K 3.8969 8.0737 116.9240 59.5177 32.2063 179.4971 20 E 3.8813 7.9692 118.5016 59.3899 29.4954 179.3742 21 I 3.4378 7.5829 119.7995 64.4171 36.8721 178.5780 22 I 3.6850 7.7217 119.5732 64.4918 37.0293 178.2275 23 E 4.0941 8.4801 118.3156 58.9781 29.2945 179.1314 24 R 4.0599 7.7137 117.0884 57.5064 30.6101 177.0877 25 A 4.1279 7.1041 120.3856 53.0569 18.9364 176.8422 26 E 4.5485 8.9823 120.5502 57.5907 31.0948 177.4415 27 V 4.5887 7.6392 117.6434 59.7770 35.3466 174.6910 28 I 4.8943 8.7076 124.4309 59.9299 39.9323 174.2425 29 Y 5.3292 9.0761 125.2005 54.9916 40.7626 175.4140 30 G 4.7504 8.2824 112.1431 46.0313 0.0000 172.3036 31 S 5.0758 8.3991 115.4494 57.6546 64.2209 175.0574 32 R 3.9138 8.9677 121.2247 60.1344 29.5208 178.7778 33 R 3.8806 8.0189 116.5224 59.2186 30.2181 178.7558 34 A 4.0404 8.0604 120.5514 55.1984 18.3107 179.7494 35 L 3.9574 8.2789 117.6796 57.8634 41.7061 179.3673 36 E 3.9307 8.3512 118.5637 59.4838 29.2500 179.0822 37 L 3.9253 8.0364 117.7560 58.0781 41.9526 179.1988 38 A 4.2826 7.8143 116.5326 51.8022 18.5348 177.2345 39 G 3.8538 8.5762 105.6481 47.0002 0.0000 175.0557 40 V 4.4760 8.0904 109.3596 60.2793 33.6448 178.3000 41 V 3.5926 7.9919 120.9213 64.1084 31.1869 176.4848 42 D 4.7507 7.8348 117.9865 53.8169 41.3288 175.8861 43 D 4.5538 8.0474 120.7765 53.8734 41.7879 177.3031 44 S 4.1826 8.4343 118.5564 61.0195 63.6547 175.2521 45 R 4.2047 7.9990 118.8161 57.0742 30.8840 176.0606 46 A 4.7138 7.4268 122.5631 51.1470 19.7911 177.1302 47 R 4.3870 8.8986 122.0969 54.0300 33.0216 175.0120 48 I 4.4704 8.3460 125.5796 60.5997 38.5636 175.4108 49 L 4.1829 9.2060 130.9243 55.0720 41.7368 176.9280 50 R 4.4110 8.6929 121.2687 57.4601 31.6346 176.5899 51 S 4.9792 7.6619 109.5577 56.8770 64.4097 172.9655 52 F 4.6818 8.4804 120.6172 56.4852 40.5852 175.9105 53 K 4.5107 7.9700 121.6161 55.0801 34.1728 177.8095 54 G 3.7787 8.6100 106.3419 48.7221 0.0000 175.5439 55 D 4.5521 8.0901 121.1833 56.6752 40.8627 178.4840 56 E 3.8688 8.0377 119.6228 59.2275 29.5147 178.6862 57 I 3.7316 7.5047 118.9100 63.9331 37.1996 178.3147 58 R 4.0159 8.0913 119.0513 59.1576 30.1839 178.4830 59 R 3.9808 7.8525 118.4373 59.4523 29.5125 178.8617 60 I 3.2040 7.1322 117.5933 62.2041 38.0679 177.3664 *62 E 4.2323 8.1797 122.8630 56.2116 31.3801 177.3331 63 E 4.1234 8.2776 118.7828 58.4988 29.3310 178.0281 64 G 4.0861 7.4880 102.8966 45.7857 0.0000 174.6454 65 R 4.2504 7.9700 121.1743 58.1690 30.4836 177.3918 66 E 4.3671 8.0854 116.7238 56.7373 30.4230 176.0464 67 R 4.6783 7.4282 115.9075 53.9371 34.4779 173.9652 68 E 4.4817 8.8630 118.9343 56.3648 30.3290 176.2387 69 V 5.0580 8.5594 124.5428 61.0557 34.8038 174.1136 70 A 5.2813 8.8720 127.1874 50.2183 22.7580 174.9202 71 V 4.9299 9.1856 121.8831 61.1836 34.4542 174.1859 72 I 4.9569 8.9728 129.2251 59.8380 38.8436 175.0466 73 S 5.0674 9.0577 122.2155 56.3389 65.0878 173.4675 74 T 4.4507 8.0462 115.1741 60.9281 69.9157 176.2878 75 G 3.7428 8.7747 113.0338 46.9902 0.0000 175.2919 76 D 5.1729 8.6584 122.4463 51.3634 42.7319 175.9898 77 P 4.3255 0.0000 0.0000 61.9798 30.4482 176.4393 *79 V 3.6348 7.7752 117.7595 63.1937 31.4802 174.2476 80 A 3.8789 8.5511 131.9735 53.1665 16.9070 177.3845 81 G 4.5711 7.7175 110.7446 46.5094 0.0000 176.2806 82 L 4.4256 8.6801 120.9845 55.4130 42.0288 178.5736 83 G 4.0225 7.9859 106.8015 48.0968 0.0000 175.4135 84 R 3.9294 8.0077 119.2697 59.2482 30.5088 179.3222 85 V 3.7936 7.7685 111.1325 64.0911 31.4987 178.5007 86 L 4.0050 8.0385 119.1224 57.9642 41.2931 179.7012 87 R 3.9689 7.8116 116.2788 58.5292 29.9977 177.8504 88 E 4.4170 7.8826 116.4790 55.2978 30.0234 175.6377 89 I 4.2609 7.2225 120.8398 59.0392 38.9560 175.5841 90 A 3.9772 8.4243 127.9425 51.7113 17.1489 176.6927 91 E 3.9726 8.5053 122.7206 57.7057 28.4719 175.9247 92 D 4.5692 8.2084 124.5162 55.7693 42.3514 177.0455 93 V 3.9087 7.3417 118.8800 61.3765 32.3300 175.2643 94 E 4.4367 8.3379 123.3719 55.7792 30.6924 175.3740 95 I 4.7453 8.0752 117.2154 58.9656 40.5113 174.5860 96 K 4.3762 8.1231 123.5444 54.4572 35.4301 174.7237 97 I 4.9602 8.2724 124.4839 59.6930 39.4211 174.5238 98 E 4.8065 9.2993 128.1922 53.7386 31.4073 173.6395 99 P 5.0360 0.0000 0.0000 63.0279 32.4235 175.3171 100 A 4.6174 8.3676 123.7358 50.8198 22.5519 175.7339 101 I 4.2313 8.1935 120.0358 61.1676 37.8389 176.5890 102 S 4.6012 9.0273 121.4497 57.1176 65.9081 175.5131 103 S 4.1896 8.4421 117.1208 61.2262 62.6832 176.7323 104 V 3.5587 7.7305 121.8032 66.1106 31.3586 177.8280 105 Q 3.9818 7.8596 117.3297 58.9017 28.5191 178.9184 106 V 3.5469 7.8793 119.0988 65.8439 31.5707 177.9692 107 A 3.9225 8.2136 120.6742 55.2307 18.2743 179.5890 108 L 3.8237 8.0633 117.3028 57.8746 41.6545 179.7080 109 A 4.0037 8.1712 120.8064 55.0611 18.0500 179.9551 110 R 3.8652 7.6628 116.0365 59.1446 30.2532 178.6496 111 L 4.0316 7.8035 116.6469 54.3133 42.0733 176.8286 112 K 3.8037 7.4318 116.5361 57.6331 29.8955 175.4853 113 V 4.3720 7.3584 116.9358 60.8355 34.0479 174.4309 114 D 4.6230 8.5447 125.3849 53.3646 42.0708 177.1145 115 L 4.0337 8.5059 126.8043 58.1061 42.2885 178.4484 116 S 4.5421 8.3567 110.1449 59.1662 63.4278 173.8839 117 E 4.6556 8.2864 120.2508 56.6245 30.8325 175.3191 118 V 5.2624 7.8172 111.6462 59.5148 36.5650 174.5150 119 A 4.6983 8.7089 122.2848 50.2601 21.5276 175.6156 120 V 4.3672 8.5819 123.3779 62.6527 32.6843 175.3094 121 V 4.3979 8.9058 128.0997 61.2029 34.3669 174.0867 122 D 4.7711 8.8962 127.8731 53.9982 40.1423 175.2224 123 C 4.1732 8.9116 131.1832 60.2849 32.1270 172.9563 *128 F 4.5620 7.5949 114.2957 57.2608 40.0371 174.5081 129 D 4.4405 8.8437 119.3465 57.7109 41.4707 178.2581 130 A 4.1558 7.9655 121.1306 54.6790 18.5996 178.7753 131 E 4.2476 8.2801 113.9192 57.9361 30.0886 177.0362 132 L 4.0479 7.6113 121.7338 56.5853 41.8847 178.0415 133 T 3.8337 8.5457 113.2971 66.1659 68.2730 174.2622 134 E 3.9966 8.2504 119.9640 58.8069 29.2346 178.8670 135 L 4.1521 7.9446 118.0136 58.3897 42.3491 179.5774 136 L 4.6261 7.9378 118.7547 56.2223 41.2234 179.3760 137 K 3.9046 8.0271 118.8344 58.1418 32.0396 177.0032 138 Y 4.7893 7.6224 113.1888 57.4627 39.9647 175.1811 139 R 4.7461 7.3888 117.7469 55.0328 35.1182 174.2825 140 H 4.9268 8.7354 118.4052 55.8288 30.5123 174.1971 141 L 5.1764 8.8515 120.1295 53.0321 44.6087 175.7590 142 L 5.0574 8.8681 124.7187 53.5904 44.4719 174.6432 143 I 4.7223 8.5287 128.1987 59.6819 39.3497 175.2933 144 L 4.6339 9.0986 128.1749 54.0969 42.5345 175.7901 145 A 5.1970 9.1396 126.0797 49.9320 23.2409 173.6260 146 D 5.5499 8.5131 117.4539 50.0884 42.9342 176.8583 147 S 4.1753 9.3394 113.1145 60.9482 62.7280 174.7193 148 H 4.7144 8.2428 117.3853 55.3224 28.7076 174.8669 149 F 4.0450 8.0108 123.7838 57.5376 39.5128 173.7707 150 P 4.3869 0.0000 0.0000 61.6046 30.0065 176.4284 151 L 4.3468 8.4410 127.3694 57.9893 42.2816 179.4372 152 E 3.8895 7.8765 115.7073 59.6552 29.1133 179.3993 153 R 3.9551 7.9642 114.9845 57.3280 30.2516 176.5716 154 L 4.3897 8.1232 120.0630 54.1619 43.4167 177.3410 155 G 3.8493 8.5363 108.1957 48.1056 0.0000 175.0401 156 K 5.2987 8.4601 123.6730 55.3329 33.0676 176.1734 157 R 4.0980 7.6009 119.2090 56.0117 31.1543 176.2028 158 R 4.5010 8.5206 123.8517 56.6481 30.8209 175.9177 159 V 4.7483 9.3725 118.7229 59.5465 36.5686 174.4285 160 V 4.7453 8.6477 122.4764 61.2040 34.3258 174.1114 161 L 4.9986 9.0006 128.3441 53.2015 43.8524 175.4203 162 L 4.7996 9.1520 125.3801 53.2986 43.4878 175.1221 163 E 5.0150 9.3347 124.7861 55.0164 31.9177 176.5036 164 N 4.2097 8.9541 121.1303 53.5634 36.9337 174.8038 165 L 3.9690 7.8572 115.7622 56.7785 42.9621 178.5691 166 C 3.7710 9.4443 120.9332 57.8341 37.4561 172.7816 *168 E 4.3522 8.0433 119.2723 56.2042 31.3403 178.3126 169 G 4.0447 7.7741 106.2694 44.5883 0.0000 172.9940 170 E 4.3916 8.0961 120.6618 56.0118 30.1593 176.2520 171 R 4.7951 9.2029 124.6430 54.6877 35.2435 173.9576 172 I 5.0284 8.4066 122.5252 59.7157 39.7778 175.0740 173 R 4.8364 9.1215 125.5039 54.3585 34.1430 174.4065 174 E 5.1049 9.8074 119.4900 54.1366 33.3250 176.6133 175 G 3.8943 7.1858 107.9873 45.9629 0.0000 170.4465 176 N 5.2393 7.8733 115.9318 51.0792 40.3899 175.8483 177 A 4.1179 8.5841 126.3953 55.4957 18.7422 178.7064 178 D 4.5655 7.8382 114.8179 55.2067 39.8883 177.7777 179 S 4.8561 8.4064 113.6256 57.4749 63.5215 173.2192 180 I 4.5644 7.7391 119.2941 59.6371 40.4729 174.1457 181 E 4.7032 8.5378 125.5744 54.5734 31.4412 175.8703 182 L 4.5087 8.2452 122.5331 54.4410 42.7643 176.6891 183 E 4.6802 8.4574 114.8440 55.8145 32.5637 174.9868 184 S 4.7774 7.8045 113.5967 56.5243 64.6706 173.2830 185 D 4.4998 8.4564 124.6241 55.7579 41.4530 175.4926 186 Y 4.8823 7.6745 118.5490 56.3660 37.3218 173.7439 187 T 4.9933 8.4808 116.8748 61.6270 72.4766 173.5565 188 I 4.7797 8.8278 127.7843 59.6890 39.8060 174.7148 189 I 4.7525 8.6218 128.2311 59.6454 39.2450 174.3598 190 F 5.0832 9.4690 131.3432 56.9269 41.0700 174.5821 191 V 4.2800 8.1102 126.7243 60.5976 33.5078 174.5530 192 E 4.0459 8.1446 128.0013 55.8664 30.1218 177.4253 193 R 3.9093 8.8670 120.1049 56.4983 30.3034 177.0628 194 E 4.1797 8.3105 121.8961 55.8477 28.1078 177.3540 195 V 3.8861 7.9724 121.9669 61.4983 31.7935 176.5813 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 S 8.32 4.46 0.00 3.90 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 -1 G 7.19 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 0 H 8.18 3.84 0.00 3.35 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 I 7.76 3.28 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 0.97 0.91 0.00 0.00 3 W 8.67 5.29 0.00 3.31 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 4 I 9.04 5.11 1.97 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 1.31 0.93 1.01 0.00 0.00 5 V 9.36 4.96 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 0.76 0.00 0.00 0.96 0.00 0.00 6 G 8.69 4.28 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 0.00 7 S 9.14 4.48 0.00 3.93 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 8 G 8.25 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 9 T 8.54 4.20 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 1.18 0.00 0.00 10 C 8.55 4.93 0.00 2.86 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 11 R 8.21 4.07 0.00 1.78 1.84 0.00 3.42 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 12 G 8.77 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 0.00 0.00 0.00 13 Q 8.04 4.54 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 14 T 7.76 4.15 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 1.19 0.00 0.00 15 T 8.00 4.56 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 1.20 0.00 0.00 16 E 8.70 3.90 0.00 1.99 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 2.38 2.37 0.00 17 R 7.87 3.81 0.00 1.81 1.95 0.00 3.16 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 18 A 7.57 3.80 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 19 K 8.07 3.90 0.00 1.77 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 20 E 7.97 3.88 0.00 2.06 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 2.28 2.56 0.00 21 I 7.58 3.44 1.64 0.00 0.00 -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 0.33 0.61 0.47 0.00 0.00 22 I 7.72 3.69 1.99 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 1.50 0.54 0.89 0.00 0.00 23 E 8.48 4.09 0.00 1.94 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 2.32 2.31 0.00 24 R 7.71 4.06 0.00 1.93 1.98 0.00 3.35 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 25 A 7.10 4.13 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 26 E 8.98 4.55 0.00 2.01 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 2.29 2.26 0.00 27 V 7.64 4.59 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 0.95 0.00 0.00 0.55 0.00 0.00 28 I 8.71 4.89 1.81 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 1.22 0.76 0.92 0.00 0.00 29 Y 9.08 5.33 0.00 2.93 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 30 G 8.28 4.75 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 0.00 0.00 0.00 31 S 8.40 5.08 0.00 4.19 4.32 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 32 R 8.97 3.91 0.00 1.99 2.06 0.00 3.25 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 33 R 8.02 3.88 0.00 1.93 1.94 0.00 3.01 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 34 A 8.06 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.28 3.96 0.00 1.84 1.81 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.35 3.93 0.00 2.16 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 2.55 0.00 37 L 8.04 3.93 0.00 1.84 1.75 0.89 0.76 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 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0.00 0.00 0.00 0.00 0.00 115 L 8.51 4.03 0.00 1.73 1.67 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.36 4.54 0.00 4.03 3.97 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 0.00 117 E 8.29 4.66 0.00 2.26 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 2.27 2.29 0.00 118 V 7.82 5.26 2.31 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 0.93 0.00 0.00 1.04 0.00 0.00 119 A 8.71 4.70 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 0.00 120 V 8.58 4.37 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 0.80 0.00 0.00 0.97 0.00 0.00 121 V 8.91 4.40 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 0.99 0.00 0.00 1.00 0.00 0.00 122 D 8.90 4.77 0.00 2.75 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 0.00 123 C 8.91 4.17 0.00 3.19 3.09 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 *128 F 7.59 4.56 0.00 3.12 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 0.00 129 D 8.84 4.44 0.00 2.82 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 0.00 130 A 7.97 4.16 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 0.00 131 E 8.28 4.25 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 2.62 2.80 0.00 132 L 7.61 4.05 0.00 1.88 1.45 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.55 3.83 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 1.22 0.00 0.00 134 E 8.25 4.00 0.00 2.33 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 2.43 2.54 0.00 135 L 7.94 4.15 0.00 1.89 1.81 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.94 4.63 0.00 1.85 1.65 0.92 0.68 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 0.00 137 K 8.03 3.90 0.00 0.84 0.74 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.65 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.51 7.81 138 Y 7.62 4.79 0.00 2.88 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 0.00 139 R 7.39 4.75 0.00 1.74 1.80 0.00 3.54 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 140 H 8.74 4.93 0.00 3.28 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.85 5.18 0.00 1.46 1.53 0.99 0.54 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 0.00 142 L 8.87 5.06 0.00 1.86 1.58 1.11 0.87 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 0.00 143 I 8.53 4.72 1.57 0.00 0.00 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 1.19 0.54 0.65 0.00 0.00 144 L 9.10 4.63 0.00 1.56 1.62 0.94 0.47 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 0.00 145 A 9.14 5.20 1.03 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 0.00 0.00 146 D 8.51 5.55 0.00 2.85 2.68 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 0.00 147 S 9.34 4.18 0.00 3.85 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 0.00 148 H 8.24 4.71 0.00 3.21 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.01 4.04 0.00 3.00 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 0.00 150 P 0.00 4.39 0.00 2.01 2.00 0.00 2.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.62 0.00 151 L 8.44 4.35 0.00 1.79 1.98 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.88 3.89 0.00 2.12 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 2.30 2.39 0.00 153 R 7.96 3.96 0.00 1.76 2.03 0.00 3.34 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 154 L 8.12 4.39 0.00 2.05 1.72 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.54 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 0.00 156 K 8.46 5.30 0.00 1.63 1.87 0.00 1.80 0.00 0.00 2.61 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.28 7.81 157 R 7.60 4.10 0.00 1.87 1.81 0.00 3.21 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 158 R 8.52 4.50 0.00 1.81 1.81 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 159 V 9.37 4.75 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 0.90 0.00 0.00 0.94 0.00 0.00 160 V 8.65 4.75 2.32 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 1.06 0.00 0.00 1.09 0.00 0.00 161 L 9.00 5.00 0.00 1.61 1.56 0.93 0.32 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 0.00 162 L 9.15 4.80 0.00 1.57 1.59 0.99 0.69 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 0.00 163 E 9.33 5.01 0.00 1.96 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 2.27 0.00 164 N 8.95 4.21 0.00 2.85 2.81 0.00 0.00 6.74 6.69 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 0.00 165 L 7.86 3.97 0.00 1.62 1.62 0.91 0.99 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 0.00 166 C 9.44 3.77 0.00 3.05 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 *168 E 8.04 4.35 0.00 2.07 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 2.16 2.36 0.00 169 G 7.77 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 0.00 170 E 8.10 4.39 0.00 2.11 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 2.29 2.31 0.00 171 R 9.20 4.80 0.00 1.88 1.74 0.00 3.12 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 172 I 8.41 5.03 1.86 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 0.60 0.91 0.00 0.00 173 R 9.12 4.84 0.00 1.71 1.78 0.00 3.14 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 1.53 1.57 0.00 174 E 9.81 5.10 0.00 1.81 1.82 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 2.22 2.29 0.00 175 G 7.19 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 0.00 176 N 7.87 5.24 0.00 2.79 2.81 0.00 0.00 6.70 7.73 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 0.00 177 A 8.58 4.12 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 0.00 178 D 7.84 4.57 0.00 2.83 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 0.00 179 S 8.41 4.86 0.00 3.91 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 0.00 180 I 7.74 4.56 1.88 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 1.43 0.97 0.98 0.00 0.00 181 E 8.54 4.70 0.00 1.97 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 2.23 2.37 0.00 182 L 8.25 4.51 0.00 1.65 1.60 1.08 0.86 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 0.00 183 E 8.46 4.68 0.00 2.01 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 2.26 2.30 0.00 184 S 7.80 4.78 0.00 3.85 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 0.00 185 D 8.46 4.50 0.00 2.29 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 0.00 0.00 0.00 186 Y 7.67 4.88 0.00 3.22 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 0.00 187 T 8.48 4.99 4.20 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 1.18 0.00 0.00 188 I 8.83 4.78 1.88 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 1.23 0.63 0.93 0.00 0.00 189 I 8.62 4.75 1.58 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.48 0.77 0.00 0.00 190 F 9.47 5.08 0.00 3.03 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 0.00 191 V 8.11 4.28 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 0.65 0.00 0.00 0.83 0.00 0.00 192 E 8.14 4.05 0.00 1.77 1.82 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 2.11 2.19 0.00 193 R 8.87 3.91 0.00 1.92 2.02 0.00 2.93 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 194 E 8.31 4.18 0.00 2.00 1.93 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 2.30 2.19 0.00 195 V 7.97 3.89 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.