NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7050 8.4249 118.2207 52.7461 38.6313 173.6577 7 R 4.4743 8.3529 119.6325 54.8322 32.2007 174.4003 8 T 4.5235 9.1452 116.8454 62.1512 71.4465 173.2121 9 V 4.5455 8.2994 126.4335 61.0336 33.2656 174.7370 10 A 4.8328 8.8429 128.5818 49.9383 22.7857 174.3925 11 L 4.9997 8.4744 121.5817 53.2427 44.8121 174.7078 12 A 5.0975 9.0337 128.6787 50.2722 21.6961 175.2161 13 I 4.6024 8.5040 123.5507 58.8691 39.7317 174.6955 14 I 4.7318 8.4239 129.0120 60.1923 39.4818 171.5081 15 D 4.5968 8.9908 134.8214 53.8580 41.5533 173.5324 *17 Q 4.3280 8.1893 121.4730 55.5021 30.3770 175.7067 18 N 4.2320 8.9058 118.8435 56.9249 38.6124 177.5050 19 D 4.2537 8.2948 117.4422 56.5843 41.1784 178.1532 20 F 4.9532 8.0063 116.0648 56.8405 40.1049 177.4713 21 V 4.2182 7.6384 118.4645 63.7129 33.4615 175.9124 22 L 4.1912 8.0706 120.8124 53.4251 41.9678 174.6286 23 P 4.3239 0.0000 0.0000 64.4952 31.6406 176.9144 24 G 3.9174 8.9331 109.6493 45.4304 0.0000 173.7173 25 A 4.1958 7.9618 123.4555 51.2619 18.9807 176.8397 26 P 4.2332 0.0000 0.0000 65.0994 31.7948 177.0292 27 A 4.7431 7.3368 119.8075 51.5185 20.1807 176.2287 28 C 4.1354 7.8434 119.1379 61.6024 32.3543 173.3170 29 V 4.1428 9.0891 126.7690 61.5600 31.7604 176.0113 30 E 3.9489 9.2909 128.7863 59.7409 29.4326 179.3627 31 G 3.8854 7.8724 103.9002 46.5896 0.0000 175.1175 32 A 4.5444 7.7000 123.3040 51.8343 17.5656 179.7258 *34 G 3.9163 8.1422 110.7127 47.0937 0.0000 175.3648 35 T 4.2654 7.7942 109.0191 62.1377 69.1964 176.6486 36 V 3.5731 7.7917 122.0092 66.1011 31.3143 175.7069 37 P 4.2949 0.0000 0.0000 65.5696 31.0970 178.7988 38 V 3.5938 7.6992 116.5536 66.0100 31.5903 177.9274 39 I 3.6823 7.9682 119.4404 64.3682 36.8315 178.2469 40 A 4.1459 8.6263 122.1578 55.0252 18.1255 179.8292 41 G 3.5795 8.3793 104.5299 47.8609 0.0000 175.6166 42 L 4.0043 8.2596 123.1778 57.8898 42.1521 178.8707 43 L 3.9591 8.4745 120.4975 58.0735 41.9710 178.8080 44 A 3.9700 8.3896 121.2396 54.7253 18.2616 179.5503 45 K 3.6197 8.2878 118.1654 59.4499 32.2692 178.5428 46 A 3.7254 8.0531 121.2831 55.5844 18.1503 179.9282 47 R 3.8077 8.0610 115.9411 59.3116 29.8919 179.2450 48 A 3.9028 7.8333 119.6830 54.4095 18.4333 178.5685 49 E 4.0900 7.4784 114.7516 55.5182 29.8030 176.9189 50 G 4.0287 7.2817 107.0951 46.1685 0.0000 174.6646 51 W 5.0483 7.5967 128.1586 56.2171 30.2081 179.9467 *53 V 4.0046 8.6769 130.9659 63.6255 32.3870 172.1879 54 L 5.0809 9.0834 127.9315 53.3401 44.5404 175.3642 55 H 4.9188 9.3579 123.0402 54.6750 30.0505 174.3498 56 V 4.6884 8.8004 125.2186 61.4722 33.0998 175.2273 57 V 5.0798 8.6893 119.9078 59.9490 36.4864 174.4893 58 R 4.7335 9.1951 121.2846 54.8106 31.2169 177.4767 59 A 4.9155 7.7836 122.2560 51.4615 19.1724 175.3337 60 H 4.5805 9.4098 120.4196 54.5791 30.8488 176.6487 61 R 4.1355 9.0358 121.6359 56.2943 30.4999 177.8769 62 A 4.2368 8.8049 125.3113 55.3442 18.4474 178.1315 63 D 4.4721 8.0692 112.8030 53.9254 40.0880 177.3950 64 G 3.0969 8.1102 109.3472 45.3501 0.0000 175.6237 65 S 4.1224 8.0729 114.5974 60.1041 63.0905 174.7689 66 D 4.7533 7.6039 118.0015 52.5913 39.6801 175.9031 67 A 3.8120 7.0631 122.4790 51.8244 18.8266 178.0561 68 E 4.0641 8.3768 119.6513 56.0336 30.3896 178.4005 69 K 3.9168 8.6535 122.3434 59.7155 32.0569 179.2448 70 S 4.2784 8.1533 112.7805 60.5550 63.0601 175.3251 71 R 4.5915 8.0115 119.6905 55.6043 31.3479 176.9780 72 E 3.9762 8.0794 120.6942 59.3651 29.3420 178.1880 73 H 4.2705 8.2363 114.2201 58.6895 28.8742 177.0958 74 L 4.0508 7.4720 120.9851 57.0152 41.0798 177.7720 75 F 5.2080 8.0504 116.2425 56.6093 39.0410 175.6129 76 L 4.6337 7.7412 120.7106 53.4238 45.2408 175.5618 77 E 4.7514 8.5911 121.2091 54.1498 33.2772 173.6551 78 G 3.2784 9.0700 111.5010 44.8104 0.0000 177.4318 79 G 3.6773 9.4654 113.6007 45.3296 0.0000 170.8967 80 G 2.6705 7.2782 104.8437 43.8414 0.0000 172.2892 81 L 4.3735 7.0358 123.8419 54.6391 45.2615 177.0709 82 C 4.1558 9.2739 123.9585 60.7041 26.5541 173.6803 83 V 4.1812 7.3161 118.4762 62.2672 32.2734 174.7012 84 A 4.1905 8.5471 130.4101 54.2389 18.4268 177.8804 85 G 3.9962 9.0752 112.3012 45.3435 0.0000 173.7301 86 T 4.3075 7.6456 109.9799 60.1681 70.1227 174.1333 87 P 4.5442 0.0000 0.0000 64.9920 31.6921 179.3565 88 G 3.8430 7.8857 104.2817 47.5016 0.0000 175.0189 89 A 4.1482 7.6443 121.3805 53.4015 18.6720 177.7473 90 E 4.1280 7.7505 116.3699 55.7879 30.0955 176.7174 91 I 3.8937 8.2602 123.4397 61.4272 37.9229 176.5681 92 V 3.6603 8.4471 117.5827 61.1943 32.0587 175.5944 93 A 5.0280 7.8560 125.4692 53.5456 18.5792 177.6896 94 G 4.1463 9.5327 110.4272 45.3552 0.0000 174.3111 95 L 4.8517 7.5083 118.3541 54.2261 43.0963 176.5898 96 E 4.0818 8.1421 118.1824 55.7092 30.0347 175.2177 97 P 4.6252 0.0000 0.0000 62.4973 32.3395 175.8060 98 A 4.6415 9.0216 123.9639 49.9976 20.9636 176.6716 99 S 4.2256 8.4483 113.5933 60.4662 62.5599 174.7199 100 G 4.0472 9.0162 115.3581 45.2309 0.0000 173.4075 101 E 4.4100 7.7016 118.1595 56.2945 30.7506 176.4932 102 T 4.4608 8.6286 118.6878 62.6805 70.5846 174.0311 103 V 4.8106 8.3394 124.9910 61.0730 33.6457 174.2199 104 L 4.7116 8.9178 130.4227 53.2066 44.6640 174.9425 105 V 4.7740 8.4319 126.4539 61.5264 32.3070 174.8717 106 K 4.8882 9.1046 126.8957 55.4303 35.6960 176.6593 107 T 4.5158 8.6404 109.0852 61.5963 70.0307 173.3991 108 R 4.8851 7.3765 118.8596 53.3585 34.8025 174.7453 109 F 4.6563 8.4501 116.2982 61.1180 38.9088 176.1345 110 S 4.6079 8.0235 113.2728 57.6350 62.7966 173.9509 111 A 3.9655 8.7777 130.1630 54.2708 18.2010 177.9872 112 F 4.2760 8.1203 115.1133 56.3826 37.6855 175.5626 *114 G 3.8758 8.2905 114.3303 44.9038 0.0000 170.2254 115 T 4.7085 7.6929 108.4492 59.5137 71.9234 172.8433 116 E 4.4533 8.5473 117.0319 56.4468 30.0210 176.6532 117 C 3.9369 8.2940 122.2895 63.1683 31.5785 177.4743 118 D 4.9410 8.0641 117.9180 54.3427 40.2833 177.8168 *120 L 4.3035 8.1269 118.7086 54.3776 43.8542 179.4303 121 L 4.0731 8.2342 118.8838 57.6651 42.0337 179.7754 122 R 4.0544 8.4485 115.4608 58.9785 29.7725 178.7356 123 R 3.8859 8.1178 117.8683 59.1056 30.0898 177.1841 124 R 4.0226 7.7893 115.9896 56.8885 30.2784 176.7773 125 G 3.8955 8.0826 105.1189 46.3573 0.0000 173.8327 126 V 3.9541 7.8631 119.6101 62.9128 31.9543 175.3831 127 D 5.0520 9.3256 124.6462 53.1946 41.5894 175.2448 128 T 5.0492 7.8493 116.3543 61.8905 72.5827 172.1614 129 L 4.9814 9.0821 129.1917 53.2081 44.6732 174.8204 130 L 5.0184 8.9137 126.8629 53.3492 43.9793 175.5492 131 V 4.7671 8.6264 123.7189 61.1071 33.7325 174.5212 132 S 4.6862 9.1413 121.0408 57.0727 66.8120 171.9537 133 G 4.2230 7.9324 106.3620 44.5003 0.0000 173.3178 134 T 4.6710 8.5300 118.5525 60.3503 70.8807 173.2013 135 Q 4.7333 7.7740 123.3871 54.2483 31.7417 176.0630 136 Y 4.0002 8.8420 118.5616 60.9178 37.8488 177.3471 137 P 4.9440 0.0000 0.0000 62.9831 33.2190 175.7677 138 N 3.8687 8.0335 115.0135 53.6647 40.0053 176.3419 139 C 4.7431 8.4687 124.8994 62.9007 28.9840 174.9292 140 I 3.5858 7.4645 121.1459 64.3363 36.7646 178.2085 141 R 3.9972 8.1292 119.4788 59.4112 30.0805 178.8561 142 G 3.7429 8.3811 105.8555 48.2629 0.0000 175.8478 143 T 4.1937 8.1617 117.9490 66.1397 68.4354 176.9451 144 A 4.0308 8.4128 123.1771 55.2567 18.4103 179.8629 145 V 3.5988 8.2170 117.1989 66.2592 31.6138 178.0279 146 D 4.2390 8.1911 118.2721 57.1707 40.6670 178.4966 147 A 3.7244 8.1892 121.5120 55.0765 18.4439 179.3018 148 F 4.2383 8.5827 119.0623 61.6333 39.2084 177.2581 149 A 3.9012 8.1549 119.2040 54.6257 18.1611 178.5565 150 L 4.2007 7.2930 115.1180 54.6268 41.7730 177.2634 151 D 4.4559 7.5941 117.3947 54.5046 38.8425 173.9632 152 Y 4.1930 7.4162 116.9936 57.8985 38.7882 175.4036 153 D 4.6586 9.1078 123.7491 54.2301 42.1815 175.4364 154 V 4.8893 8.6233 123.1721 61.0197 34.7693 174.2009 155 V 4.6287 8.7716 127.1907 61.1019 34.5512 174.2670 156 V 4.2381 8.9046 129.6715 62.2234 32.9546 175.0894 157 V 4.4443 8.5215 129.4467 62.1252 31.0426 176.6664 158 T 4.6468 9.2931 120.5692 63.8905 69.0332 175.9353 159 D 4.6836 8.1629 118.4372 53.7326 39.9022 176.0434 160 A 4.6837 8.1557 121.4021 52.1512 20.1869 176.1223 161 C 5.8089 8.0118 112.1639 57.1751 31.7730 173.4807 162 S 4.9626 7.9951 113.4662 56.9911 67.0073 172.1403 163 A 5.0192 8.4040 121.0131 50.0883 22.5890 177.2863 164 R 4.1215 9.0419 116.8054 58.6047 30.5626 177.9701 165 T 4.7645 7.4247 106.4360 58.5911 73.1749 172.9340 166 P 4.3959 0.0000 0.0000 65.4591 31.3654 179.3165 167 G 3.5522 7.9858 104.5075 47.7567 0.0000 175.8327 168 V 3.6078 7.6990 120.0919 65.3613 31.4166 178.1149 169 A 3.4089 7.6697 120.2469 54.9710 18.1413 179.4379 170 E 3.7349 8.2831 117.7305 59.5038 29.5230 179.8491 171 S 4.0568 8.0034 114.3211 61.3735 62.9939 176.2612 172 N 4.2663 7.9770 120.1143 56.0223 38.0414 177.3391 173 I 3.6204 7.3075 120.1854 64.5146 37.4821 177.8503 174 N 4.4845 8.3018 117.4817 56.2642 38.0696 177.5164 175 D 4.2392 7.7293 117.1380 54.9088 40.8811 177.6291 *177 R 4.7548 8.2269 119.6974 56.4644 31.9906 178.1341 178 A 4.1320 7.6587 121.6850 51.8200 17.1969 178.2446 *180 G 3.8781 8.0925 106.6975 46.2603 0.0000 173.2768 181 I 4.1616 7.0357 120.9457 60.5893 38.9177 175.1069 182 T 4.4025 8.3123 123.7266 63.4089 69.8534 173.6352 183 C 5.3411 8.6094 122.9077 58.3809 31.1202 173.5900 184 V 4.5893 8.5915 116.2477 59.4273 36.6029 173.1187 185 P 4.9466 0.0000 0.0000 61.4875 32.6618 177.1773 186 L 4.0014 9.3710 122.0396 58.9740 41.5459 179.4079 187 T 4.0027 7.9811 107.3016 63.8956 69.1005 175.0571 188 A 4.4512 8.0255 122.4735 52.2785 19.1613 178.6279 189 L 3.9442 7.8880 120.3452 58.0970 42.2307 178.4321 190 D 4.4690 8.2128 118.3987 57.7130 40.5694 178.5275 191 D 4.3706 8.0226 117.5285 57.3444 41.0693 178.5219 192 V 3.7515 7.7681 118.5783 66.0745 31.3485 178.1449 193 L 4.0391 8.0672 117.3531 57.2974 41.5278 178.8113 194 A 4.1930 7.9269 119.6395 53.8487 18.4658 177.5169 195 R 4.0561 7.5558 121.0930 56.8959 30.2799 176.2127 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 6 N 8.42 4.71 0.00 2.89 2.92 0.00 0.00 6.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.35 4.47 0.00 1.88 1.91 0.00 3.18 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 8 T 9.15 4.52 4.42 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 1.30 0.00 0.00 9 V 8.30 4.55 0.71 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 -0.44 0.00 0.00 0.47 0.00 0.00 10 A 8.84 4.83 1.13 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 11 L 8.47 5.00 0.00 1.89 1.61 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.03 5.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.50 4.60 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 1.21 1.29 0.90 0.00 0.00 14 I 8.42 4.73 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.86 0.00 0.00 15 D 8.99 4.60 0.00 2.61 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 0.00 0.00 0.00 0.00 *17 Q 8.19 4.33 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 18 N 8.91 4.23 0.00 2.99 2.88 0.00 0.00 7.21 8.83 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 19 D 8.29 4.25 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.01 4.95 0.00 3.28 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 21 V 7.64 4.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.10 0.00 0.00 22 L 8.07 4.19 0.00 1.75 1.58 0.91 0.89 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 23 P 0.00 4.32 0.00 2.04 2.02 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 24 G 8.93 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 25 A 7.96 4.20 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 26 P 0.00 4.23 0.00 2.14 2.14 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 27 A 7.34 4.74 1.18 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 0.00 0.00 28 C 7.84 4.14 0.00 3.26 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 29 V 9.09 4.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.12 0.00 0.00 30 E 9.29 3.95 0.00 2.33 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 2.43 2.42 0.00 31 G 7.87 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 32 A 7.70 4.54 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 *34 G 8.14 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 35 T 7.79 4.27 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 1.35 0.00 0.00 36 V 7.79 3.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.29 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 38 V 7.70 3.59 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 1.24 0.00 0.00 0.95 0.00 0.00 39 I 7.97 3.68 1.88 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 1.54 0.59 0.91 0.00 0.00 40 A 8.63 4.15 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 41 G 8.38 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.26 4.00 0.00 1.87 1.89 1.09 0.65 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 43 L 8.47 3.96 0.00 1.87 1.91 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.39 3.97 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 45 K 8.29 3.62 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.87 1.24 7.81 46 A 8.05 3.73 1.62 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 0.00 0.00 47 R 8.06 3.81 0.00 1.96 1.95 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 48 A 7.83 3.90 1.14 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 0.00 0.00 49 E 7.48 4.09 0.00 1.16 1.20 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 1.74 1.47 0.00 50 G 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0.00 0.00 0.00 0.00 0.00 128 T 7.85 5.05 4.10 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 1.10 0.00 0.00 129 L 9.08 4.98 0.00 1.53 1.47 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.91 5.02 0.00 1.51 1.51 0.61 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.63 4.77 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 0.93 0.00 0.00 0.92 0.00 0.00 132 S 9.14 4.69 0.00 4.02 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 0.00 133 G 7.93 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 0.00 0.00 0.00 0.00 134 T 8.53 4.67 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 1.07 0.00 0.00 135 Q 7.77 4.73 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.47 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 136 Y 8.84 4.00 0.00 3.05 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 0.00 137 P 0.00 4.94 0.00 2.09 2.14 0.00 3.25 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 138 N 8.03 3.87 0.00 2.26 1.42 0.00 0.00 6.88 7.83 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 0.00 139 C 8.47 4.74 0.00 2.98 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 0.00 140 I 7.46 3.59 1.96 0.00 0.00 0.67 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 0.57 0.70 0.00 0.00 141 R 8.13 4.00 0.00 2.05 2.04 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 142 G 8.38 3.74 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 0.00 143 T 8.16 4.19 4.33 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 1.28 0.00 0.00 144 A 8.41 4.03 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 0.00 145 V 8.22 3.60 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 1.17 0.00 0.00 0.96 0.00 0.00 146 D 8.19 4.24 0.00 2.93 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 0.00 0.00 0.00 0.00 147 A 8.19 3.72 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 0.00 148 F 8.58 4.24 0.00 3.21 3.34 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 0.00 149 A 8.15 3.90 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 0.00 150 L 7.29 4.20 0.00 1.78 1.69 0.49 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.59 4.46 0.00 2.59 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 0.00 152 Y 7.42 4.19 0.00 3.11 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 0.00 153 D 9.11 4.66 0.00 2.75 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 0.00 154 V 8.62 4.89 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 1.02 0.00 0.00 1.11 0.00 0.00 155 V 8.77 4.63 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 0.96 0.00 0.00 0.91 0.00 0.00 156 V 8.90 4.24 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 0.94 0.00 0.00 0.95 0.00 0.00 157 V 8.52 4.44 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 0.95 0.00 0.00 0.95 0.00 0.00 158 T 9.29 4.65 4.34 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 1.28 0.00 0.00 159 D 8.16 4.68 0.00 2.83 2.85 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 0.00 160 A 8.16 4.68 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 0.00 161 C 8.01 5.81 0.00 2.10 1.65 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 0.00 162 S 8.00 4.96 0.00 3.79 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 0.00 163 A 8.40 5.02 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 0.00 164 R 9.04 4.12 0.00 1.83 2.09 0.00 3.27 0.00 0.00 3.96 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 165 T 7.42 4.76 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 1.22 0.00 0.00 166 P 0.00 4.40 0.00 2.16 2.12 0.00 3.60 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 2.11 2.15 0.00 167 G 7.99 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 0.00 0.00 0.00 168 V 7.70 3.61 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 1.00 0.00 0.00 0.92 0.00 0.00 169 A 7.67 3.41 1.13 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 0.00 170 E 8.28 3.73 0.00 2.06 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 2.24 2.45 0.00 171 S 8.00 4.06 0.00 4.01 4.06 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 0.00 172 N 7.98 4.27 0.00 2.69 2.92 0.00 0.00 7.00 7.46 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 0.00 173 I 7.31 3.62 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 -0.12 0.85 0.00 0.00 174 N 8.30 4.48 0.00 2.79 2.82 0.00 0.00 7.09 8.51 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 0.00 175 D 7.73 4.24 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.75 0.00 1.92 1.99 0.00 3.24 0.00 0.00 2.77 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 178 A 7.66 4.13 1.29 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 0.00 0.00 0.00 *180 G 8.09 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 0.00 181 I 7.04 4.16 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.93 0.00 0.00 182 T 8.31 4.40 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 1.22 0.00 0.00 183 C 8.61 5.34 0.00 2.79 2.85 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 0.00 184 V 8.59 4.59 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 0.72 0.00 0.00 0.95 0.00 0.00 185 P 0.00 4.95 0.00 2.20 1.99 0.00 3.64 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 2.11 2.08 0.00 186 L 9.37 4.00 0.00 1.75 1.71 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.98 4.00 4.26 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 1.23 0.00 0.00 188 A 8.03 4.45 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 0.00 189 L 7.89 3.94 0.00 1.87 1.90 0.93 1.47 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 0.00 190 D 8.21 4.47 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 D 8.02 4.37 0.00 2.87 2.75 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 0.00 192 V 7.77 3.75 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 1.04 0.00 0.00 0.95 0.00 0.00 193 L 8.07 4.04 0.00 1.85 1.76 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.93 4.19 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 0.00 195 R 7.56 4.06 0.00 1.93 1.92 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.