NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3777 8.3044 120.3487 55.2456 33.3358 174.2210 2 E 4.4089 8.5960 126.3818 53.6686 31.8906 171.6660 3 E 4.2638 8.7386 127.0016 56.0701 31.0809 176.3112 4 V 4.1878 8.2760 122.4965 61.8395 33.4608 175.9048 5 K 4.3234 7.8593 122.8433 55.9347 33.2478 175.7570 6 K 5.1596 8.6806 125.5850 54.9643 35.8158 174.9624 7 D 4.9286 9.1117 122.3836 52.5295 45.0440 174.3576 8 V 4.2246 7.5411 119.2794 61.5072 32.8683 174.5495 9 Y 4.8284 8.9988 125.6334 56.4895 41.2508 174.8042 10 S 4.9883 8.8121 116.2977 56.8957 67.5380 173.2568 11 V 4.6863 8.9519 123.9756 61.0728 33.6104 174.2991 12 W 5.3852 9.4498 127.6155 54.9363 32.1761 174.3748 13 A 5.0753 9.4435 127.1724 51.1175 20.0085 175.9969 14 L 5.1195 9.1316 123.3079 52.2876 44.2607 174.7920 15 P 5.1658 0.0000 0.0000 62.3511 32.7031 175.4849 16 D 4.6798 9.0316 121.2946 53.2281 39.8960 177.2549 17 E 4.1230 8.5569 118.1502 58.9856 29.3720 178.9220 18 E 4.1437 8.2415 118.2141 58.6353 30.1197 178.2215 19 S 4.1151 10.0926 113.7467 59.5820 63.5724 175.9597 20 E 3.9846 8.0486 123.6393 58.9918 29.2767 176.6340 21 P 4.1714 0.0000 0.0000 65.7196 31.4571 178.1992 22 R 3.7032 7.7293 116.4694 59.6526 29.8376 178.3426 23 F 4.3107 7.4234 116.7801 60.4380 38.7457 177.9407 24 K 3.8609 8.1201 118.1786 59.1315 31.8639 179.0406 25 K 3.7627 8.1553 120.2236 59.5988 32.0716 178.2583 26 L 3.8895 7.6906 120.0588 58.6863 42.0623 178.9708 27 M 3.9752 8.1700 118.4417 57.8377 31.6331 178.2431 28 E 3.9698 8.2966 119.7937 58.7663 29.8829 178.3949 29 A 4.0538 8.1529 120.9633 54.8244 18.4460 179.6436 30 L 4.1099 8.0608 117.7996 57.9804 41.5079 179.5520 31 R 4.1800 7.7354 116.7505 58.5102 30.0089 177.9672 32 S 4.3589 7.4407 112.2879 60.9940 62.8292 175.2502 33 E 3.8699 8.0797 120.6833 59.8665 29.8605 176.8771 34 F 4.3207 8.4130 120.7526 57.2813 38.9475 172.8943 35 T 4.7499 8.9137 120.5053 61.2423 70.1566 171.5172 36 G 3.9608 9.0574 105.2023 42.8332 0.0000 172.1447 37 P 4.4587 0.0000 0.0000 62.6742 31.9409 175.4238 38 R 4.5696 8.3630 119.8334 55.0645 31.2980 175.4579 39 F 5.1231 7.8096 117.9197 55.6231 40.6631 174.2671 40 V 3.8989 8.4502 115.5057 60.0424 32.2639 174.6646 41 P 4.2232 0.0000 0.0000 63.3534 31.7213 175.0908 42 H 4.7975 7.8016 114.4528 54.8341 31.9766 172.5604 43 V 4.6072 8.5296 119.2993 60.1027 33.9577 174.7635 44 T 4.6944 8.5287 125.7537 64.1468 68.2521 174.8601 45 V 4.2800 9.1894 119.8741 62.2957 34.0839 175.6843 46 A 4.6792 7.6852 119.8273 50.6900 22.6361 175.2475 47 V 4.7795 8.1471 118.9881 61.2219 34.5564 175.5194 48 S 4.6140 9.0782 122.8949 57.2089 65.0384 172.9536 49 A 4.4440 8.0233 122.9939 52.0539 20.0013 174.9603 50 Y 4.6617 8.6066 113.6994 57.7465 38.9085 175.4287 51 L 5.2232 9.0911 124.8013 53.0269 45.6321 176.7009 52 T 4.8829 9.2764 112.7557 60.2299 70.7346 175.6494 53 A 3.9557 8.8132 122.8693 55.4976 18.1824 179.1922 54 D 4.2901 8.7497 117.6268 57.7610 40.9744 179.0095 55 E 3.8792 7.6343 118.0514 59.4470 29.5025 179.2229 56 A 3.6155 8.0119 120.8666 54.9185 18.2278 179.4764 57 K 3.8261 8.2125 118.2655 59.7837 32.3126 179.0518 58 K 4.1174 8.2071 118.8509 59.7620 32.0312 179.0224 59 M 4.0356 8.5234 118.8865 58.3396 32.1170 178.1520 60 F 4.4039 8.5310 121.2872 61.4456 39.5854 176.7037 61 E 3.7244 8.7054 118.5721 59.7204 29.3840 179.4894 62 S 3.8480 8.0754 112.5574 61.2883 62.4166 176.0345 63 A 4.0353 7.8111 123.1869 54.9725 18.0332 179.0131 64 C 4.0798 8.1567 114.6759 60.2014 40.2887 175.7473 65 D 4.4468 8.5969 120.3495 56.6667 40.5394 178.1525 66 G 3.8676 7.7661 102.9035 43.5954 0.0000 172.9875 67 L 4.6260 7.2139 123.0062 52.8455 43.7579 175.4609 68 K 4.5876 8.3537 124.4713 54.9414 34.2394 175.9704 69 A 4.4532 8.4934 124.3692 53.3142 19.0708 176.0717 70 Y 5.0918 8.7568 117.7797 55.9410 42.5738 173.7141 71 T 4.9032 8.8138 115.3085 61.6703 70.6915 173.9567 72 A 4.7518 8.3782 127.9313 50.3001 22.4175 175.2088 73 T 5.0528 8.0173 115.3199 61.4642 72.8957 173.5222 74 V 3.9802 9.1337 126.7596 63.2561 31.9214 175.9377 75 D 4.4909 9.1552 129.3355 56.2482 41.4208 176.1945 76 R 4.7937 7.5086 111.5984 56.6203 32.9065 172.3118 77 V 4.3333 8.6916 120.0536 61.8126 32.2370 175.0959 78 S 4.6056 8.4558 122.7071 56.6540 65.7071 172.2590 79 T 5.4522 7.4739 116.9461 60.7275 72.1679 173.6722 80 G 5.0271 8.7240 109.2247 44.2514 0.0000 172.1935 81 T 4.6897 8.8739 108.3251 61.2469 69.6920 173.1622 82 F 5.0744 7.4755 116.6921 55.0173 41.6461 174.7433 83 F 4.1683 9.1721 121.2805 60.6878 38.7511 176.4763 84 F 4.1147 7.4917 114.9489 58.2280 39.7524 175.8011 85 Q 4.2945 7.0034 119.5995 54.1666 28.4736 173.6199 86 C 4.3893 7.2731 120.6827 59.6521 32.7345 172.6502 87 V 4.7960 7.8850 114.2236 60.9102 34.6127 174.2361 88 F 5.2365 8.0606 121.1546 55.6317 41.8591 173.4677 89 L 4.7712 8.6664 121.3982 53.6297 42.6464 175.9505 90 L 4.5384 8.7654 128.0983 55.1332 42.9591 176.4016 91 L 5.0995 8.4047 126.4603 53.2368 43.8247 176.4628 92 Q 4.1832 8.7563 121.1587 55.4955 28.9916 178.3870 93 T 4.2435 8.1872 117.8373 61.4855 68.3832 175.2878 94 T 4.2071 7.5543 112.4917 61.8136 71.4978 171.7538 95 P 4.1334 0.0000 0.0000 66.5140 30.9263 177.9594 96 E 3.8147 8.1623 117.9723 58.8717 29.3452 179.6006 97 V 3.5992 7.1280 115.7782 66.4958 31.8412 177.6608 98 M 4.4344 8.7269 118.6679 58.5666 31.7000 178.4137 99 E 3.8982 9.0908 119.1007 59.4621 29.4402 179.4010 100 A 3.8541 7.5697 120.6968 54.6183 18.5261 178.1290 101 G 3.3065 7.5322 107.1504 44.9335 0.0000 173.8643 102 E 4.4912 8.0564 114.3904 54.0007 33.8058 178.1359 *114 T 4.2007 8.2041 116.6934 62.5996 69.6966 172.1171 115 P 4.3748 0.0000 0.0000 62.0167 31.9420 174.6868 116 Y 4.3969 8.8332 124.6070 58.6618 38.3957 175.6268 117 M 4.2006 8.2038 128.8447 52.1730 31.4157 171.8812 118 P 4.0256 0.0000 0.0000 63.2269 32.5014 175.2154 119 H 5.1735 8.3711 117.0437 54.5937 32.1267 172.3916 120 L 4.8493 8.6353 122.3311 52.2091 43.5760 175.5982 121 S 4.6414 8.6007 122.6720 59.1553 62.9098 174.3181 122 L 4.3208 8.8943 124.0334 55.9050 43.3259 176.8568 123 L 4.7147 7.5803 118.5704 53.5010 46.0093 174.3747 124 Y 4.6011 7.8862 121.5600 56.2277 40.0333 174.7722 125 A 4.3478 7.4620 122.9460 51.7162 23.6989 175.3241 126 E 4.7327 9.1705 119.5093 54.8724 30.0032 175.7278 127 L 4.8788 8.0597 123.1918 52.3962 45.0363 177.4159 128 T 4.2371 8.1432 111.9630 61.2274 70.9122 175.2720 129 E 3.9167 8.6747 121.3557 59.3659 29.4997 178.4273 130 E 3.9048 8.0737 118.6975 59.5321 29.8761 178.4633 131 E 4.2963 8.1701 118.4403 59.1896 29.4636 179.3707 132 K 3.7700 8.2327 119.7475 59.5169 32.3356 178.8226 133 K 3.8783 8.0326 118.6520 59.5670 31.8581 178.9147 134 N 4.3535 8.3923 116.3257 56.4194 38.6224 177.1911 135 A 3.2487 7.9784 122.2924 54.9010 18.3127 179.3446 136 Q 3.6977 7.9374 117.9331 59.4563 29.1081 178.5770 137 E 4.2216 8.1741 119.5380 59.2757 29.5328 179.1422 138 K 3.9622 8.8960 120.1137 59.1748 32.1035 178.8011 139 A 3.8403 7.6945 121.1890 55.4607 18.4737 179.3092 140 Y 4.1023 7.4160 113.7231 61.3036 37.6101 178.9539 141 T 4.0502 7.9485 116.3608 66.6197 68.6536 176.4118 142 L 4.4141 7.8708 119.6625 56.3074 42.8187 177.1549 143 D 4.6229 8.1187 118.5517 53.1073 42.0894 175.2911 144 S 4.6191 8.6640 118.4427 59.2236 63.6933 175.6291 145 S 4.7739 7.2714 115.3633 58.2103 63.3461 175.4717 146 L 4.1397 7.8056 122.0740 58.6160 41.2399 177.6800 147 D 4.5809 8.2058 118.6315 55.9737 41.0600 177.6528 148 G 4.0370 9.1587 113.1339 44.9722 0.0000 173.4180 149 L 4.1677 8.1360 123.4361 55.4969 42.9884 175.7957 150 S 5.5859 8.8038 122.2165 56.9808 65.3497 173.3279 151 F 5.0609 8.8502 117.8575 55.4829 41.8210 173.0548 152 R 4.5831 9.0071 120.9367 55.7110 31.8523 175.2237 153 L 5.2081 9.0345 127.1861 52.0220 42.9848 175.8470 154 N 5.1453 8.2879 122.0337 51.9996 38.8827 174.0568 155 R 5.1342 7.8762 115.6648 56.1386 34.8161 173.7590 156 L 5.6271 9.3095 121.0948 53.1029 45.9779 175.3840 157 A 5.1207 9.2957 122.5206 50.1742 22.7381 174.7708 158 L 4.2037 8.2049 124.7167 53.8405 43.3842 175.2993 159 C 4.9947 8.6723 123.1276 57.8177 33.2098 172.8917 160 K 4.4007 8.4176 120.6025 54.8653 33.9019 176.0536 161 T 3.6212 7.3594 113.0049 59.7075 70.1861 172.8596 162 D 4.3472 8.6312 128.0619 54.4813 40.1574 176.7124 163 T 3.9319 8.3603 114.6579 63.1070 68.5578 174.5518 164 E 4.6706 8.7443 120.4558 56.3539 30.1511 175.6984 165 D 4.7184 8.6122 121.5370 52.6414 40.4992 176.3806 166 K 3.8983 8.2235 123.0679 56.7778 31.9252 178.0717 167 T 4.1422 8.2923 110.1488 61.0471 69.8780 175.5123 168 L 2.9132 7.7789 120.3773 55.0959 40.0231 176.1026 169 E 4.0690 7.7924 120.0401 59.7137 29.4710 178.7796 170 T 4.1407 8.2494 114.7483 65.7911 68.7964 175.1187 171 W 4.8054 7.9282 121.6908 56.7085 29.7279 175.8634 172 E 4.7482 8.8062 120.9205 55.3109 33.0093 174.1611 173 T 4.4990 8.4112 119.3359 62.8708 68.8595 174.8735 174 V 3.9755 8.7677 127.5993 63.9617 32.5411 176.2337 175 A 4.7856 7.3544 120.8114 50.3598 22.7678 175.1165 176 V 5.3267 8.3694 111.3349 59.9742 35.9883 174.2327 177 C 5.0989 9.4233 117.2578 53.7620 45.2290 173.1074 178 N 5.1079 8.8521 118.8785 53.4236 38.9846 174.5889 179 L 4.6363 8.5982 122.8377 53.7503 43.7401 175.9254 180 N 4.8824 8.5181 118.7414 51.0954 40.6428 173.7894 181 P 4.4015 0.0000 0.0000 63.4891 31.0156 175.8912 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 1 M 8.30 4.38 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 E 8.60 4.41 0.00 1.99 1.78 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 2.17 2.39 0.00 3 E 8.74 4.26 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 4 V 8.28 4.19 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 0.72 0.00 0.00 0.93 0.00 0.00 5 K 7.86 4.32 0.00 1.88 1.74 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.49 7.81 6 K 8.68 5.16 0.00 1.77 1.89 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 7 D 9.11 4.93 0.00 2.12 2.13 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 8 V 7.54 4.22 1.69 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 0.94 0.00 0.00 0.14 0.00 0.00 9 Y 9.00 4.83 0.00 2.78 2.65 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 10 S 8.81 4.99 0.00 3.26 3.63 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 11 V 8.95 4.69 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 1.26 0.00 0.00 0.99 0.00 0.00 12 W 9.45 5.39 0.00 3.26 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 13 A 9.44 5.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.13 5.12 0.00 1.68 1.69 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 5.17 0.00 2.32 2.21 0.00 3.91 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 2.10 2.01 0.00 16 D 9.03 4.68 0.00 2.96 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 17 E 8.56 4.12 0.00 1.98 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 0.00 2.34 2.36 0.00 18 E 8.24 4.14 0.00 2.00 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 2.31 2.42 0.00 19 S 10.09 4.12 0.00 3.51 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 20 E 8.05 3.98 0.00 2.26 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 2.41 0.00 21 P 0.00 4.17 0.00 2.11 2.06 0.00 3.66 0.00 0.00 3.74 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 22 R 7.73 3.70 0.00 1.57 1.51 0.00 2.91 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 23 F 7.42 4.31 0.00 3.03 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 24 K 8.12 3.86 0.00 1.95 1.80 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.55 7.81 25 K 8.16 3.76 0.00 1.75 1.91 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 26 L 7.69 3.89 0.00 2.00 1.72 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.17 3.98 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 28 E 8.30 3.97 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 29 A 8.15 4.05 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 30 L 8.06 4.11 0.00 1.66 1.70 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.74 4.18 0.00 1.91 2.14 0.00 3.54 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 32 S 7.44 4.36 0.00 3.95 3.84 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 0.00 0.00 0.00 33 E 8.08 3.87 0.00 1.89 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 1.47 1.77 0.00 34 F 8.41 4.32 0.00 3.27 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 35 T 8.91 4.75 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 1.30 0.00 0.00 36 G 9.06 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 0.00 0.00 0.00 37 P 0.00 4.46 0.00 2.31 2.18 0.00 4.02 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 38 R 8.36 4.57 0.00 1.80 1.92 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 39 F 7.81 5.12 0.00 3.43 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 40 V 8.45 3.90 2.17 0.00 0.00 0.00 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 1.22 0.00 0.00 41 P 0.00 4.22 0.00 1.94 1.87 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 42 H 7.80 4.80 0.00 2.84 3.08 0.00 5.39 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.53 4.61 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 1.25 0.00 0.00 1.00 0.00 0.00 44 T 8.53 4.69 4.31 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 1.44 0.00 0.00 45 V 9.19 4.28 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 1.14 0.00 0.00 1.11 0.00 0.00 46 A 7.69 4.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.78 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 0.77 0.00 0.00 0.89 0.00 0.00 48 S 9.08 4.61 0.00 3.84 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 49 A 8.02 4.44 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 50 Y 8.61 4.66 0.00 2.89 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 51 L 9.09 5.22 0.00 1.61 1.48 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 T 9.28 4.88 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 1.31 0.00 0.00 53 A 8.81 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 54 D 8.75 4.29 0.00 2.80 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 55 E 7.63 3.88 0.00 2.04 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 2.32 2.33 0.00 56 A 8.01 3.62 0.33 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 57 K 8.21 3.83 0.00 1.76 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 58 K 8.21 4.12 0.00 1.92 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 59 M 8.52 4.04 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 60 F 8.53 4.40 0.00 3.04 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 61 E 8.71 3.72 0.00 2.10 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 2.41 0.00 62 S 8.08 3.85 0.00 3.91 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 63 A 7.81 4.04 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 64 C 8.16 4.08 0.00 2.69 2.90 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 65 D 8.60 4.45 0.00 2.61 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 66 G 7.77 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 0.00 0.00 0.00 67 L 7.21 4.63 0.00 1.65 1.63 1.03 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 68 K 8.35 4.59 0.00 1.92 1.79 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.37 7.81 69 A 8.49 4.45 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 70 Y 8.76 5.09 0.00 3.11 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 71 T 8.81 4.90 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 1.14 0.00 0.00 72 A 8.38 4.75 0.53 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 73 T 8.02 5.05 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 1.33 0.00 0.00 74 V 9.13 3.98 2.43 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 1.08 0.00 0.00 1.25 0.00 0.00 75 D 9.16 4.49 0.00 2.76 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.51 4.79 0.00 1.98 2.05 0.00 3.19 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 77 V 8.69 4.33 1.63 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 0.38 0.00 0.00 0.39 0.00 0.00 78 S 8.46 4.61 0.00 3.55 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 79 T 7.47 5.45 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 1.19 0.00 0.00 80 G 8.72 5.03 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 0.00 81 T 8.87 4.69 4.36 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 1.30 0.00 0.00 82 F 7.48 5.07 0.00 3.27 3.19 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 0.00 0.00 0.00 0.00 83 F 9.17 4.17 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.49 4.11 0.00 3.07 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 85 Q 7.00 4.29 0.00 1.37 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.66 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 86 C 7.27 4.39 0.00 2.85 2.90 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 87 V 7.88 4.80 1.90 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 0.77 0.00 0.00 0.67 0.00 0.00 88 F 8.06 5.24 0.00 3.10 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 89 L 8.67 4.77 0.00 1.61 1.68 0.83 0.22 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 90 L 8.77 4.54 0.00 1.85 1.73 1.14 0.50 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.98 3.25 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.70 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 137 E 8.17 4.22 0.00 2.24 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 2.49 0.00 138 K 8.90 3.96 0.00 2.12 2.05 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.92 1.60 7.81 139 A 7.69 3.84 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 0.00 140 Y 7.42 4.10 0.00 3.30 2.96 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 0.00 141 T 7.95 4.05 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 1.23 0.00 0.00 142 L 7.87 4.41 0.00 1.71 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.12 4.62 0.00 2.58 2.43 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 0.00 144 S 8.66 4.62 0.00 4.06 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 0.00 145 S 7.27 4.77 0.00 4.13 3.99 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 0.00 146 L 7.81 4.14 0.00 1.99 1.82 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.21 4.58 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.16 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 0.00 149 L 8.14 4.17 0.00 2.00 1.75 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.80 5.59 0.00 3.82 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 0.00 151 F 8.85 5.06 0.00 3.21 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 0.00 152 R 9.01 4.58 0.00 2.05 1.99 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 153 L 9.03 5.21 0.00 0.40 1.23 0.36 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.29 5.15 0.00 2.84 3.00 0.00 0.00 5.95 7.66 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 0.00 155 R 7.88 5.13 0.00 1.85 1.92 0.00 3.14 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 156 L 9.31 5.63 0.00 1.72 1.94 0.98 0.89 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 0.00 157 A 9.30 5.12 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 0.00 158 L 8.20 4.20 0.00 0.27 0.86 0.53 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 159 C 8.67 4.99 0.00 1.93 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 0.00 0.00 0.00 160 K 8.42 4.40 0.00 1.37 1.36 0.00 1.45 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.43 0.84 7.81 161 T 7.36 3.62 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 -0.30 0.00 0.00 162 D 8.63 4.35 0.00 2.77 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 0.00 163 T 8.36 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 0.78 0.00 0.00 164 E 8.74 4.67 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 2.31 2.25 0.00 165 D 8.61 4.72 0.00 2.73 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.22 3.90 0.00 1.13 0.74 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.74 1.04 7.81 167 T 8.29 4.14 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 1.17 0.00 0.00 168 L 7.78 2.91 0.00 1.74 1.31 0.82 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.79 4.07 0.00 1.93 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 2.36 2.28 0.00 170 T 8.25 4.14 4.85 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 1.39 0.00 0.00 171 W 7.93 4.81 0.00 3.38 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 0.00 172 E 8.81 4.75 0.00 1.97 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 2.28 2.21 0.00 173 T 8.41 4.50 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 1.16 0.00 0.00 174 V 8.77 3.98 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 0.58 0.00 0.00 0.90 0.00 0.00 175 A 7.35 4.79 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 0.00 176 V 8.37 5.33 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 0.84 0.00 0.00 1.02 0.00 0.00 177 C 9.42 5.10 0.00 2.81 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 0.00 178 N 8.85 5.11 0.00 2.65 2.81 0.00 0.00 6.95 7.85 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 0.00 179 L 8.60 4.64 0.00 1.58 1.71 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.52 4.88 0.00 2.64 2.72 0.00 0.00 6.62 8.03 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 0.00 181 P 0.00 4.40 0.00 2.18 2.09 0.00 3.80 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 2.01 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.