NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1443 8.2644 123.5827 52.1849 19.9628 175.5773 *2 T 4.0346 7.9941 113.0734 62.1045 68.1709 172.8980 3 T 4.5493 7.9903 116.2089 60.6189 70.9861 174.6284 4 Y 4.5660 8.2216 120.0666 56.9524 37.9458 175.5719 5 T 4.1992 7.5715 116.3393 62.3857 70.1033 175.2603 6 S 4.0172 8.8674 120.2937 58.9220 62.8611 174.6850 7 I 3.6792 8.7287 126.9516 64.2022 37.5196 177.2672 8 A 3.9951 8.1297 121.1298 55.4627 18.0831 179.1595 9 N 4.2722 7.9241 114.1602 56.4925 38.6393 177.8522 10 V 3.6659 7.7579 119.0716 66.0541 31.4941 177.8727 11 I 3.6142 7.9163 118.8735 64.3078 37.0515 178.1063 12 K 4.1072 7.8265 117.4714 58.0970 32.1752 178.1635 13 E 4.1623 7.7167 118.5783 56.5546 30.2117 176.6228 14 R 2.0000 6.7594 118.9790 55.6520 30.4416 175.6671 15 R 4.3955 5.8400 122.6116 53.7276 33.4781 175.4804 16 S 4.3642 8.5401 117.2719 58.9387 63.0646 173.9635 17 V 4.2824 8.9198 126.1272 61.0641 33.1977 175.3635 18 R 4.4805 8.1128 122.7208 55.5641 32.2727 175.5150 19 T 4.2587 7.0120 113.6829 61.3401 71.5248 173.0394 20 F 5.2265 8.4386 123.6666 55.7370 42.5019 174.7209 21 T 4.4996 8.4887 113.1038 60.9225 69.9142 174.6945 22 D 4.6513 8.4834 119.8318 54.4390 41.1915 177.0821 23 K 3.8052 7.4172 120.6630 56.3982 32.5726 176.0963 24 A 4.1604 8.5500 128.7459 52.2486 18.8784 176.9718 25 V 4.5199 8.2834 116.5595 59.7253 33.5465 176.0747 26 E 4.2675 8.7392 124.8730 55.3628 30.9912 177.1716 27 K 3.8342 8.8181 125.0772 60.2225 32.1496 178.3588 28 D 4.3534 8.0778 118.2146 57.0199 40.6853 178.3647 29 L 3.9384 7.8737 120.4456 58.1485 42.1464 178.6746 30 L 4.1059 7.8092 118.7177 58.1449 41.6252 179.7475 31 I 3.7288 8.0052 119.6417 64.1310 36.9659 177.8941 32 E 3.9584 8.3949 120.3236 59.5734 29.5005 178.9801 33 L 3.9925 8.3209 119.1229 57.8471 41.5348 179.6167 34 L 4.1088 8.4670 119.2836 57.8733 41.3101 179.3605 35 N 4.4583 8.2195 115.6825 56.3954 38.3246 176.7871 36 D 4.6852 8.4812 120.2445 57.5344 40.6859 178.8309 37 A 4.0437 7.9389 120.5464 54.9140 18.6269 179.3445 38 T 3.3748 7.7929 108.2060 63.5317 68.4806 175.1497 39 W 4.2465 7.7308 121.1381 56.9994 29.0793 176.3385 40 A 4.4971 7.5516 121.0195 50.3654 19.0561 176.6570 41 P 4.4939 0.0000 0.0000 63.1248 32.0747 176.0762 42 N 4.8775 8.5862 118.5052 51.6158 39.8554 173.3197 43 H 4.3701 9.0210 123.5541 57.5042 30.4868 174.6974 44 K 3.8447 9.2423 123.2457 57.0837 29.6936 174.0659 45 H 4.1376 7.8633 114.4016 57.3871 28.4782 176.1451 46 R 3.7498 7.7236 117.3032 56.8005 30.7559 176.9894 47 E 2.5400 7.9043 116.8628 56.2292 26.8167 174.0225 48 P 4.0892 0.0000 0.0000 63.4226 32.3128 177.5987 49 W 4.2681 5.6869 117.1790 56.2684 29.1695 175.2394 50 N 4.8706 8.2333 116.6124 52.1129 42.7290 173.1761 51 C 5.4097 8.3203 117.2540 58.1081 32.9791 173.7644 52 K 4.4487 8.9508 119.9381 54.6533 35.1662 175.1888 53 L 4.8220 8.4422 128.1576 54.1683 43.0545 175.0241 54 Y 4.6183 9.1665 125.4701 56.5285 40.0124 174.8500 55 I 4.7385 8.2229 123.2823 59.3987 42.2042 174.3961 56 G 3.8195 8.5128 117.9681 46.5788 0.0000 177.3391 57 E 4.0615 8.9742 124.2811 58.8663 29.7432 179.0999 58 G 3.7368 8.2259 105.7986 47.6324 0.0000 175.8041 59 R 4.1209 8.0357 119.9745 59.2907 30.0625 178.8524 60 K 4.0684 8.0313 119.2567 58.9786 32.1077 179.1270 61 K 4.0461 8.1028 119.0273 59.0954 31.8582 178.8849 62 L 3.5497 7.7902 120.1369 58.1166 42.0386 178.8285 63 V 3.2070 7.7845 118.0446 66.1156 31.3061 177.6018 64 D 4.2757 8.1734 118.1399 57.4196 40.4611 178.7602 65 A 3.9594 7.7141 119.9733 54.9488 18.7405 179.6165 66 V 3.3206 7.8589 116.9977 66.1801 31.6711 178.4184 67 L 3.4747 7.8871 118.9965 57.4426 41.2276 179.0710 68 N 4.4698 8.0472 115.6539 55.4008 38.5208 176.7614 69 S 4.3607 7.4190 114.1626 58.8677 63.7361 174.1581 70 F 5.0972 6.8639 121.4300 56.3323 40.5013 176.1948 71 T 4.2351 8.2064 113.4620 61.4588 70.7626 175.2256 72 E 4.0390 8.7406 120.9945 59.8998 29.2993 179.6472 73 E 3.9954 8.0794 117.9915 59.0688 29.6389 178.8368 74 E 3.7856 8.0368 119.1846 59.2766 29.7168 179.1131 75 R 4.3536 8.5872 116.2362 59.2057 29.0969 178.5724 76 A 3.9706 7.9492 121.0845 54.8561 18.4058 179.2208 77 K 4.0134 7.5822 117.2505 59.3272 32.6587 178.5417 78 R 4.4154 8.4496 117.9937 57.6870 30.7066 178.5304 79 G 3.9720 8.2104 105.9546 48.0968 0.0000 175.2943 80 K 3.9004 8.0484 121.7723 58.9868 32.2930 178.5374 81 I 3.7434 7.8184 119.3481 64.5427 37.0888 178.2882 82 L 4.0824 7.9799 119.4648 57.8235 41.4466 179.2366 83 S 4.0187 8.2420 113.3466 61.7030 62.1751 176.0177 84 D 4.4019 8.2157 121.2352 57.4813 40.3696 178.9034 85 R 4.0344 7.9506 117.9564 59.4353 30.4153 178.2352 86 F 4.2883 9.1472 118.0555 60.5803 38.8024 177.2099 87 L 4.4630 8.3092 116.1140 55.7983 41.5374 177.6690 88 S 4.7955 7.6608 113.0297 58.0172 63.2567 173.6334 89 T 4.5599 7.6440 118.0106 61.7860 69.8120 172.1273 90 P 4.5069 0.0000 0.0000 65.4621 32.3630 176.1341 91 A 5.0088 7.7934 118.7892 50.5272 23.2055 175.1064 92 Q 4.9533 8.9266 119.1170 54.1270 32.5826 174.7234 93 I 4.9304 8.9903 124.7438 59.4341 40.3775 174.8896 94 V 4.1731 8.8414 128.6221 62.3613 32.6833 174.7529 95 V 4.8721 8.8997 129.6880 61.8549 33.3123 174.2668 96 Y 5.2370 8.4139 126.1039 54.9387 41.6335 173.0244 *98 N 4.7506 8.6565 114.9875 53.6763 39.9671 174.0361 99 E 4.3948 8.9414 125.4668 54.6047 30.0128 175.4451 100 D 4.4660 8.6722 127.5723 53.6319 41.8311 174.5317 101 P 4.4385 0.0000 0.0000 64.1090 32.0565 176.0888 102 R 4.5020 8.2721 120.1427 54.6488 31.6746 176.2631 103 Q 3.9333 8.9367 124.1831 59.7238 28.9150 179.1045 104 I 3.7115 7.6646 119.6534 64.6468 37.3215 178.4534 105 Q 4.1969 8.0199 118.3629 58.7480 28.5074 178.4924 106 R 3.9258 8.5788 120.1251 59.6300 30.1160 178.3263 107 D 4.4247 8.8311 119.0051 57.4058 40.7448 178.5205 108 E 4.0371 8.3389 119.0199 59.6892 29.4968 179.2908 109 D 4.3424 8.2314 118.6889 57.5018 40.8263 178.1821 110 Y 4.0431 8.4873 120.0876 60.6979 38.8103 177.9651 111 A 4.0935 8.7401 121.9133 55.2298 18.4988 179.4748 112 A 4.2665 8.5038 119.5874 55.7617 18.2539 180.0772 113 T 4.1690 8.0746 113.4456 67.0407 68.6005 176.5486 114 C 4.3645 8.1873 117.8294 62.6776 28.3371 175.6850 115 A 4.2733 8.2128 122.5678 54.9281 17.9230 180.1364 116 F 4.2498 8.0335 116.7571 58.8048 39.2681 176.6544 *118 Q 4.2953 8.0596 119.7225 55.7500 30.8322 176.4422 119 N 4.2077 8.3420 115.5755 56.5344 38.5429 176.8255 120 F 3.7527 7.9211 121.4165 61.4960 39.5666 176.9502 121 Q 4.0168 8.2009 116.9443 59.1302 28.5625 179.1767 122 L 4.0263 7.7761 119.4736 57.7587 41.8176 179.4727 123 L 3.9055 8.0996 119.1087 57.6687 41.4529 179.4053 124 A 3.7419 7.8118 121.1226 54.7269 18.1196 179.5265 125 W 4.1849 7.8720 127.7858 60.1118 30.6134 177.7748 126 E 3.9661 8.0634 117.9343 59.0180 29.0460 178.0583 127 R 4.3440 7.2111 114.8343 55.7751 30.4457 177.2998 128 G 3.7354 7.9854 107.7992 44.9307 0.0000 173.3056 129 L 4.3666 7.9163 120.9105 53.3470 43.3993 176.3159 130 G 4.3622 9.5253 111.2949 45.4681 0.0000 172.2248 131 C 5.8903 8.6856 117.4753 57.8897 33.6023 173.2456 132 V 4.7555 8.8029 119.2357 59.8613 34.3892 174.3382 133 W 5.1271 9.1264 134.9552 56.5382 31.2121 175.2296 134 K 4.8696 9.4899 128.1376 54.8718 34.0127 178.3468 135 S 4.9533 8.4549 117.6971 57.0278 63.2014 174.7060 136 G 4.2182 8.1537 113.6124 45.6360 0.0000 174.7561 137 G 3.8708 8.9183 106.9447 48.6914 0.0000 175.2092 138 L 3.9591 8.3891 121.4203 58.3354 41.9076 178.5455 139 N 4.8225 8.1139 113.1712 55.3200 38.5077 175.1720 140 Y 4.4867 7.9207 114.5265 57.8509 39.2479 175.7549 141 N 4.6576 8.2470 120.1785 52.4200 39.7878 173.3247 142 P 4.3282 0.0000 0.0000 66.2865 31.1536 178.3313 143 L 4.0826 7.9424 118.1157 57.1889 41.6106 179.0220 144 F 4.2359 8.1750 120.3022 61.3472 39.5581 176.7753 145 I 3.3271 7.7261 119.4790 64.5114 36.9457 177.9001 146 E 4.1585 7.6085 121.0658 58.7886 29.2774 178.8991 147 G 3.7960 7.8425 104.6756 47.3369 0.0000 174.4895 148 I 4.2550 7.1461 112.5631 60.2586 37.8558 176.3013 149 G 3.7741 8.0555 108.1553 46.2627 0.0000 173.9807 150 L 4.2565 7.5868 119.5410 53.7227 42.8429 176.4849 151 T 4.4997 8.5962 111.7454 59.5901 70.7102 174.3152 152 R 4.0139 8.3115 122.4325 57.9709 30.5351 176.3734 153 G 3.9450 8.8478 110.9905 46.2996 0.0000 172.3489 154 Q 4.8276 7.8888 118.1057 53.6711 30.8794 175.0609 155 R 4.5412 8.4461 121.9715 54.4258 32.1257 174.7159 156 I 4.6020 8.1792 126.0031 60.5462 37.4915 175.9080 157 V 4.0875 8.8591 126.7251 63.7367 32.0226 175.8777 158 G 4.3389 7.1177 106.9086 46.2768 0.0000 171.7006 159 I 5.0561 8.2874 121.8711 59.3402 39.7868 174.9036 160 L 4.8797 9.1847 128.5427 54.1548 43.3457 175.3562 161 H 5.0544 9.1119 121.7505 54.2129 30.7481 173.8901 162 I 4.9388 8.1353 124.5842 59.5339 41.0831 175.0807 163 G 3.9823 8.0760 111.5447 45.7056 0.0000 172.1372 164 Y 4.9608 8.1491 117.6360 57.9588 39.3090 175.2242 165 F 5.2430 8.0105 114.3146 55.6445 40.1603 172.6852 166 D 4.3500 8.2383 121.0461 54.0262 41.6120 175.3291 167 K 4.6591 7.8781 119.7294 54.0326 34.7883 176.0977 168 A 4.1845 8.9270 129.4328 51.3386 19.0055 175.5444 169 P 4.4363 0.0000 0.0000 62.1954 32.1002 176.2625 170 E 4.0814 8.5669 120.4522 56.3623 29.9748 177.5011 171 G 3.7033 8.4572 112.1827 45.1252 0.0000 172.6509 172 K 4.3302 8.2485 123.3165 53.9332 33.5652 176.1633 173 A 4.0221 8.5107 128.8479 52.7516 18.8049 177.2455 174 R 4.3863 8.2060 121.0884 55.2131 31.5173 176.5835 175 T 4.0653 8.1610 117.4688 62.5153 69.3409 173.1161 176 P 4.2470 0.0000 0.0000 62.8333 32.0603 177.2828 177 I 3.7199 8.5214 123.1394 64.0360 38.1863 177.7981 178 T 4.0983 7.9209 109.4970 64.4692 68.4631 174.9203 179 E 4.1491 8.1925 120.2049 57.7870 30.1550 176.7683 180 K 4.5173 7.9364 118.0230 55.0850 32.5228 175.9565 *182 E 3.9989 7.7724 117.8219 56.0209 30.9292 174.3872 183 I 4.2399 8.2970 126.1528 59.7464 38.3618 175.3086 184 I 4.2595 8.2800 127.3679 59.9420 37.1773 174.9655 185 E 4.3896 8.6268 125.4262 54.5972 31.1905 175.9812 186 G 4.1885 8.1248 111.5038 46.5533 0.0000 173.4120 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 0 A 8.26 4.14 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 *2 T 7.99 4.03 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 1.23 0.00 0.00 3 T 7.99 4.55 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 4 Y 8.22 4.57 0.00 2.94 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 5 T 7.57 4.20 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 1.25 0.00 0.00 6 S 8.87 4.02 0.00 3.87 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 7 I 8.73 3.68 1.88 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 1.57 1.26 0.92 0.00 0.00 8 A 8.13 4.00 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 9 N 7.92 4.27 0.00 2.97 2.93 0.00 0.00 6.70 8.16 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 10 V 7.76 3.67 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.03 0.00 0.00 11 I 7.92 3.61 2.04 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 1.50 0.71 0.87 0.00 0.00 12 K 7.83 4.11 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.57 7.81 13 E 7.72 4.16 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 14 R 6.76 2.00 0.00 1.24 1.38 0.00 3.21 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.36 0.00 15 R 5.84 4.40 0.00 1.66 1.64 0.00 3.34 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 16 S 8.54 4.36 0.00 3.82 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 17 V 8.92 4.28 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 0.45 0.00 0.00 0.41 0.00 0.00 18 R 8.11 4.48 0.00 1.65 1.80 0.00 3.15 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 19 T 7.01 4.26 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 1.17 0.00 0.00 20 F 8.44 5.23 0.00 3.10 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 21 T 8.49 4.50 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 1.27 0.00 0.00 22 D 8.48 4.65 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.42 3.81 0.00 1.78 1.79 0.00 1.44 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.24 1.24 7.81 24 A 8.55 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 25 V 8.28 4.52 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 0.72 0.00 0.00 0.88 0.00 0.00 26 E 8.74 4.27 0.00 2.02 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 2.44 2.33 0.00 27 K 8.82 3.83 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 28 D 8.08 4.35 0.00 2.82 2.71 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 29 L 7.87 3.94 0.00 1.78 1.81 0.96 0.66 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 30 L 7.81 4.11 0.00 2.05 1.74 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.01 3.73 2.01 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 1.41 0.98 0.93 0.00 0.00 32 E 8.39 3.96 0.00 2.19 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 0.00 2.33 2.39 0.00 33 L 8.32 3.99 0.00 1.99 1.55 0.74 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.47 4.11 0.00 1.89 1.81 0.87 0.34 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 35 N 8.22 4.46 0.00 3.03 2.98 0.00 0.00 7.07 7.49 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 36 D 8.48 4.69 0.00 2.89 2.77 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 37 A 7.94 4.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.79 3.37 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 1.34 0.00 0.00 39 W 7.73 4.25 0.00 3.51 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.50 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 41 P 0.00 4.49 0.00 2.30 2.19 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 42 N 8.59 4.88 0.00 2.73 3.09 0.00 0.00 5.89 7.90 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 43 H 9.02 4.37 0.00 3.26 3.25 0.00 6.01 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 44 K 9.24 3.84 0.00 1.76 1.74 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.02 7.81 45 H 7.86 4.14 0.00 3.22 3.30 0.00 5.95 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 46 R 7.72 3.75 0.00 1.67 1.78 0.00 3.27 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 47 E 7.90 2.54 0.00 1.44 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 1.84 1.68 0.00 48 P 0.00 4.09 0.00 2.04 1.98 0.00 2.62 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 49 W 5.69 4.27 0.00 2.43 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 50 N 8.23 4.87 0.00 1.44 1.73 0.00 0.00 6.76 7.81 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 51 C 8.32 5.41 0.00 2.77 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 52 K 8.95 4.45 0.00 1.89 1.55 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 L 8.44 4.82 0.00 1.56 1.49 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.17 4.62 0.00 2.98 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 55 I 8.22 4.74 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 1.29 1.47 0.90 0.00 0.00 56 G 8.51 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 0.00 0.00 0.00 0.00 57 E 8.97 4.06 0.00 2.07 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 2.34 0.00 58 G 8.23 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 59 R 8.04 4.12 0.00 2.13 2.12 0.00 3.29 0.00 0.00 3.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 60 K 8.03 4.07 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 K 8.10 4.05 0.00 2.22 1.96 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 62 L 7.79 3.55 0.00 1.21 1.68 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.78 3.21 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 0.90 0.00 0.00 0.89 0.00 0.00 64 D 8.17 4.28 0.00 2.95 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 65 A 7.71 3.96 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 66 V 7.86 3.32 1.74 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 0.34 0.00 0.00 0.58 0.00 0.00 67 L 7.89 3.47 0.00 1.54 1.59 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.05 4.47 0.00 2.71 2.86 0.00 0.00 7.07 7.18 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 69 S 7.42 4.36 0.00 4.19 4.17 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 70 F 6.86 5.10 0.00 3.18 2.87 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 71 T 8.21 4.24 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 1.24 0.00 0.00 72 E 8.74 4.04 0.00 2.01 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 2.42 2.37 0.00 73 E 8.08 4.00 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 2.39 2.36 0.00 74 E 8.04 3.79 0.00 1.94 1.96 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 1.47 1.64 0.00 75 R 8.59 4.35 0.00 2.26 2.53 0.00 2.86 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 76 A 7.95 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 120 F 7.92 3.75 0.00 2.65 2.71 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 0.00 121 Q 8.20 4.02 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 122 L 7.78 4.03 0.00 1.89 1.69 0.91 0.49 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 0.00 123 L 8.10 3.91 0.00 1.52 1.55 0.93 0.69 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 0.00 124 A 7.81 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 7.87 4.18 0.00 3.65 3.24 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 0.00 126 E 8.06 3.97 0.00 2.09 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 0.00 2.30 2.36 0.00 127 R 7.21 4.34 0.00 2.01 1.94 0.00 3.37 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 128 G 7.99 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 0.00 129 L 7.92 4.37 0.00 1.53 1.42 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.53 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 0.00 0.00 0.00 0.00 131 C 8.69 5.89 0.00 3.00 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 0.00 132 V 8.80 4.76 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 0.92 0.00 0.00 1.00 0.00 0.00 133 W 9.13 5.13 0.00 3.45 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 0.00 134 K 9.49 4.87 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.43 7.81 135 S 8.45 4.95 0.00 4.14 4.05 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 0.00 136 G 8.15 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 0.00 0.00 0.00 0.00 137 G 8.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.39 3.96 0.00 1.75 1.69 0.27 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.11 4.82 0.00 2.90 2.83 0.00 0.00 6.99 8.81 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 0.00 140 Y 7.92 4.49 0.00 3.10 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 0.00 141 N 8.25 4.66 0.00 3.12 3.03 0.00 0.00 6.81 7.10 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 0.00 142 P 0.00 4.33 0.00 2.33 2.35 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 143 L 7.94 4.08 0.00 1.78 1.79 1.02 1.04 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 0.00 144 F 8.17 4.24 0.00 2.99 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 0.00 145 I 7.73 3.33 1.97 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 1.36 0.61 0.80 0.00 0.00 146 E 7.61 4.16 0.00 2.01 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 2.26 2.16 0.00 147 G 7.84 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 0.00 148 I 7.15 4.26 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 0.59 0.00 0.00 149 G 8.06 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 0.00 0.00 0.00 150 L 7.59 4.26 0.00 1.65 1.33 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.60 4.50 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 1.17 0.00 0.00 152 R 8.31 4.01 0.00 1.76 1.88 0.00 3.40 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 153 G 8.85 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 0.00 154 Q 7.89 4.83 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 155 R 8.45 4.54 0.00 1.93 1.86 0.00 3.60 0.00 0.00 3.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 156 I 8.18 4.60 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 1.14 0.00 0.00 157 V 8.86 4.09 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 0.61 0.00 0.00 1.03 0.00 0.00 158 G 7.12 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 0.00 0.00 0.00 0.00 159 I 8.29 5.06 2.02 0.00 0.00 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 1.41 1.03 0.97 0.00 0.00 160 L 9.18 4.88 0.00 1.35 1.52 0.40 0.63 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 0.00 161 H 9.11 5.05 0.00 3.14 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.14 4.94 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.91 0.00 0.00 163 G 8.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.15 4.96 0.00 3.06 2.83 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 0.00 165 F 8.01 5.24 0.00 3.13 3.10 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 0.00 166 D 8.24 4.35 0.00 2.71 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 0.00 167 K 7.88 4.66 0.00 1.79 1.74 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 168 A 8.93 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.44 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 170 E 8.57 4.08 0.00 1.95 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 2.26 0.00 171 G 8.46 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.25 4.33 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.40 7.81 173 A 8.51 4.02 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 0.00 174 R 8.21 4.39 0.00 1.79 1.84 0.00 3.34 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 175 T 8.16 4.07 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 1.25 0.00 0.00 176 P 0.00 4.25 0.00 2.17 1.99 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 177 I 8.52 3.72 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 1.14 0.91 0.00 0.00 178 T 7.92 4.10 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 1.21 0.00 0.00 179 E 8.19 4.15 0.00 2.12 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 2.34 2.27 0.00 180 K 7.94 4.52 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *182 E 7.77 4.00 0.00 1.95 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 2.19 2.34 0.00 183 I 8.30 4.24 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 1.42 0.75 0.94 0.00 0.00 184 I 8.28 4.26 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 1.30 0.44 0.91 0.00 0.00 185 E 8.63 4.39 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 2.18 2.26 0.00 186 G 8.12 4.19 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.