NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3100 8.2033 119.1171 54.8611 29.7912 174.0314 3 R 4.8171 8.0717 120.5421 52.4977 34.0984 173.2785 4 C 4.0759 8.5140 117.3433 59.8228 29.3835 174.8672 5 D 4.2320 8.2656 121.7002 57.0038 40.4919 177.7854 6 W 4.3946 7.0428 113.3803 56.8916 28.7782 176.1741 7 V 2.9631 6.3970 120.7268 62.0230 31.3181 176.1155 8 S 4.5612 7.9583 122.1272 57.5662 64.9524 173.5473 9 Q 4.1875 8.4659 117.5827 56.9324 29.0396 176.3477 10 D 4.5037 8.2262 119.8517 53.5724 42.2000 175.0084 11 P 4.3944 0.0000 0.0000 65.2570 31.5181 178.4586 12 L 4.0449 8.2638 119.7788 58.3574 41.9404 178.3962 13 Y 4.6263 8.1281 119.0770 60.7193 38.7683 177.5330 14 I 3.7272 8.1857 120.6881 64.4178 37.1883 178.2482 15 A 4.1085 8.4106 121.7094 55.2345 18.1728 178.9491 16 Y 4.1825 8.2780 117.7557 61.2273 38.7440 177.8518 17 H 4.2779 8.6451 117.8236 59.6756 30.0712 176.6943 18 D 4.4722 8.4983 119.5373 56.5376 40.7939 177.5016 19 N 4.9123 8.5215 114.8629 53.0023 40.4753 175.1104 20 E 4.4197 7.7357 117.6508 57.2692 32.0693 176.0163 21 W 4.2117 7.7225 128.4740 58.4492 30.8849 176.1970 22 G 3.3176 7.9206 114.1555 45.0825 0.0000 173.0402 23 V 3.8910 7.1426 119.9077 60.5731 31.9842 173.8905 24 P 4.5374 0.0000 0.0000 63.2786 31.5454 174.9833 25 E 4.6789 9.2484 124.9315 54.7206 30.9370 175.4241 26 T 4.5908 8.5453 114.3795 61.1935 69.8912 173.5966 27 D 4.7843 8.6773 123.4176 53.6676 42.6106 176.7579 28 S 4.6521 9.0505 123.4104 62.1203 62.9856 176.7486 29 R 3.9848 8.4532 120.8668 59.3567 29.7083 178.5454 30 K 4.0834 8.5631 117.5715 59.4808 32.1331 179.0028 31 L 4.4962 8.3755 118.5857 57.7394 41.9115 179.0004 32 F 4.3462 8.8139 120.6826 61.2263 39.2033 177.4908 33 E 2.5400 8.1372 116.5987 56.8352 29.6810 178.0223 *35 I 3.7603 7.7580 119.4123 60.6263 40.0724 177.4674 36 C 3.9445 7.6424 117.9630 62.7324 27.6203 176.0592 37 L 3.6988 7.5488 119.4208 57.6413 41.4691 179.0726 38 E 4.3435 8.2586 118.3435 59.4380 29.5279 179.4967 39 G 3.7304 8.0770 105.6310 47.8153 0.0000 175.7703 40 Q 3.9340 7.6908 119.2474 58.2585 28.9313 177.9067 41 Q 4.1897 7.9866 119.5260 56.5229 29.0008 175.3987 42 A 4.1481 7.2796 122.8122 54.4320 18.5804 177.9897 43 G 4.0076 9.1665 111.0098 45.4391 0.0000 172.3740 44 L 4.8880 7.9896 118.7005 52.2204 45.3176 176.1188 45 S 4.4901 8.2278 113.8493 57.5987 64.0738 175.1242 46 W 4.2219 8.9123 132.0024 60.7802 30.3198 178.0072 47 I 2.8563 7.6438 118.0066 64.0640 37.0111 177.5469 48 T 3.7038 7.1279 115.7691 66.7134 68.6535 176.3099 49 V 3.4712 7.1371 119.2545 65.6510 31.6015 177.5313 50 L 3.2532 6.6464 120.2574 57.9336 41.5503 179.1816 51 K 3.9443 7.7641 117.3300 58.6360 32.1142 178.4096 52 K 4.3839 7.5286 116.9641 56.3825 32.1648 178.3837 53 R 3.9963 7.7971 121.5415 59.5880 30.0054 178.2708 54 E 4.0663 8.2148 117.9347 59.4029 29.4474 178.9195 55 N 4.3163 8.1540 116.1021 56.4705 38.5959 176.7684 56 Y 4.1318 8.3658 118.3008 61.3862 38.0749 179.0721 57 R 4.1283 8.7805 119.0396 59.1138 29.8968 179.1455 58 A 3.9326 7.9141 119.8812 55.4945 18.5685 179.3149 59 C 3.9504 8.2437 114.2321 61.5632 28.2672 174.6678 60 F 4.3893 8.0320 119.3344 57.1967 39.4528 175.0454 61 H 4.0740 8.2174 113.7308 57.7861 25.7095 175.3689 62 Q 3.4209 9.2465 112.7857 56.8050 26.9462 174.1844 63 F 3.6515 7.8238 112.9374 58.6061 37.2067 175.7117 64 D 4.4373 8.0574 120.7137 53.3181 41.6176 174.1740 65 P 3.9822 0.0000 0.0000 65.3513 31.0944 178.7671 66 I 3.7172 7.7571 118.8527 64.4507 36.7942 178.7021 67 R 3.8913 8.0017 117.2666 59.1043 30.0460 178.6907 68 I 3.9281 7.6938 118.4939 64.4496 37.2808 178.2267 69 A 4.1733 8.2649 120.0753 53.9299 19.4600 178.7578 70 A 4.1810 7.2088 120.7531 50.4327 15.9038 175.8771 *72 Q 4.0608 7.6127 125.8640 55.1727 30.8657 176.9657 73 E 4.0294 8.8837 119.6717 62.5318 29.3361 177.7442 74 E 4.1832 8.1301 118.2878 61.0125 29.7394 181.0107 75 D 4.5132 8.2623 119.1973 57.2118 40.7977 178.9902 76 V 3.5696 7.6646 118.2906 66.1900 31.4657 177.8473 77 E 3.9384 8.1706 117.1144 59.1190 29.5261 179.0357 78 R 3.9836 7.9641 118.8334 59.6233 30.1315 178.6664 79 L 3.9167 8.2150 118.9323 57.6010 41.3419 179.2819 80 L 4.0582 8.0155 117.8630 56.6855 41.5888 177.6840 81 Q 4.2847 7.7245 116.2525 55.4891 29.4789 174.8859 82 N 4.5875 8.1252 119.4255 52.3253 38.7658 175.4210 83 T 4.1240 8.4054 116.0491 62.9344 69.2781 175.5567 84 G 3.6798 7.8553 110.6971 46.6504 0.0000 172.7641 85 I 4.3274 6.8922 113.2133 58.9017 40.0938 173.8796 86 I 4.2684 7.8677 121.2653 60.7708 37.7894 177.2309 87 R 4.2743 8.2936 126.5224 54.9772 28.7387 174.1661 88 H 4.6993 7.8742 117.4015 53.1934 33.0592 172.3273 89 R 4.0218 8.7711 129.0964 59.6796 29.9993 178.4022 90 G 3.8065 8.1857 104.8566 47.8763 0.0000 175.6900 91 K 3.2277 7.8332 119.4182 58.7718 32.2196 179.1244 92 I 3.9392 7.7957 120.1121 64.6575 37.0534 178.5495 93 Q 4.0615 8.5848 118.9782 58.8381 28.4366 178.7934 94 A 4.0966 8.0249 121.9822 55.1843 18.3613 179.7435 95 I 3.6370 7.4876 118.4153 64.4509 37.1046 178.7898 96 I 3.7919 7.7047 120.1694 64.5044 37.0560 178.3794 97 S 4.1190 8.4421 116.3924 61.7740 62.5970 176.6429 98 N 3.8682 8.6735 119.2314 56.0225 38.2434 177.2903 99 A 3.5625 8.3339 122.2083 55.2507 18.5186 179.9280 100 R 3.8135 8.0443 116.2878 59.2219 29.8622 179.1499 101 A 3.8185 7.9355 120.1531 54.6964 18.3120 179.1598 102 W 4.2405 7.9759 126.0989 60.6708 30.9626 177.7917 103 L 4.2519 8.3394 118.8536 57.6616 40.7775 179.9549 104 A 4.1870 7.6446 116.7683 52.8597 17.9219 178.0910 *106 E 4.4714 8.0887 121.8917 58.0848 31.3008 177.9090 107 Q 3.9488 8.3768 118.1912 57.8795 28.9027 176.5771 108 N 4.9993 7.6622 115.3724 52.0894 38.9686 179.8785 109 G 4.1449 8.7396 109.6533 46.2995 0.0000 174.5970 110 E 4.3587 7.8582 119.6904 54.7188 30.2696 175.2698 111 S 4.4770 8.4961 119.2015 57.7181 63.8640 174.2050 112 F 4.3139 9.4967 131.6426 61.4146 39.2487 177.1368 113 A 4.2400 8.4289 120.3736 55.5216 18.0505 179.2904 114 D 4.4400 8.3305 116.3597 57.4193 41.2534 178.6027 115 F 4.3642 8.5818 121.2592 61.6446 39.5065 177.7177 116 V 3.3629 8.0374 112.2813 63.9571 31.2912 178.3191 117 W 4.0837 8.3212 117.9557 58.3760 28.7203 178.1599 118 S 4.2121 7.5687 113.3215 60.2875 62.6407 175.3560 119 F 4.1354 7.6900 120.0907 56.8728 39.3374 175.4651 120 V 4.3014 7.1537 120.5273 60.2766 33.5002 175.8945 121 D 4.7451 8.6149 121.4578 52.3255 41.0345 176.9104 122 G 3.9579 8.2461 117.6031 45.8928 0.0000 175.3115 123 Q 4.2024 8.6879 122.9846 54.4301 29.1365 173.7020 124 P 4.5527 0.0000 0.0000 62.3388 32.1726 175.8839 125 Q 4.1022 8.7368 125.0646 56.3619 30.2533 174.4934 126 I 4.7598 8.1834 127.1811 59.9162 38.5238 175.6962 127 T 4.1154 8.6885 122.0948 62.4435 67.9387 173.9342 128 Q 4.5384 8.6412 122.8381 55.4524 29.8925 175.8102 129 A 4.2045 8.1612 122.7208 51.9497 19.0155 178.4377 130 A 4.4398 8.7242 123.1694 51.8162 20.0844 177.1307 131 S 4.8475 7.4329 109.2464 56.3534 66.1932 174.9651 132 L 4.0960 9.2284 124.4572 58.1978 41.9374 178.8652 133 D 4.5261 8.1367 116.4185 55.1450 39.4762 176.7058 134 K 4.4457 7.9484 118.2544 56.1298 32.4645 175.7531 135 I 4.4464 7.4788 121.0451 58.7932 38.4745 174.1521 136 P 4.4486 0.0000 0.0000 63.0123 31.7368 176.1255 137 T 4.4640 8.0987 107.9943 62.1557 69.9644 174.2055 138 S 4.2509 7.1742 114.8123 56.4727 65.6503 173.2841 139 T 4.5300 8.4586 111.4375 58.5455 73.0939 172.8820 140 P 4.1655 0.0000 0.0000 65.8362 31.1424 178.7748 141 A 4.0698 7.9317 119.1157 55.2275 18.3313 179.7181 142 S 4.0615 8.1097 112.8229 61.5136 63.1795 176.3848 143 D 4.2704 8.4085 122.6624 57.1689 40.5845 178.6859 144 A 4.0273 8.0284 121.2365 54.9399 18.3414 179.4631 145 L 2.4400 7.9143 119.0278 57.6891 42.0509 178.9585 146 A 3.9556 8.0116 121.0281 55.0859 18.2969 179.5851 147 K 3.9028 7.9814 117.6038 59.5157 32.1386 179.0236 148 A 4.1743 8.1391 121.1377 55.1560 18.3868 179.5817 149 L 3.9909 8.3027 117.8817 57.9379 41.6846 179.9272 150 K 4.0856 8.2676 118.4257 59.4241 31.7889 179.2375 151 K 4.0113 8.0639 118.7665 59.1940 32.1222 177.9757 152 R 4.4809 7.5647 115.7508 55.9465 30.3702 177.0482 153 G 4.0223 8.0421 107.5856 45.1110 0.0000 174.1962 154 F 4.3733 8.1863 117.9641 56.9900 39.6266 174.9609 155 K 4.6993 8.1266 121.1435 55.4590 36.0687 175.8566 156 F 3.4670 8.6451 116.6406 58.8891 36.4815 176.5139 157 V 4.4562 7.2319 108.2000 59.6577 32.8337 176.0930 158 G 3.8984 7.6704 107.6341 44.0610 0.0000 172.9322 159 T 3.8607 8.2816 113.0900 65.2833 67.0949 176.1648 160 T 4.2309 7.6782 118.6892 65.8747 68.6126 176.6544 161 I 3.6987 7.7425 121.2324 64.7968 36.9558 178.1154 162 C 4.1224 8.2025 116.5374 62.8989 27.9724 175.2917 163 Y 4.1512 7.9904 120.3593 60.7380 38.6098 177.6457 164 S 4.4046 8.2927 117.6664 60.7209 62.7576 177.1351 165 F 4.2461 8.2113 121.1803 58.6681 38.6524 176.8151 *167 Q 3.4045 8.0756 116.4939 55.0595 30.5812 177.5265 168 A 3.1242 7.4924 120.6299 54.8022 18.5291 178.5198 169 C 4.2255 7.6868 111.6022 59.2111 28.2796 175.0429 170 G 3.8813 7.1446 107.0725 45.5709 0.0000 175.3343 171 L 3.2547 7.0100 121.4890 56.2311 41.5324 177.2877 172 V 4.2706 6.9442 110.1970 59.1991 35.4625 174.0913 173 N 4.6486 8.8622 120.7632 52.4122 39.0125 174.1181 174 D 5.1945 7.8544 125.5477 54.1001 41.6083 176.5573 175 H 4.6396 8.4329 117.5378 55.6091 29.1802 175.7620 176 I 4.1325 8.4945 118.2127 60.7805 37.8026 176.8574 177 T 3.2770 8.6831 112.3834 64.6511 68.3762 176.0114 178 G 3.8083 7.8520 107.9313 45.9462 0.0000 173.2253 179 C 4.4933 8.1518 122.5254 58.7665 32.0550 174.4265 180 F 4.3161 9.1512 122.4169 59.6628 37.4574 175.9586 181 C 3.8324 7.1457 116.8575 60.2271 28.4020 173.2922 182 H 4.1387 7.8339 121.0665 55.7144 30.0118 174.5135 183 P 4.5374 0.0000 0.0000 62.1036 29.4846 176.4401 184 G 3.8095 7.8891 113.4972 46.5969 0.0000 171.3466 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 Q 8.20 4.31 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.63 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 3 R 8.07 4.82 0.00 1.57 1.34 0.00 3.08 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 4 C 8.51 4.08 0.00 1.61 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.27 4.23 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 7.04 4.39 0.00 3.43 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 7 V 6.40 2.96 1.51 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 0.43 0.00 0.00 -0.58 0.00 0.00 8 S 7.96 4.56 0.00 4.12 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 0.00 9 Q 8.47 4.19 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 10 D 8.23 4.50 0.00 2.83 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 11 P 0.00 4.39 0.00 2.25 2.13 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 12 L 8.26 4.04 0.00 1.83 1.84 0.96 0.73 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 13 Y 8.13 4.63 0.00 3.09 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 14 I 8.19 3.73 2.11 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 0.78 0.97 0.00 0.00 15 A 8.41 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.28 4.18 0.00 3.36 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 17 H 8.65 4.28 0.00 3.09 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.50 4.47 0.00 2.80 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 19 N 8.52 4.91 0.00 2.83 2.89 0.00 0.00 6.82 7.79 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 20 E 7.74 4.42 0.00 1.77 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 2.35 2.32 0.00 21 W 7.72 4.21 0.00 2.72 3.08 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 22 G 7.92 3.32 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 0.00 23 V 7.14 3.89 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 0.79 0.00 0.00 0.95 0.00 0.00 24 P 0.00 4.54 0.00 2.03 2.09 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 25 E 9.25 4.68 0.00 1.91 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 0.00 2.33 2.41 0.00 26 T 8.55 4.59 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 27 D 8.68 4.78 0.00 2.84 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 28 S 9.05 4.65 0.00 4.41 4.68 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 29 R 8.45 3.98 0.00 1.96 2.18 0.00 3.26 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 30 K 8.56 4.08 0.00 2.05 1.97 0.00 1.86 0.00 0.00 2.10 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.77 7.81 31 L 8.38 4.50 0.00 2.40 2.36 1.30 1.00 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 32 F 8.81 4.35 0.00 2.75 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 33 E 8.14 2.54 0.00 1.74 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 1.84 1.47 0.00 *35 I 7.76 3.76 1.09 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.86 0.93 0.00 0.00 36 C 7.64 3.94 0.00 2.64 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 0.00 37 L 7.55 3.70 0.00 1.61 1.79 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 4.34 0.00 2.10 2.00 0.00 0.00 0.00 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 2.38 0.00 39 G 8.08 3.73 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 0.00 0.00 0.00 40 Q 7.69 3.93 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.92 0.00 0.00 0.00 0.00 0.00 2.30 1.75 0.00 41 Q 7.99 4.19 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 42 A 7.28 4.15 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.17 4.01 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 0.00 0.00 0.00 44 L 7.99 4.89 0.00 1.70 1.57 0.92 0.83 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 45 S 8.23 4.49 0.00 4.06 4.03 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 46 W 8.91 4.22 0.00 3.33 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 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0.00 7.15 7.48 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 56 Y 8.37 4.13 0.00 3.44 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.78 4.13 0.00 2.11 2.15 0.00 3.38 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 58 A 7.91 3.93 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 59 C 8.24 3.95 0.00 2.56 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 0.00 0.00 0.00 60 F 8.03 4.39 0.00 2.44 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.22 4.07 0.00 3.39 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.25 3.42 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 63 F 7.82 3.65 0.00 3.32 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 73 E 8.88 4.03 0.00 1.97 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 2.32 1.97 0.00 74 E 8.13 4.18 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 2.31 1.97 0.00 75 D 8.26 4.51 0.00 2.86 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 76 V 7.66 3.57 2.25 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 1.17 0.00 0.00 1.01 0.00 0.00 77 E 8.17 3.94 0.00 1.95 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 2.57 2.45 0.00 78 R 7.96 3.98 0.00 1.93 2.06 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 79 L 8.21 3.92 0.00 1.77 1.61 0.50 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.02 4.06 0.00 1.81 1.72 0.96 0.94 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 81 Q 7.72 4.28 0.00 2.15 2.09 0.00 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0.00 0.00 0.00 0.00 2.35 2.31 0.00 124 P 0.00 4.55 0.00 1.93 2.16 0.00 3.77 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 125 Q 8.74 4.10 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 126 I 8.18 4.76 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.86 0.00 0.00 127 T 8.69 4.12 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 128 Q 8.64 4.54 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 129 A 8.16 4.20 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 0.00 130 A 8.72 4.44 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 S 7.43 4.85 0.00 3.98 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 0.00 132 L 9.23 4.10 0.00 1.98 1.78 1.12 1.33 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 0.00 133 D 8.14 4.53 0.00 2.83 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 0.00 134 K 7.95 4.45 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 135 I 7.48 4.45 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 1.15 0.00 0.00 136 P 0.00 4.45 0.00 1.92 1.89 0.00 3.82 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 1.72 1.81 0.00 137 T 8.10 4.46 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 0.00 138 S 7.17 4.25 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 0.00 139 T 8.46 4.53 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 140 P 0.00 4.17 0.00 2.16 2.14 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 141 A 7.93 4.07 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 0.00 142 S 8.11 4.06 0.00 4.32 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 0.00 143 D 8.41 4.27 0.00 2.88 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 0.00 144 A 8.03 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.91 2.44 0.00 0.65 1.43 0.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.01 3.96 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 0.00 147 K 7.98 3.90 0.00 1.97 1.98 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 148 A 8.14 4.17 1.75 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 0.00 149 L 8.30 3.99 0.00 1.77 1.62 0.63 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.27 4.09 0.00 1.99 1.90 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.55 7.81 151 K 8.06 4.01 0.00 1.83 2.14 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.54 7.81 152 R 7.56 4.48 0.00 2.15 2.14 0.00 2.96 0.00 0.00 2.87 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 153 G 8.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.19 4.37 0.00 3.21 3.08 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 0.00 155 K 8.13 4.70 0.00 1.90 1.89 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 156 F 8.65 3.47 0.00 3.20 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 0.00 157 V 7.23 4.46 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 0.82 0.00 0.00 0.97 0.00 0.00 158 G 7.67 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 0.00 0.00 0.00 159 T 8.28 3.86 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 1.18 0.00 0.00 160 T 7.68 4.23 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 1.29 0.00 0.00 161 I 7.74 3.70 2.00 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 1.68 0.73 0.97 0.00 0.00 162 C 8.20 4.12 0.00 3.07 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 0.00 163 Y 7.99 4.15 0.00 2.96 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 0.00 164 S 8.29 4.40 0.00 3.95 3.79 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 0.00 165 F 8.21 4.25 0.00 2.97 3.17 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 *167 Q 8.08 3.40 0.00 1.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 1.95 1.51 0.00 168 A 7.49 3.12 1.15 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 0.00 0.00 169 C 7.69 4.23 0.00 2.19 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.14 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 0.00 171 L 7.01 3.25 0.00 1.10 1.12 -0.16 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 172 V 6.94 4.27 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 0.80 0.00 0.00 0.45 0.00 0.00 173 N 8.86 4.65 0.00 2.59 2.61 0.00 0.00 7.37 8.19 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 0.00 174 D 7.85 5.19 0.00 2.71 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 0.00 175 H 8.43 4.64 0.00 3.28 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 8.49 4.13 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.99 0.00 0.00 177 T 8.68 3.28 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 178 G 7.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 C 8.15 4.49 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 9.15 4.32 0.00 3.13 3.11 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 0.00 181 C 7.15 3.83 0.00 2.22 2.38 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 0.00 182 H 7.83 4.14 0.00 3.35 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.54 0.00 2.15 2.00 0.00 3.38 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 1.80 2.01 0.00 184 G 7.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.