NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6361 8.3349 115.5575 58.2809 63.3900 172.8616 2 K 4.5292 9.5266 127.3374 54.4223 35.2060 174.1117 3 K 4.8896 10.2801 123.5589 55.2727 34.1921 175.3888 4 I 4.3878 8.9705 126.9716 59.1302 40.1711 174.8937 5 G 3.9919 8.5017 114.8322 44.8962 0.0000 172.4073 6 I 4.5112 8.4252 126.8129 59.9112 39.2084 174.6397 7 F 4.9957 9.3130 130.4804 56.2422 40.4382 174.6611 8 G 4.3329 9.0367 112.4508 44.8334 0.0000 170.5287 9 G 3.5047 7.9801 109.1096 46.2599 0.0000 173.5382 10 T 3.9880 7.7401 116.2474 63.9015 69.6957 175.5974 11 F 3.8629 7.2678 118.8001 58.9564 36.2623 175.7529 12 D 5.1152 7.6348 118.0109 50.5641 39.3595 173.4499 13 P 5.1848 0.0000 0.0000 60.2360 34.0737 174.1299 14 P 4.7351 0.0000 0.0000 62.7572 31.9951 175.5331 15 H 5.0232 8.2558 114.7371 53.4328 31.7512 173.5570 16 N 4.7021 9.0445 116.0644 56.2269 38.0986 177.9144 17 G 3.6227 7.9988 107.2645 47.8597 0.0000 175.4543 18 H 4.6594 8.1112 118.0110 58.8747 28.9146 177.6364 19 L 4.3042 7.9860 120.3757 57.8040 41.5299 179.3333 20 L 4.1158 8.5671 120.5447 58.4963 42.0709 178.5514 21 M 4.0576 8.3852 117.8101 58.7229 32.1054 177.8808 22 A 3.8782 8.3627 120.7973 55.3458 18.5506 179.1831 23 N 4.7467 8.7226 115.5498 56.9762 38.9927 177.0663 24 E 4.1175 8.5868 120.1919 59.2901 29.4964 179.4215 25 V 3.5275 8.0522 118.4326 65.8146 31.6031 177.4741 26 L 3.7792 8.0960 120.2450 58.6758 41.9767 178.6771 27 Y 3.9785 8.1407 116.0708 61.0140 37.8205 178.0955 28 Q 4.1148 8.5008 117.9182 58.0985 28.8796 177.5337 29 A 4.4182 8.0585 119.5913 50.5752 19.5980 176.7815 30 G 3.7454 7.5312 104.9450 46.4651 0.0000 174.3132 31 L 4.1736 7.4647 118.1593 53.6194 43.2246 177.0937 32 D 4.5806 8.5472 119.9520 56.5967 41.6134 176.9620 33 E 5.0354 7.7293 115.2196 54.9608 34.8640 174.1469 34 I 4.7932 9.1082 121.6940 59.4323 40.7319 174.7225 35 W 5.4067 9.2475 127.3054 55.1127 31.2256 175.1911 36 F 4.5439 9.9334 125.5398 57.2596 39.4808 174.8858 37 M 5.3330 9.2463 123.9702 51.5909 33.8647 172.7976 38 P 5.1302 0.0000 0.0000 62.7846 32.2139 176.3047 39 N 5.0144 8.8310 122.7570 52.0410 39.5652 174.0037 40 Q 4.5618 8.2281 118.1484 54.7092 32.1293 173.7215 41 I 4.2754 8.0833 124.7947 59.6295 38.6691 173.8899 42 P 4.4146 0.0000 0.0000 61.7747 31.8636 172.4368 43 P 4.1795 0.0000 0.0000 62.8955 30.6190 175.5045 44 H 4.7876 9.1100 116.9150 57.3968 32.9137 173.7913 *51 T 4.0808 7.6138 115.8032 62.8578 69.7950 173.8881 52 D 4.5136 8.3375 123.5432 54.3922 43.2717 177.5034 53 S 4.1044 8.5660 119.2297 61.4910 62.5535 176.6686 54 F 4.4636 8.5469 116.8291 60.1445 37.2805 177.1585 55 H 3.8333 6.9904 116.2192 58.7855 28.6696 177.7713 56 R 3.8724 7.6908 119.4088 59.0876 29.8264 179.4093 57 V 3.5189 8.2399 118.6323 65.7697 31.6468 177.9856 58 E 3.7633 8.0058 118.2746 59.6955 29.2360 179.1034 59 M 3.6867 7.6440 118.7957 58.2154 31.9035 178.7976 60 L 3.6293 7.6513 118.8439 57.7288 41.6693 179.4683 61 K 3.6970 7.7433 118.1970 59.7172 31.7661 179.3236 62 L 3.9189 7.4271 117.1906 57.6678 41.5926 179.1011 63 A 4.0996 7.8612 120.2682 54.4358 18.6727 178.7842 64 I 4.1902 7.6520 109.4926 61.0503 37.9501 177.5142 65 Q 3.9543 7.5310 121.0250 59.4443 28.7967 178.8459 66 S 4.1048 8.0639 111.4618 59.8107 63.5940 173.1717 67 N 4.6144 7.9952 120.9606 50.9454 39.1507 173.2496 68 P 4.2792 0.0000 0.0000 65.6181 31.6899 177.6118 69 S 4.5553 7.8368 112.1016 59.2333 63.9420 173.7378 70 F 5.8365 7.9676 119.4432 56.3411 40.2242 175.5685 71 K 4.7451 9.5075 121.4868 54.6534 36.8792 174.7642 72 L 4.8396 8.3468 124.5359 53.7671 42.9993 175.1605 73 E 4.4564 9.0557 126.7204 53.9775 32.9098 175.9117 74 L 4.6846 8.1998 125.6165 54.6154 42.7043 178.9376 75 V 3.6460 7.8648 115.2716 64.3026 31.5881 177.7224 76 E 4.2198 8.2068 118.4778 57.9504 29.6924 176.5785 77 M 4.5203 8.1146 116.8904 56.0756 32.4357 175.9147 78 E 4.8313 7.8389 118.1421 56.1986 31.3150 177.2402 79 R 4.1810 8.2033 120.2401 58.5728 30.6367 176.6548 80 E 4.3115 8.2615 118.1492 56.0042 29.4275 176.3280 81 G 4.3057 8.6509 112.6799 42.6567 0.0000 172.0973 82 P 4.0747 0.0000 0.0000 65.0904 31.2540 177.6672 83 S 4.7073 7.7452 107.7311 57.4745 64.8166 173.1429 84 Y 4.7286 7.7371 121.4931 56.1877 41.7236 173.1674 85 T 4.8995 7.0520 121.5621 61.6813 70.7365 173.9973 86 F 4.5269 8.7854 125.8307 57.0886 40.4833 175.1550 87 D 4.7925 8.6359 120.6138 52.6191 41.6804 177.6091 88 T 3.9776 8.6066 115.1754 66.7085 68.4733 176.9894 89 V 3.7534 7.8368 119.6367 66.3558 31.6089 178.1906 90 S 4.2933 8.9609 115.3065 61.5187 62.6264 176.4646 91 L 3.6103 8.0176 122.6866 57.7772 41.6819 179.0622 92 L 4.2275 8.0646 119.1550 57.9162 41.4305 179.6632 93 K 4.0932 7.8905 116.7138 59.1708 31.9615 179.0822 94 Q 4.0546 7.7126 119.4508 59.3685 29.1199 178.1471 95 R 3.8314 7.8648 117.6839 57.8257 31.4514 176.5898 96 Y 4.9158 8.1824 115.6497 55.8168 38.3115 174.6518 97 P 4.3906 0.0000 0.0000 65.0635 32.0465 177.5209 98 N 4.5910 8.0485 115.7615 54.5341 39.5471 174.4189 99 D 4.6947 7.6560 117.1271 54.0696 42.5381 176.2280 100 Q 4.2372 8.8306 120.3150 54.8050 30.1099 174.8059 101 L 4.6178 7.9918 124.9163 53.1258 43.9362 175.6182 102 F 4.8063 9.2232 123.2568 55.6339 41.5738 174.6532 103 F 4.7624 8.8215 123.1824 56.1441 41.1813 174.8993 104 I 4.8627 7.7438 122.1786 60.2580 38.4503 175.2474 105 I 4.5596 8.8196 128.1198 59.2833 39.8860 175.3045 106 G 4.1378 8.7970 114.2096 45.5509 0.0000 173.9139 107 A 5.0038 8.4674 126.0032 51.0812 18.1204 176.2134 108 D 4.2901 8.4379 118.6525 54.8381 42.9398 176.0413 109 M 4.3518 8.0237 116.4636 56.3051 33.6172 176.0328 110 I 4.8052 7.5074 116.9242 59.1807 40.5264 175.1463 111 E 4.0200 8.8455 123.5207 58.3619 30.6382 175.4997 112 Y 5.3894 8.0964 119.0388 55.4750 42.0338 174.4122 113 L 4.7126 7.5096 127.2564 52.3368 43.8976 174.6036 114 P 4.3529 0.0000 0.0000 62.5198 32.5229 176.8322 115 K 3.6042 8.0920 122.3291 54.9603 30.3403 176.6305 116 W 4.5042 8.1001 116.9235 57.4256 29.4087 176.5650 117 Y 4.4085 7.9882 121.2001 55.5861 40.1336 175.0485 118 K 3.8142 7.5963 124.7979 57.0954 32.2686 176.5143 *126 I 3.9403 7.4903 119.5550 61.3966 38.1007 174.7010 127 Q 4.5221 8.3823 125.3317 53.8496 33.0488 174.3060 128 F 5.4096 8.5192 117.3672 55.9782 42.9706 175.1041 129 I 4.6610 8.7462 120.8549 59.7481 41.0746 175.0669 130 G 4.0698 8.3720 114.3962 45.3325 0.0000 172.8085 131 V 5.3112 8.7228 115.4636 59.2181 34.9457 175.1419 132 K 4.9072 8.8863 123.4551 55.4151 36.9742 175.4581 133 R 4.9395 9.1232 119.1267 54.1106 31.3567 175.1748 134 P 4.6126 0.0000 0.0000 64.3005 31.8433 176.0840 135 G 3.9844 8.8325 109.2531 45.5258 0.0000 173.5039 136 F 4.2080 7.7548 121.9872 58.2676 39.4296 174.1310 137 H 4.3642 8.0460 125.9155 55.0285 29.4502 174.8270 138 V 4.5228 7.8294 123.1938 61.0941 34.2636 174.1442 139 E 4.8958 9.0202 127.2491 55.2512 32.2440 174.8654 140 T 4.6611 8.1886 115.3751 60.6126 69.8328 171.7943 141 P 4.4218 0.0000 0.0000 64.7843 31.8607 176.1982 142 Y 4.4895 7.2511 117.8420 57.1511 38.3760 174.4208 143 P 4.6365 0.0000 0.0000 61.2947 30.1310 174.3457 144 L 4.6631 8.0854 123.2510 52.6127 44.7290 175.2003 145 L 4.6270 8.1971 126.9733 54.2025 43.6129 175.2443 146 F 5.4344 9.0558 123.6214 55.7509 42.4159 174.5991 147 A 4.8166 9.2066 122.3908 50.4007 21.5663 175.4039 148 D 4.7225 9.4435 124.2502 53.8455 40.8824 175.9673 149 V 4.2882 8.6848 125.1433 60.3425 33.1827 173.7746 150 P 4.3426 0.0000 0.0000 62.2827 31.8787 175.8397 151 E 4.0346 8.5769 123.1714 56.5550 30.0138 176.8527 152 F 4.9343 8.3488 127.6375 57.1768 40.5181 174.2170 153 E 4.4437 8.6859 130.4545 55.6575 27.2265 176.9688 154 V 4.3170 7.0596 118.0462 59.0409 34.9404 176.3994 155 S 4.5409 7.8576 116.1479 55.7413 67.4829 175.4299 156 S 4.0988 8.4864 117.8314 61.9910 62.6135 176.8673 157 T 3.7892 7.8457 117.9062 67.0446 68.2002 176.0353 158 M 4.1521 7.9271 119.8139 58.7386 32.1777 178.3551 159 I 3.6013 7.6337 119.9999 64.1439 37.2631 178.5764 160 R 3.7412 8.1750 119.3343 59.3485 29.8462 178.7927 161 E 4.0030 8.0640 118.2579 59.5821 29.4407 179.8024 162 R 3.8565 7.6622 117.5145 59.2163 30.0008 179.0472 163 F 4.2445 8.0263 117.5459 60.4915 38.7267 177.6833 164 K 4.0928 8.1371 118.1559 59.3575 32.1794 178.1883 165 S 4.4687 8.2081 111.4005 57.9468 63.2529 174.5485 166 K 3.9654 7.5029 120.3648 57.2555 29.9100 176.2116 167 K 4.2922 7.7958 118.2146 54.9224 32.7602 175.3257 168 P 4.3843 0.0000 0.0000 63.2842 31.8720 176.6248 169 T 4.3993 7.9927 107.6640 60.6682 70.1007 173.6578 170 D 4.2400 7.8711 122.1171 56.2752 41.0931 176.6950 171 Y 3.8726 7.9965 118.0774 58.5996 36.4297 170.1633 172 L 4.5887 7.9129 119.8930 55.3057 42.9979 176.5174 173 I 4.9503 7.2607 109.1569 57.2907 40.8172 173.7888 174 P 4.4194 0.0000 0.0000 62.6017 33.0362 177.2661 175 D 4.4144 8.8106 121.5604 57.8677 40.8624 179.6313 176 K 4.0127 8.0432 118.1622 59.3261 32.0328 179.4694 177 V 3.6713 7.7509 118.3213 65.7079 31.6034 177.8208 178 K 4.2205 8.2088 119.5713 59.4760 32.0125 178.6810 179 K 4.2686 8.3460 121.4413 59.0314 31.9659 178.1994 180 Y 3.9056 7.9591 119.7648 60.6743 38.7955 177.9365 181 V 3.3673 7.9888 119.1975 66.0377 31.1051 177.9193 182 E 3.8503 8.1334 117.9667 59.4683 29.2640 178.8716 183 E 4.1600 8.2369 115.9220 57.7147 29.5050 177.1656 184 N 4.6724 7.1424 115.0876 51.6853 39.7363 174.3087 185 G 3.9239 7.7111 105.1818 46.2260 0.0000 174.3231 186 L 3.6870 7.3229 117.8836 54.9506 42.6093 176.4615 187 Y 3.6026 7.6663 115.8004 61.6204 34.8858 170.2500 188 E 4.1414 8.0963 122.0848 56.9957 29.8172 175.7794 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 S 8.33 4.64 0.00 3.91 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 2 K 9.53 4.53 0.00 1.66 1.62 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 K 10.28 4.89 0.00 1.60 1.47 0.00 1.64 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.39 7.81 4 I 8.97 4.39 1.13 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.23 -0.97 0.00 0.00 5 G 8.50 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 0.00 0.00 0.00 6 I 8.43 4.51 1.37 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.26 1.03 0.00 0.00 7 F 9.31 5.00 0.00 2.60 2.37 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 8 G 9.04 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 0.00 0.00 0.00 0.00 9 G 7.98 3.50 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 0.00 0.00 0.00 10 T 7.74 3.99 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 1.30 0.00 0.00 11 F 7.27 3.86 0.00 3.25 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 12 D 7.63 5.12 0.00 2.90 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 13 P 0.00 5.18 0.00 2.34 2.36 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 P 0.00 4.74 0.00 2.03 1.93 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.06 0.00 15 H 8.26 5.02 0.00 3.38 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.04 4.70 0.00 2.96 3.26 0.00 0.00 7.35 8.45 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 17 G 8.00 3.62 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 0.00 18 H 8.11 4.66 0.00 3.51 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 4.30 0.00 2.03 2.03 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.57 4.12 0.00 2.04 2.13 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.39 4.06 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 22 A 8.36 3.88 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 23 N 8.72 4.75 0.00 3.45 3.09 0.00 0.00 7.27 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 24 E 8.59 4.12 0.00 2.25 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 2.66 2.54 0.00 25 V 8.05 3.53 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 0.93 0.00 0.00 0.84 0.00 0.00 26 L 8.10 3.78 0.00 1.95 1.93 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.14 3.98 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.50 4.11 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 29 A 8.06 4.42 1.07 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 0.00 0.00 0.00 30 G 7.53 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.46 4.17 0.00 1.40 1.49 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.55 4.58 0.00 2.60 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 33 E 7.73 5.04 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 34 I 9.11 4.79 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.53 0.00 0.00 35 W 9.25 5.41 0.00 3.10 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 36 F 9.93 4.54 0.00 2.65 2.36 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 37 M 9.25 5.33 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 38 P 0.00 5.13 0.00 2.00 2.13 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 39 N 8.83 5.01 0.00 2.85 2.88 0.00 0.00 6.72 6.92 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 40 Q 8.23 4.56 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 41 I 8.08 4.28 1.89 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 0.57 0.97 0.00 0.00 42 P 0.00 4.41 0.00 2.23 1.97 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 43 P 0.00 4.18 0.00 2.11 2.08 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 44 H 9.11 4.79 0.00 3.14 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 T 7.61 4.08 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 1.12 0.00 0.00 52 D 8.34 4.51 0.00 2.75 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 135 G 8.83 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 0.00 136 F 7.75 4.21 0.00 2.95 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 0.00 137 H 8.05 4.36 0.00 2.96 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.83 4.52 1.53 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 1.02 0.00 0.00 0.95 0.00 0.00 139 E 9.02 4.90 0.00 2.12 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 2.25 2.22 0.00 140 T 8.19 4.66 4.29 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 1.49 0.00 0.00 141 P 0.00 4.42 0.00 2.03 2.14 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.80 0.00 142 Y 7.25 4.49 0.00 2.97 2.78 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 0.00 0.00 0.00 143 P 0.00 4.64 0.00 2.11 2.08 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 144 L 8.09 4.66 0.00 1.52 1.46 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.20 4.63 0.00 1.85 1.52 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.06 5.43 0.00 2.93 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 0.00 147 A 9.21 4.82 1.22 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 0.00 148 D 9.44 4.72 0.00 2.61 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 0.00 149 V 8.68 4.29 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 1.03 0.00 0.00 0.97 0.00 0.00 150 P 0.00 4.34 0.00 2.09 1.96 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 151 E 8.58 4.03 0.00 1.90 1.86 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 2.30 2.41 0.00 152 F 8.35 4.93 0.00 2.95 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 0.00 153 E 8.69 4.44 0.00 2.05 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 2.49 2.36 0.00 154 V 7.06 4.32 1.53 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 -0.27 0.00 0.00 0.52 0.00 0.00 155 S 7.86 4.54 0.00 3.94 3.86 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 0.00 156 S 8.49 4.10 0.00 3.88 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 0.00 157 T 7.85 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 158 M 7.93 4.15 0.00 2.12 1.99 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 2.54 2.52 0.00 159 I 7.63 3.60 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.39 0.86 0.00 0.00 160 R 8.17 3.74 0.00 1.86 1.88 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.54 0.00 161 E 8.06 4.00 0.00 2.14 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 2.33 2.61 0.00 162 R 7.66 3.86 0.00 1.79 1.92 0.00 2.99 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 163 F 8.03 4.24 0.00 3.33 3.23 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 0.00 164 K 8.14 4.09 0.00 1.86 2.05 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.50 7.81 165 S 8.21 4.47 0.00 4.04 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 0.00 166 K 7.50 3.97 0.00 1.91 2.01 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.57 7.81 167 K 7.80 4.29 0.00 1.70 1.69 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.39 7.81 168 P 0.00 4.38 0.00 2.02 1.97 0.00 3.59 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 2.03 2.07 0.00 169 T 7.99 4.40 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 0.32 0.00 0.00 170 D 7.87 4.24 0.00 2.43 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 0.00 171 Y 8.00 3.87 0.00 3.23 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 0.00 172 L 7.91 4.59 0.00 1.84 1.61 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.26 4.95 1.96 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 1.56 0.70 0.95 0.00 0.00 174 P 0.00 4.42 0.00 2.20 2.04 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 175 D 8.81 4.41 0.00 2.69 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 0.00 176 K 8.04 4.01 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.51 7.81 177 V 7.75 3.67 2.30 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 1.14 0.00 0.00 0.92 0.00 0.00 178 K 8.21 4.22 0.00 2.05 2.07 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.74 7.81 179 K 8.35 4.27 0.00 1.98 2.04 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.32 7.81 180 Y 7.96 3.91 0.00 3.24 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 0.00 181 V 7.99 3.37 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 0.12 0.00 0.00 1.05 0.00 0.00 182 E 8.13 3.85 0.00 2.19 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 2.38 2.68 0.00 183 E 8.24 4.16 0.00 1.71 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 2.30 2.57 0.00 184 N 7.14 4.67 0.00 2.16 2.39 0.00 0.00 6.97 7.50 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 0.00 185 G 7.71 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 0.00 186 L 7.32 3.69 0.00 1.00 0.26 0.58 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.67 3.60 0.00 3.04 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 0.00 188 E 8.10 4.14 0.00 2.09 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 2.27 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.