NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.3387 8.0333 110.9388 61.0355 69.8872 175.9280 10 S 3.9077 8.8074 113.2152 60.7316 62.5861 173.6899 11 P 4.1630 0.0000 0.0000 65.6696 31.4394 178.2023 12 E 4.3226 8.2132 116.8467 59.5726 29.4690 179.4964 13 R 4.0183 8.1408 118.2074 59.1807 30.0354 179.1074 14 L 4.0931 8.8165 119.0124 57.7273 41.6461 179.2900 15 A 4.0970 8.7734 120.9826 55.3150 18.3392 179.6103 16 A 3.9963 8.3119 118.9980 55.1877 18.3652 179.7887 17 A 4.0004 8.2700 119.4350 55.0824 18.3808 179.5818 18 L 3.8074 8.2677 119.1803 58.1295 42.0836 178.6836 19 F 4.0148 8.3528 120.6057 61.6255 39.4042 176.7557 20 D 4.3688 8.4028 118.1477 57.4261 40.5881 179.1446 21 V 3.5079 8.1031 118.6511 66.0045 31.5998 177.8538 22 A 3.9566 8.3611 121.9472 54.5067 17.8760 179.5042 23 A 3.6580 7.6089 118.5627 54.9493 18.4286 179.2168 24 E 4.2544 7.7774 115.9357 58.1377 29.9527 177.6266 25 S 4.5078 8.2120 109.0658 57.1590 64.6128 174.9247 26 G 3.9483 8.1105 107.2289 45.8999 0.0000 174.6949 27 L 3.7954 8.1131 121.7424 57.4355 42.5563 178.7561 28 E 3.9143 8.3544 117.3749 59.0622 29.3394 178.0482 29 G 3.7829 7.8155 103.7125 45.2374 0.0000 173.1637 30 A 4.2504 8.0402 123.2460 51.8051 18.3359 178.0709 31 S 4.7026 8.5533 117.9913 57.6190 66.1216 175.2256 32 V 3.6754 8.2735 121.4688 66.2931 31.1330 178.0745 33 R 3.9502 8.0740 117.1555 59.5944 29.4897 178.7033 34 E 3.9664 8.1878 118.0859 59.2798 29.3849 179.7095 35 V 3.5923 7.9868 117.9785 65.8996 31.7373 177.7041 36 A 4.0084 8.2207 120.7394 55.1857 17.9989 179.0550 37 K 3.7372 7.9806 116.8090 60.1051 32.2454 178.3288 38 R 4.0230 7.9012 116.8129 59.4132 30.1152 178.0648 39 A 4.1748 8.1262 119.4732 53.3774 18.4788 178.2888 40 G 3.9926 8.0763 105.4805 45.3891 0.0000 174.5168 41 V 3.7431 7.3935 118.7044 62.5740 32.4918 175.7079 42 S 4.4217 8.4157 120.2933 57.8945 63.6801 175.1636 43 I 3.7549 8.5606 123.2897 64.6787 37.5012 178.8275 44 G 3.6173 8.1941 106.4099 47.6513 0.0000 175.4218 45 A 4.1111 7.9516 122.3439 54.3355 18.2127 179.9896 46 V 3.6828 7.5376 116.9216 66.5057 31.4951 178.2354 47 Q 4.1996 8.0996 115.7695 59.1748 28.5850 177.8710 48 H 4.1245 7.9135 118.2579 59.3455 29.9549 176.4121 49 H 4.3640 7.5423 114.9425 55.4140 29.0264 175.4695 50 F 5.2285 7.7587 119.3379 55.4857 41.4240 175.1515 51 S 4.3306 9.8457 123.5645 61.1014 62.8419 174.7339 52 T 4.7695 7.5024 106.9453 59.0738 71.7720 173.5482 53 K 3.9847 8.7984 123.5971 59.7589 32.5534 177.3141 54 D 4.4129 8.2870 117.8446 57.5072 41.1628 178.9932 55 E 4.2304 8.2160 117.0768 56.8179 29.2307 178.2888 *57 F 4.6541 8.2390 117.5778 57.0842 41.1470 177.3357 58 A 3.9685 8.5222 122.4965 55.0798 18.1407 179.4032 59 F 3.9993 8.4027 119.0162 61.3359 39.4525 177.1168 60 A 3.9437 8.0081 119.8780 55.1144 18.1543 179.2014 61 L 3.2152 7.7519 119.0357 58.0377 42.0290 179.2646 62 R 3.7471 7.9207 118.2419 59.5455 30.0756 179.1598 63 T 3.5902 7.4860 115.3280 66.3089 68.3993 176.5416 64 L 3.7992 7.6505 122.1301 58.3269 42.1897 179.4754 65 V 3.5980 7.9203 112.6712 64.1996 31.3163 178.0240 66 D 4.2737 8.1000 117.9756 57.1869 41.1510 178.4930 67 K 3.8700 7.7743 118.4006 59.4142 32.0982 179.2689 68 L 3.9496 7.8831 119.0498 57.9452 41.5351 179.6603 69 L 3.9820 8.3433 119.0093 57.6804 41.2609 179.4625 70 A 3.9636 7.9535 120.1396 55.2397 18.6238 179.6339 71 R 4.5462 7.7190 117.5955 58.8362 30.0111 179.2547 72 L 4.0262 8.0571 118.8775 57.8385 41.3475 179.6805 73 S 4.1635 8.1632 114.7987 60.9598 63.0441 175.5572 74 E 4.3378 7.8292 117.9785 55.4971 29.8283 176.3815 75 V 3.7202 6.9380 121.3544 62.9673 31.9478 175.2421 76 E 4.2134 8.6088 128.3117 55.5698 28.5524 176.0989 77 R 4.0663 8.6756 127.1791 57.1197 31.4472 178.1428 78 G 3.8657 7.9683 107.1819 47.0608 0.0000 173.9515 79 G 4.0730 8.6507 110.1121 44.9164 0.0000 172.6271 80 D 4.6868 7.5924 120.0059 50.6928 42.5824 173.4596 81 P 4.2319 0.0000 0.0000 65.1933 31.5939 178.0183 82 A 4.0305 8.0812 119.1025 55.4300 18.2182 179.7770 83 R 3.9126 8.1550 115.7041 59.2368 30.0975 179.1805 84 A 4.0058 8.1789 120.5736 55.2140 18.2024 179.6452 85 L 3.9325 8.1547 116.6578 57.8564 41.7561 179.3097 86 F 4.0586 8.1789 119.2585 61.2249 39.4711 176.6866 87 A 4.2347 8.2494 119.0988 55.0327 18.4341 179.1971 88 A 4.0841 7.9478 116.1607 53.3279 18.1068 179.3133 *90 S 4.1190 8.0196 118.4230 59.8456 64.7541 176.0564 91 Q 4.1224 7.9040 117.5766 57.5841 28.5395 176.6679 92 L 4.6063 7.7444 115.9913 54.0906 42.2918 175.7101 93 L 4.7789 7.3159 118.7617 52.1676 44.2010 175.9547 94 P 4.5408 0.0000 0.0000 62.5200 29.1480 176.0612 95 L 4.3740 7.6787 120.9513 56.3634 42.9727 176.3999 96 D 4.7140 7.4694 117.8286 50.9062 43.4881 175.2683 97 E 3.9186 8.7886 118.6198 59.4173 29.4812 178.3140 98 A 4.0447 7.9795 120.1300 55.5239 18.5255 179.7802 99 R 4.1858 8.5572 116.3410 58.9476 30.1000 179.3757 100 S 4.0840 8.2275 113.4372 61.3966 62.4449 176.1472 101 R 3.9048 8.2545 120.9898 59.4607 29.6299 178.8457 102 E 4.3369 8.2307 116.6962 59.5684 29.5872 178.9077 103 A 4.1624 8.2179 119.9631 55.3635 18.6884 178.9743 104 H 4.3418 8.1535 116.5182 59.3223 29.9489 178.7466 105 V 3.3192 7.4806 117.8320 63.2141 31.2165 177.3940 *107 A 4.2175 8.0196 121.2801 51.6681 20.6123 179.7328 108 A 3.9433 8.0042 117.5229 55.3912 18.2567 179.8857 109 F 4.1048 8.4037 116.1616 60.5327 38.6965 177.6967 110 A 4.0425 7.9868 119.1864 55.2757 18.5413 179.4244 111 V 3.6988 7.8420 116.7424 66.0995 31.6346 178.3038 112 R 3.9307 8.2758 118.2763 59.1916 29.8887 178.1770 113 A 4.1084 8.4908 120.7325 54.9946 18.0589 179.2164 114 A 4.2001 7.8547 118.4674 54.2868 18.3940 178.1479 115 T 4.4601 7.6227 105.1741 60.5124 69.7594 174.3592 116 S 4.4800 7.9269 116.0010 55.7283 64.7502 172.3331 117 P 4.2886 0.0000 0.0000 65.5079 31.1871 178.8225 118 S 4.1451 7.9993 112.7241 61.5731 63.0941 176.4794 119 L 4.0292 7.9459 122.1987 57.2133 41.3347 179.3350 120 A 4.0369 8.2626 120.9736 54.9698 18.3013 179.3105 121 E 3.8530 8.3357 117.8324 59.5065 29.7862 179.1443 122 I 3.6947 7.6517 119.6452 64.4253 37.0757 178.6453 123 R 3.9151 8.0530 118.8561 59.1403 29.8324 178.9547 124 R 3.8952 8.4249 118.8402 59.4928 30.0272 178.4743 125 K 3.9989 8.1591 119.2503 59.6745 32.1326 178.8024 126 T 3.8651 7.9926 115.9779 66.7586 68.3590 176.5027 127 L 3.9842 8.2220 121.0610 57.7304 41.5957 179.3403 128 F 4.0591 8.6460 120.8997 61.6354 39.3225 177.2879 129 T 3.8227 8.2887 115.3756 66.7498 68.2099 176.8128 130 I 3.6764 7.8833 121.6557 64.4016 37.1861 178.6261 131 R 3.8494 8.1503 119.2271 59.5025 29.8645 179.1612 132 T 3.6916 7.9492 115.9395 66.4736 68.3897 176.8367 133 G 3.5525 7.8607 107.4272 47.8364 0.0000 175.7485 134 L 3.9875 8.1786 122.1733 57.5169 41.0955 179.7298 135 S 4.0876 8.5432 115.2767 61.4623 62.7373 176.6463 136 A 3.9639 7.9944 123.3719 55.0664 17.8601 179.7308 137 V 3.5178 7.6806 116.6944 66.2986 31.6370 178.3309 138 L 4.1286 7.9198 118.5729 57.8444 41.4636 179.4859 139 I 3.8251 8.3554 120.3527 64.2925 36.8382 178.5040 140 G 3.8196 8.1649 105.3161 46.3292 0.0000 174.0066 141 I 4.4185 6.9299 113.9787 60.0377 37.9868 175.8595 142 G 4.0529 8.1811 107.5710 47.2761 0.0000 174.7616 143 T 4.0196 7.8522 116.5743 62.1947 69.0266 173.3850 144 P 4.2917 0.0000 0.0000 63.9044 32.3087 175.8825 145 E 3.7499 8.9199 119.1398 56.8265 27.4615 176.7359 146 A 3.9622 8.1055 121.5046 55.5063 18.7202 178.9680 147 E 3.9292 8.0003 118.3759 59.2167 29.7408 179.0227 148 T 3.8862 7.8007 115.2470 66.7466 68.5577 176.8581 149 R 3.9109 8.3641 120.0904 58.8843 30.1400 178.8755 150 A 3.9226 8.3640 120.8692 55.2477 18.3827 179.3621 151 A 3.9518 7.9348 119.1534 55.4806 18.2925 179.9326 152 L 3.9241 8.1202 117.4009 57.6779 41.7045 179.3805 153 L 3.9107 8.0966 120.4773 58.0634 41.9947 178.8155 154 L 3.8813 7.8184 119.6381 58.0940 42.0093 178.7270 155 A 3.9696 8.1543 120.7672 55.4289 18.3146 179.5128 156 T 3.7860 8.1759 114.5791 66.8765 68.5652 176.8764 157 V 3.5216 7.6782 119.7425 66.2205 31.5942 177.8431 158 D 4.4541 8.3416 118.8801 57.2313 40.5564 179.0931 159 G 3.5492 8.7909 106.6861 47.7359 0.0000 175.8061 160 L 3.8049 8.5304 121.6734 57.2939 41.6125 179.5171 161 A 3.9114 8.0647 120.7110 54.9400 18.0912 179.3968 162 L 3.8201 7.9119 118.7680 58.5617 42.3407 178.8433 163 D 4.2313 8.5550 118.9444 57.3194 40.7495 178.8537 164 A 3.9912 7.7529 121.5168 54.8582 18.1807 179.7046 165 I 3.9032 7.7535 110.9469 63.5775 37.6234 178.6156 166 G 3.7264 7.3635 107.1791 46.5911 0.0000 174.7616 167 S 4.8112 7.6188 118.9661 55.4100 62.3424 173.1512 168 P 4.4464 0.0000 0.0000 64.8114 31.9757 178.1475 169 A 4.1280 8.1325 119.8731 55.1520 18.3834 178.4580 170 L 3.8441 7.9253 115.8859 57.2754 42.9026 176.4973 171 Y 4.8156 7.5187 115.0690 55.5675 37.9569 173.7671 172 P 4.5799 0.0000 0.0000 61.9700 34.0524 175.4581 173 P 4.2861 0.0000 0.0000 65.9474 31.2765 178.5785 174 E 3.9828 8.2563 117.5586 59.2567 29.5113 178.1079 175 Y 3.9767 8.0470 119.1263 60.7219 38.9477 177.6044 176 L 4.0480 8.3248 120.0484 58.1004 41.7137 179.5577 177 E 4.0509 8.5100 118.4453 59.5288 29.3898 178.7622 178 H 4.0679 8.3039 118.0079 59.2817 29.8989 176.8882 179 A 3.7470 7.8249 122.8154 55.1262 18.0523 179.2933 180 L 3.8470 8.0996 118.7878 58.3499 42.1792 178.6778 181 D 4.4352 8.4258 117.9920 57.4824 40.9477 178.2212 182 I 3.6537 7.5678 119.1995 64.3668 37.1576 177.8090 183 Q 4.1040 8.0007 119.2782 59.3250 29.2065 178.1599 184 I 4.0317 8.1346 121.1212 64.1607 36.7545 178.9325 185 G 3.5128 7.9565 102.8386 46.0952 0.0000 174.9499 *187 I 4.0535 7.6510 122.8277 60.8288 39.1596 176.5933 188 L 4.3685 7.8635 117.8470 54.7161 41.9446 176.4539 189 Q 4.2393 7.3080 119.6550 57.3108 28.7534 176.9176 190 G 3.9023 8.9985 111.6156 45.1681 0.0000 173.3387 191 A 4.2224 7.4821 122.0176 51.9007 19.3078 177.7298 192 D 4.6573 8.5183 121.3969 53.0323 39.5150 175.7100 193 V 4.5223 7.1551 113.9745 58.9469 36.1902 175.3377 194 V 4.0123 8.1060 121.1444 61.3412 32.1811 174.2231 195 P 4.4291 0.0000 0.0000 62.8752 31.1899 176.1355 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 9 T 8.03 4.34 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 1.20 0.00 0.00 10 S 8.81 3.91 0.00 3.80 3.93 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 11 P 0.00 4.16 0.00 1.75 1.21 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.00 12 E 8.21 4.32 0.00 2.28 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 2.50 2.71 0.00 13 R 8.14 4.02 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 14 L 8.82 4.09 0.00 2.08 1.91 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.77 4.10 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.31 4.00 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 17 A 8.27 4.00 1.50 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 18 L 8.27 3.81 0.00 1.73 1.82 0.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.35 4.01 0.00 3.29 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.40 4.37 0.00 2.94 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 21 V 8.10 3.51 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 1.05 0.00 0.00 0.97 0.00 0.00 22 A 8.36 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.61 3.66 0.96 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 24 E 7.78 4.25 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 2.31 2.27 0.00 25 S 8.21 4.51 0.00 3.88 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 26 G 8.11 3.95 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 0.00 0.00 0.00 27 L 8.11 3.80 0.00 1.36 1.43 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.35 3.91 0.00 1.97 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 2.30 2.30 0.00 29 G 7.82 3.78 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 0.00 0.00 0.00 30 A 8.04 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.55 4.70 0.00 4.09 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 32 V 8.27 3.68 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 1.22 0.00 0.00 1.01 0.00 0.00 33 R 8.07 3.95 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 34 E 8.19 3.97 0.00 2.21 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 2.34 2.33 0.00 35 V 7.99 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.00 0.00 0.00 36 A 8.22 4.01 1.43 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 0.00 0.00 37 K 7.98 3.74 0.00 1.88 2.12 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 38 R 7.90 4.02 0.00 1.92 2.12 0.00 3.38 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 39 A 8.13 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 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 41 V 7.39 3.74 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 0.88 0.00 0.00 0.96 0.00 0.00 42 S 8.42 4.42 0.00 4.05 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 43 I 8.56 3.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.94 0.00 0.00 44 G 8.19 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 45 A 7.95 4.11 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 46 V 7.54 3.68 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.06 0.00 0.00 47 Q 8.10 4.20 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 48 H 7.91 4.12 0.00 3.07 3.35 0.00 5.94 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 49 H 7.54 4.36 0.00 2.61 2.32 0.00 5.84 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 50 F 7.76 5.23 0.00 3.03 3.03 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 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2.13 0.00 3.23 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 113 A 8.49 4.11 1.50 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 0.00 114 A 7.85 4.20 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 0.00 115 T 7.62 4.46 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 1.21 0.00 0.00 116 S 7.93 4.48 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.29 0.00 2.20 2.09 0.00 3.66 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 2.15 0.00 118 S 8.00 4.15 0.00 4.07 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 0.00 119 L 7.95 4.03 0.00 1.84 1.89 1.27 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.26 4.04 1.42 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 0.00 129 T 8.29 3.82 4.45 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 1.22 0.00 0.00 130 I 7.88 3.68 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.87 0.00 0.00 131 R 8.15 3.85 0.00 1.83 1.87 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 132 T 7.95 3.69 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 1.05 0.00 0.00 133 G 7.86 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.18 3.99 0.00 1.76 1.69 0.88 0.76 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 0.00 135 S 8.54 4.09 0.00 3.91 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 0.00 136 A 7.99 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.68 3.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 138 L 7.92 4.13 0.00 1.73 1.68 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.36 3.83 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.90 0.00 0.00 140 G 8.16 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 0.00 141 I 6.93 4.42 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 1.50 1.35 0.91 0.00 0.00 142 G 8.18 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 0.00 0.00 0.00 143 T 7.85 4.02 4.27 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 1.24 0.00 0.00 144 P 0.00 4.29 0.00 2.03 1.98 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 145 E 8.92 3.75 0.00 2.10 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 2.31 2.23 0.00 146 A 8.11 3.96 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 0.00 147 E 8.00 3.93 0.00 2.03 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 2.36 2.23 0.00 148 T 7.80 3.89 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 0.00 149 R 8.36 3.91 0.00 1.83 1.97 0.00 3.22 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 150 A 8.36 3.92 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 0.00 151 A 7.93 3.95 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 0.00 152 L 8.12 3.92 0.00 1.87 1.72 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.10 3.91 0.00 1.82 1.79 0.91 0.51 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 0.00 154 L 7.82 3.88 0.00 1.81 1.78 0.90 0.78 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 0.00 155 A 8.15 3.97 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 0.00 156 T 8.18 3.79 4.44 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 1.21 0.00 0.00 157 V 7.68 3.52 2.21 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 0.99 0.00 0.00 0.89 0.00 0.00 158 D 8.34 4.45 0.00 2.84 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 0.00 159 G 8.79 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.53 3.80 0.00 1.82 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.06 3.91 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 0.00 162 L 7.91 3.82 0.00 1.83 1.78 0.90 1.14 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 0.00 163 D 8.55 4.23 0.00 1.86 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 0.00 0.00 0.00 0.00 164 A 7.75 3.99 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 0.00 165 I 7.75 3.90 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.58 0.92 0.00 0.00 166 G 7.36 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 0.00 167 S 7.62 4.81 0.00 4.14 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 0.00 168 P 0.00 4.45 0.00 2.06 2.15 0.00 3.72 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 169 A 8.13 4.13 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 0.00 170 L 7.93 3.84 0.00 1.56 1.82 0.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.52 4.82 0.00 2.99 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 0.00 172 P 0.00 4.58 0.00 2.33 2.22 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 173 P 0.00 4.29 0.00 2.23 2.31 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 174 E 8.26 3.98 0.00 2.13 2.02 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 2.41 2.48 0.00 175 Y 8.05 3.98 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.32 4.05 0.00 1.96 1.76 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 177 E 8.51 4.05 0.00 2.27 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 0.00 0.00 0.00 2.47 2.57 0.00 178 H 8.30 4.07 0.00 3.20 3.26 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.82 3.75 1.19 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 0.00 180 L 8.10 3.85 0.00 1.75 1.86 0.86 0.83 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 0.00 181 D 8.43 4.44 0.00 2.96 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 0.00 182 I 7.57 3.65 1.88 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 1.29 0.68 0.88 0.00 0.00 183 Q 8.00 4.10 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 184 I 8.13 4.03 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.95 0.00 0.00 185 G 7.96 3.51 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 0.00 *187 I 7.65 4.05 2.00 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 1.65 0.86 0.91 0.00 0.00 188 L 7.86 4.37 0.00 1.72 1.68 0.93 0.71 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 0.00 189 Q 7.31 4.24 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 190 G 9.00 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 0.00 191 A 7.48 4.22 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 0.00 192 D 8.52 4.66 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.16 4.52 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 0.77 0.00 0.00 0.98 0.00 0.00 194 V 8.11 4.01 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 0.80 0.00 0.00 0.92 0.00 0.00 195 P 0.00 4.43 0.00 2.07 1.94 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.