NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.3019 8.0427 120.9898 55.6594 41.7231 178.1704 23 H 3.8655 9.9250 118.0722 59.2705 30.8186 174.7301 24 A 3.8733 8.7628 122.2408 55.2008 19.4730 179.0838 25 L 4.1711 7.6867 116.8413 57.5785 41.6441 179.9819 26 V 3.7560 7.6079 111.9489 63.7053 31.8103 177.9763 27 D 4.2753 8.4274 119.1871 57.2406 40.7260 178.3551 28 L 3.9865 8.3592 121.2333 58.1845 41.7887 179.2282 29 G 3.5721 7.7464 104.2295 47.9336 0.0000 175.2419 30 E 4.1188 8.2541 120.6360 58.4833 29.5958 178.8685 31 R 3.8339 7.9226 119.8661 59.6186 30.2386 178.1289 32 L 3.9332 7.7625 118.3890 58.5386 41.4816 179.3791 33 T 4.1974 7.5824 112.2374 65.1936 68.5177 175.6037 34 T 4.4167 7.9299 116.8445 62.4407 69.9907 174.2460 35 L 4.4943 6.9683 120.8017 52.9344 43.1297 176.8323 36 K 4.0136 8.4249 121.0436 56.5055 32.8687 178.2046 37 A 3.9567 8.8253 124.4288 55.1607 18.0602 179.7169 38 D 4.2822 7.9037 115.8114 57.5528 41.7375 178.9681 39 V 3.7134 8.0037 118.7117 66.0916 31.7480 177.7444 40 L 3.9236 8.0349 118.0142 57.9332 41.2296 179.3518 41 A 4.0804 8.2410 120.7543 54.6318 18.4649 178.5176 42 K 4.2258 7.9154 114.2395 57.8769 32.6615 177.5414 43 L 4.2912 7.4283 118.9476 53.7362 42.5632 175.9031 44 P 4.5794 0.0000 0.0000 61.3918 30.0427 174.8687 45 L 4.7038 7.4321 121.7967 54.1200 43.6075 177.7786 46 T 3.9678 8.6607 114.2557 62.2714 70.3347 174.7166 47 D 4.3815 8.8185 122.1116 57.9444 40.8081 179.2615 48 A 4.0185 7.9774 120.4205 54.9050 18.3120 179.3848 49 L 3.7776 7.4787 117.4278 58.4211 42.2700 179.0649 50 R 3.9187 7.9673 118.0585 59.3463 30.0173 178.8900 51 K 3.8828 8.3868 118.9122 59.6058 32.1105 178.4282 52 A 4.2485 8.0953 119.9681 55.7256 17.9790 179.3410 53 L 4.1453 8.4995 117.1616 57.4575 41.5051 179.2268 54 A 4.1832 7.7871 119.9155 54.3493 18.8563 178.7308 55 E 4.0539 8.4847 117.5095 58.3923 29.6956 178.3995 56 A 4.0673 7.5892 120.7619 54.8462 18.2740 177.7041 57 P 4.3652 0.0000 0.0000 65.1864 31.4634 178.2004 58 K 4.2911 7.8911 117.7735 57.8820 32.0731 176.5053 59 H 4.6304 7.6167 116.5657 55.0410 28.0892 175.1278 60 T 4.1379 8.4434 121.0212 65.8106 69.2427 176.7724 61 A 4.1973 7.7296 122.4813 51.9673 20.3927 177.9234 62 N 4.2918 8.6416 119.2052 56.6592 38.7263 178.1205 63 I 3.7858 7.7264 120.4606 64.0431 37.2976 178.2669 64 A 3.9186 7.8819 121.2678 55.0298 18.2884 179.4588 65 R 3.8537 8.3089 117.5466 59.6186 30.2220 178.6914 66 K 3.9177 8.0661 118.2293 59.9122 32.0862 178.6906 67 R 3.8708 8.0638 118.7116 59.6218 29.8893 177.5376 68 H 4.2271 8.5630 117.7361 59.7737 29.8746 177.3274 69 I 3.9498 8.3047 114.6688 63.5472 37.4484 178.3382 70 L 3.9379 8.1745 121.2262 57.6243 41.4987 178.8309 71 F 4.1928 8.7769 120.9697 61.4482 39.0304 177.1795 72 I 3.3198 7.9849 118.6047 64.4582 36.9875 178.1359 73 G 4.0226 8.1861 105.1028 48.3211 0.0000 175.3901 74 K 4.0433 8.5192 121.2594 58.1973 33.1204 178.5267 75 L 4.0402 7.3660 121.8817 54.7836 40.3183 178.0760 *77 R 4.2685 7.7281 116.4066 55.9263 32.2910 176.4936 78 D 4.6352 8.0872 116.4265 54.4192 41.5211 176.4697 79 Q 4.4063 7.5398 117.8601 54.5292 30.5863 176.1236 80 D 4.5841 8.1688 119.1906 53.5764 40.4037 176.6313 81 Q 3.9760 8.2859 125.6983 58.3502 28.9764 177.5561 82 E 3.8826 8.1689 119.7155 59.2352 29.8564 178.5903 83 A 3.9709 8.0807 120.1690 55.1635 18.4611 179.4220 84 I 3.6180 7.8320 118.2263 64.7007 37.1711 178.5706 85 L 3.9471 8.3551 120.0591 57.8413 41.3487 180.0037 86 V 3.5619 7.9794 118.1311 66.0125 31.5576 178.1673 87 L 3.9924 7.8015 118.4262 57.7894 41.3971 179.4559 88 L 4.0054 8.1665 119.1279 57.7185 41.5271 179.0413 89 D 4.3150 8.3863 118.2142 57.4384 41.2900 178.2093 90 Q 4.0071 8.2065 118.5666 59.0187 28.7479 178.8421 91 L 3.9628 7.9688 121.1038 58.3838 42.1569 178.8190 92 D 4.4090 8.6147 118.9482 57.0346 40.6126 178.6196 93 A 4.1285 8.1773 121.9451 54.9217 18.3936 179.6400 94 S 4.5621 8.3479 113.9655 60.6379 63.3122 176.6646 95 T 4.0879 7.9674 113.4258 64.2603 68.5613 177.1143 96 R 3.9594 8.4181 121.7666 59.4092 29.9754 178.9657 97 Q 4.0324 8.4939 118.1416 58.8261 28.5762 177.9617 98 Y 4.0635 8.1741 120.6813 60.9676 38.7973 178.1114 99 N 4.4114 8.6348 117.3453 56.3404 38.6395 177.0279 100 E 4.0507 8.5170 120.2325 59.8964 29.6574 179.8781 101 R 4.0275 7.8617 117.5599 58.8113 30.0692 178.7998 102 F 4.0111 8.3795 120.9112 61.8571 39.4020 177.0639 103 H 4.7404 8.6888 117.3865 58.1295 28.4146 177.3244 104 N 4.3279 8.5021 119.1608 56.8826 38.8340 176.7788 105 L 4.3010 8.1820 120.5146 57.9458 41.1763 179.4446 106 E 3.9355 8.5703 117.6616 59.3254 29.3623 179.4991 107 R 3.8865 8.2764 119.0397 58.8537 30.1932 178.7160 108 W 4.6676 8.5370 119.1591 60.0732 29.0909 178.2999 109 R 3.8901 8.3545 118.2457 59.7450 29.5217 178.1536 110 D 4.3386 8.3252 118.5152 57.3845 40.6463 178.7136 111 R 3.9158 8.0643 118.1180 59.5923 30.2048 178.1927 112 L 4.2402 8.6248 118.9494 57.8118 41.3907 179.5986 113 I 3.6863 7.5744 118.2890 64.3790 37.3000 178.1773 114 A 4.3017 8.1196 119.0584 54.5041 18.6448 178.1325 115 G 4.2502 8.1034 107.8531 44.8983 0.0000 170.9541 116 D 4.5357 9.0516 121.2503 51.6820 41.6979 175.3596 117 D 4.3944 8.9274 115.6215 57.8316 41.1907 179.1511 118 A 4.0772 8.4970 121.6690 55.1641 18.2827 179.3542 119 D 4.5486 8.1336 117.0430 57.2030 41.0921 178.1367 120 L 3.9702 7.8339 120.5671 58.6028 42.0956 179.0596 121 E 4.0096 8.2558 118.0400 59.3934 29.2755 179.5216 122 K 4.0697 8.0904 118.0422 59.4875 32.1253 179.1200 123 F 2.7191 8.2590 120.9725 60.8714 39.3386 177.2657 124 V 3.7104 7.9108 117.7652 65.2651 31.0871 178.0475 125 I 3.6999 7.3745 112.3364 63.9607 37.4645 177.7925 126 E 3.9379 7.5305 119.6106 57.5490 30.8725 176.7495 127 Y 4.4409 7.2322 116.1932 55.3672 37.8460 174.3380 128 P 4.8852 0.0000 0.0000 63.8850 32.1144 177.7385 129 D 4.5806 7.8733 117.5021 54.2201 41.3754 176.4075 130 A 4.0182 8.0894 123.4833 52.6539 18.9850 177.5248 131 D 4.5576 9.2705 122.0771 53.9119 41.8094 177.3474 132 R 4.0343 8.5527 128.1779 59.3504 30.2705 178.1115 133 Q 3.9983 8.0725 117.6213 58.6423 28.8621 177.9937 134 Q 3.8439 8.0533 120.6089 58.7270 29.0856 177.7276 135 L 3.8382 7.8618 121.4070 58.1472 42.1283 179.0015 136 R 3.8645 8.0415 117.9912 59.4090 30.0108 178.7999 137 S 4.0459 7.9161 112.5958 61.3910 62.3411 176.1031 138 L 3.9105 7.9234 121.4775 57.8892 41.4049 179.4793 139 I 3.6170 8.1114 119.8492 64.4334 37.0403 178.0674 140 R 3.8745 7.9927 119.3970 59.9751 29.7989 178.4520 141 Q 3.9552 7.9208 116.7873 58.9013 28.6445 178.6329 142 A 4.0361 8.0804 121.9017 55.0000 18.3447 179.6555 143 Q 3.9209 8.5577 117.0780 59.4177 28.7575 178.4283 144 H 4.0710 8.3807 119.2081 59.5602 29.8874 177.1223 145 E 3.9191 8.2554 120.2455 59.1065 28.9518 179.1722 146 V 3.5233 8.1729 118.6851 66.3375 31.3042 178.0447 147 A 4.0521 7.9054 118.6717 54.2707 18.4160 178.7744 148 R 4.2167 7.9057 113.8611 54.7202 31.6056 175.6921 149 N 4.0676 7.4031 116.1481 54.4421 37.4870 173.4583 150 K 4.4405 8.2160 117.5067 54.0762 34.2643 175.5327 151 P 4.0965 0.0000 0.0000 62.8562 32.3220 176.1655 152 P 4.7512 0.0000 0.0000 62.2551 30.0437 177.0712 153 A 4.1075 7.7780 123.8467 56.2585 18.8795 179.4232 154 T 3.9832 8.4539 114.2993 66.0841 68.3586 177.3808 155 S 4.0978 7.7159 115.5961 61.5964 63.0493 176.3938 156 R 3.9816 8.1705 121.7609 59.1319 29.7415 178.8683 157 K 4.0086 7.8716 117.6310 59.3855 32.0307 179.4478 158 I 3.7032 8.0891 120.3907 64.4164 37.0874 178.0007 159 F 4.1555 8.4379 121.6193 61.2984 39.1383 176.9449 160 K 3.7044 8.2972 119.1171 59.7436 32.0076 178.1476 161 Y 4.0923 8.1278 119.9667 60.6339 38.6514 177.7794 162 I 3.2955 8.0256 114.4853 63.7652 37.5266 178.4310 163 R 3.5382 7.4884 119.8703 58.8281 29.8593 178.7587 164 E 3.8272 7.8314 118.2967 59.4221 29.2752 179.2357 165 L 3.8277 7.1596 117.4328 57.9270 41.7687 178.8529 166 D 4.6243 7.9700 115.7356 54.5428 41.3521 175.6605 167 E 3.6868 7.6425 116.6986 57.4469 27.4554 174.8199 168 L 4.1009 8.1055 122.2949 54.2135 41.3128 176.5152 169 Q 4.2239 8.7545 123.3195 56.5764 28.2915 176.7196 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 22 L 8.04 4.30 0.00 1.86 1.54 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.92 3.87 0.00 3.31 3.37 0.00 5.90 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 24 A 8.76 3.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.69 4.17 0.00 1.81 1.69 0.90 0.90 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 26 V 7.61 3.76 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 0.98 0.00 0.00 0.93 0.00 0.00 27 D 8.43 4.28 0.00 2.74 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 28 L 8.36 3.99 0.00 1.82 1.80 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.75 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.12 0.00 2.22 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 0.00 2.44 2.29 0.00 31 R 7.92 3.83 0.00 1.95 2.16 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 32 L 7.76 3.93 0.00 2.03 1.73 0.90 0.73 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 33 T 7.58 4.20 4.39 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 1.29 0.00 0.00 34 T 7.93 4.42 4.40 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 1.24 0.00 0.00 35 L 6.97 4.49 0.00 1.66 1.57 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.42 4.01 0.00 1.80 1.72 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 37 A 8.83 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.90 4.28 0.00 2.68 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 39 V 8.00 3.71 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 1.04 0.00 0.00 0.92 0.00 0.00 40 L 8.03 3.92 0.00 1.89 1.72 0.92 1.08 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 41 A 8.24 4.08 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 42 K 7.92 4.23 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.73 1.54 7.81 43 L 7.43 4.29 0.00 1.85 1.58 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.58 0.00 2.16 2.08 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 45 L 7.43 4.70 0.00 1.64 1.61 0.91 0.94 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 46 T 8.66 3.97 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 1.19 0.00 0.00 47 D 8.82 4.38 0.00 2.75 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 48 A 7.98 4.02 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 49 L 7.48 3.78 0.00 1.76 1.77 0.80 0.93 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 50 R 7.97 3.92 0.00 2.05 2.00 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 51 K 8.39 3.88 0.00 1.91 2.01 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 52 A 8.10 4.25 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 53 L 8.50 4.15 0.00 2.06 1.74 0.90 0.69 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 54 A 7.79 4.18 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 55 E 8.48 4.05 0.00 2.11 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 2.26 2.29 0.00 56 A 7.59 4.07 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 57 P 0.00 4.37 0.00 2.22 2.20 0.00 3.85 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 1.98 2.06 0.00 58 K 7.89 4.29 0.00 1.69 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 59 H 7.62 4.63 0.00 3.15 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.44 4.14 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 61 A 7.73 4.20 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 62 N 8.64 4.29 0.00 2.75 2.89 0.00 0.00 6.93 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 63 I 7.73 3.79 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 1.57 0.42 0.91 0.00 0.00 64 A 7.88 3.92 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 65 R 8.31 3.85 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 66 K 8.07 3.92 0.00 2.01 1.87 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 67 R 8.06 3.87 0.00 2.08 1.86 0.00 3.26 0.00 0.00 3.14 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 68 H 8.56 4.23 0.00 3.28 3.50 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.30 3.95 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 1.54 0.75 0.99 0.00 0.00 70 L 8.17 3.94 0.00 1.91 1.79 1.00 0.77 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 71 F 8.78 4.19 0.00 3.07 3.33 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 72 I 7.98 3.32 1.93 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 1.26 0.47 0.81 0.00 0.00 73 G 8.19 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 74 K 8.52 4.04 0.00 1.64 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.72 1.67 7.81 75 L 7.37 4.04 0.00 1.36 1.46 0.80 0.54 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 *77 R 7.73 4.27 0.00 1.99 1.99 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 78 D 8.09 4.64 0.00 2.77 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 79 Q 7.54 4.41 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.30 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 80 D 8.17 4.58 0.00 2.77 2.56 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 0.00 81 Q 8.29 3.98 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 82 E 8.17 3.88 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 83 A 8.08 3.97 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 84 I 7.83 3.62 2.00 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 1.50 0.71 0.89 0.00 0.00 85 L 8.36 3.95 0.00 1.83 1.72 0.91 0.85 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 86 V 7.98 3.56 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 1.03 0.00 0.00 0.96 0.00 0.00 87 L 7.80 3.99 0.00 1.85 1.69 0.94 0.53 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 88 L 8.17 4.01 0.00 1.81 1.71 0.91 0.93 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 89 D 8.39 4.31 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.21 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 91 L 7.97 3.96 0.00 1.76 1.81 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.61 4.41 0.00 2.70 2.70 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 93 A 8.18 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.35 4.56 0.00 4.14 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.97 4.09 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 1.28 0.00 0.00 96 R 8.42 3.96 0.00 2.03 2.06 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 97 Q 8.49 4.03 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 98 Y 8.17 4.06 0.00 3.25 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 99 N 8.63 4.41 0.00 3.04 2.93 0.00 0.00 7.10 7.56 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 0.00 100 E 8.52 4.05 0.00 2.05 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 2.40 2.72 0.00 101 R 7.86 4.03 0.00 1.88 2.05 0.00 3.15 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 102 F 8.38 4.01 0.00 2.92 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 0.00 103 H 8.69 4.74 0.00 3.31 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.50 4.33 0.00 2.91 3.15 0.00 0.00 7.13 6.23 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 0.00 105 L 8.18 4.30 0.00 2.10 1.79 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.57 3.94 0.00 1.94 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 2.60 2.38 0.00 107 R 8.28 3.89 0.00 1.93 1.87 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 108 W 8.54 4.67 0.00 3.40 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 0.00 109 R 8.35 3.89 0.00 2.03 2.30 0.00 3.07 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 110 D 8.33 4.34 0.00 2.72 2.70 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 0.00 111 R 8.06 3.92 0.00 1.81 2.28 0.00 2.94 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 112 L 8.62 4.24 0.00 1.69 1.69 0.43 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.57 3.69 1.88 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 1.46 0.62 0.92 0.00 0.00 114 A 8.12 4.30 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 0.00 115 G 8.10 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 0.00 0.00 0.00 0.00 116 D 9.05 4.54 0.00 2.86 2.80 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 0.00 117 D 8.93 4.39 0.00 2.75 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 0.00 118 A 8.50 4.08 1.44 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 0.00 0.00 119 D 8.13 4.55 0.00 3.05 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 0.00 120 L 7.83 3.97 0.00 1.77 1.86 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.26 4.01 0.00 2.24 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 2.60 2.53 0.00 122 K 8.09 4.07 0.00 2.38 2.29 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.75 1.78 7.81 123 F 8.26 2.72 0.00 2.19 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 0.00 124 V 7.91 3.71 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 1.00 0.00 0.00 1.09 0.00 0.00 125 I 7.37 3.70 1.84 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 1.53 0.53 0.96 0.00 0.00 126 E 7.53 3.94 0.00 1.59 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 2.57 2.71 0.00 127 Y 7.23 4.44 0.00 2.31 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.89 0.00 2.13 2.11 0.00 3.22 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 129 D 7.87 4.58 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.09 4.02 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 0.00 131 D 9.27 4.56 0.00 2.83 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 0.00 132 R 8.55 4.03 0.00 1.95 1.92 0.00 3.24 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 133 Q 8.07 4.00 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 134 Q 8.05 3.84 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 135 L 7.86 3.84 0.00 2.06 1.65 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.04 3.86 0.00 2.19 1.96 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 137 S 7.92 4.05 0.00 3.91 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 0.00 138 L 7.92 3.91 0.00 1.86 1.66 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.11 3.62 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.96 0.00 0.00 140 R 7.99 3.87 0.00 1.99 2.12 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 141 Q 7.92 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 142 A 8.08 4.04 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 0.00 143 Q 8.56 3.92 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 144 H 8.38 4.07 0.00 3.24 3.54 0.00 5.59 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 0.00 145 E 8.26 3.92 0.00 2.21 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 2.37 2.58 0.00 146 V 8.17 3.52 2.26 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 1.00 0.00 0.00 0.97 0.00 0.00 147 A 7.91 4.05 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 0.00 148 R 7.91 4.22 0.00 1.68 1.88 0.00 3.44 0.00 0.00 3.11 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 149 N 7.40 4.07 0.00 2.81 2.81 0.00 0.00 7.07 6.37 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 0.00 150 K 8.22 4.44 0.00 1.84 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.38 7.81 151 P 0.00 4.10 0.00 2.06 2.05 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 152 P 0.00 4.75 0.00 2.21 2.22 0.00 3.70 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 2.07 1.95 0.00 153 A 7.78 4.11 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 0.00 154 T 8.45 3.98 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 1.28 0.00 0.00 155 S 7.72 4.10 0.00 4.13 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 0.00 156 R 8.17 3.98 0.00 2.15 2.12 0.00 3.16 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 157 K 7.87 4.01 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.67 7.81 158 I 8.09 3.70 2.05 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 1.38 0.68 0.86 0.00 0.00 159 F 8.44 4.16 0.00 3.07 3.26 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 0.00 160 K 8.30 3.70 0.00 2.07 1.95 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 161 Y 8.13 4.09 0.00 3.01 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 0.00 162 I 8.03 3.30 1.61 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 1.62 0.30 0.49 0.00 0.00 163 R 7.49 3.54 0.00 1.77 1.75 0.00 2.57 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 164 E 7.83 3.83 0.00 2.06 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 2.30 2.30 0.00 165 L 7.16 3.83 0.00 1.20 1.54 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 166 D 7.97 4.62 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 0.00 167 E 7.64 3.69 0.00 2.18 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 2.25 2.38 0.00 168 L 8.11 4.10 0.00 1.56 1.44 0.57 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.75 4.22 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.