NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 I 4.2371 8.0131 120.4738 60.4045 36.4743 174.7259 16 G 3.8949 9.0522 117.3620 45.2577 0.0000 167.8722 17 Q 5.2177 9.4026 119.0166 53.6831 32.5864 173.9239 18 V 4.1842 8.8171 124.6660 62.8721 31.8817 175.6739 19 I 4.2143 8.4865 129.8044 60.9256 38.2328 175.5936 20 H 4.2012 8.7323 125.3601 54.9455 30.8824 174.2145 21 P 2.0000 0.0000 0.0000 65.7811 31.2047 178.7850 22 D 4.3591 7.7504 114.8608 55.4351 39.8330 178.4074 23 D 4.9635 8.2915 116.2265 54.5821 41.6642 178.2382 24 F 4.6058 8.0150 121.5441 60.7319 38.9421 177.4004 25 D 4.8289 8.0613 117.6306 55.0593 39.3264 176.9979 26 K 4.1909 7.6372 117.7292 56.9350 32.3295 176.8283 27 A 4.4318 7.7366 122.6691 50.9231 19.7089 178.3932 28 A 4.0739 8.7712 122.9804 55.2619 19.0174 180.2906 29 A 4.2372 8.4497 118.7457 55.0414 18.7218 179.2372 30 D 4.3986 7.9026 114.7476 57.3443 41.4854 178.1391 31 D 4.1256 7.5873 118.4266 56.8566 40.7120 176.6913 32 Y 4.4974 7.2434 113.8535 57.5152 38.2468 175.7183 33 V 3.9836 7.1750 120.3049 62.3838 32.7018 176.8947 34 L 4.3821 9.2033 128.3569 53.6314 40.1878 177.2416 35 H 4.2581 7.9447 119.3934 58.6141 29.5092 177.9481 36 E 3.9876 8.3388 118.0317 59.1607 29.3305 177.2859 37 D 4.7370 7.9614 116.1672 54.0738 41.1131 176.9762 38 G 3.9233 8.2006 105.6868 45.9435 0.0000 174.1034 39 E 4.3350 8.0739 120.9147 55.9778 30.2458 176.1833 40 K 4.6270 9.7001 127.6001 54.5651 35.7742 174.9075 41 I 4.0599 8.3383 128.0487 61.4531 37.2007 175.2142 42 Y 4.5929 8.5180 123.8742 58.2457 40.1386 175.9556 43 F 4.4894 7.5021 118.9855 57.1359 43.1874 172.2519 44 L 5.3606 8.3171 127.4540 53.4551 45.4650 174.6105 45 I 5.0080 9.2403 127.4016 59.6903 39.8442 174.2880 46 K 4.8714 9.1699 129.7145 54.8271 32.9811 175.1922 47 S 5.0700 9.4364 121.8145 55.9242 65.5498 174.4814 48 K 4.2057 8.9927 123.9443 58.9430 31.9389 177.3183 49 T 4.4762 8.0411 107.1726 61.6213 70.3224 173.3889 50 D 5.1893 7.5936 120.7030 52.2241 45.6090 174.6995 51 E 4.9257 8.4329 120.2430 54.9261 33.1638 173.6450 52 Y 4.8813 9.4228 125.4994 56.6005 40.7361 174.5197 53 C 5.0341 9.2056 126.9607 57.7142 33.7466 172.7021 54 F 5.1984 9.7441 127.5529 56.6858 39.9544 175.7354 55 T 5.6539 8.9300 115.4666 58.8252 71.3350 174.2088 56 N 5.0068 9.2808 117.0557 54.7701 37.9593 175.9812 57 L 5.1463 7.8441 117.4452 55.4148 45.3187 175.5424 58 A 3.6799 8.0612 118.8825 50.8338 23.6765 174.7207 59 L 4.6137 8.2115 121.4923 53.7580 43.8018 175.2854 60 V 4.5682 8.7376 127.7024 61.5623 33.5317 173.8064 61 H 5.3272 9.0599 128.0655 54.4491 32.8980 172.2379 62 L 4.7263 8.5847 126.8994 53.5598 42.8166 174.9175 63 D 5.1816 8.3543 125.3703 51.8353 42.8371 175.4911 64 G 4.6311 8.5828 114.5700 43.9956 0.0000 173.2031 *71 K 4.2083 8.4135 121.8162 54.0635 33.2592 176.2796 72 R 4.6946 8.2924 121.1697 53.6196 32.5151 175.4575 73 V 3.7101 8.4731 123.7080 61.8777 32.7828 174.5000 74 L 4.5136 8.0342 130.8397 54.2512 42.4592 175.0316 75 Y 4.4709 8.9153 124.9915 56.4458 40.6017 175.1436 76 R 4.6167 7.7565 121.4213 55.0583 33.2140 174.2241 77 Y 4.4730 8.5577 124.6439 55.0625 39.6139 173.0291 78 P 4.6689 0.0000 0.0000 62.2579 32.3564 177.3864 79 Y 4.5872 8.5660 122.0994 60.8521 37.6161 178.9660 80 A 4.0310 8.3382 119.7788 55.0002 18.4299 178.1776 81 H 4.9675 7.6178 111.2726 55.1651 30.2502 174.6895 82 Y 4.6589 7.9003 118.3484 55.2887 39.5983 172.4895 83 P 4.6444 0.0000 0.0000 62.4005 32.9210 175.3276 84 I 4.7887 8.9899 124.4005 60.7499 38.6810 175.2760 85 R 4.4754 9.0984 124.7199 54.8167 35.1142 174.3011 86 H 4.0871 8.3174 115.3208 57.0636 26.1845 175.2759 87 V 4.5147 7.2480 116.4814 62.2380 32.5894 174.6044 *89 F 4.6764 8.1749 125.8989 58.0221 40.2448 173.8018 90 E 4.4139 7.3152 126.4773 54.5848 32.6836 175.3521 91 T 4.3564 8.3057 117.1474 61.0861 70.7135 173.2561 92 A 4.5765 8.3156 122.9018 50.4917 20.9803 177.5409 93 G 3.8775 8.2963 111.1940 44.9209 0.0000 175.6252 94 T 3.9526 8.4011 110.6771 63.6376 68.3954 172.3131 95 V 3.9222 7.6060 119.8058 64.4828 32.0614 175.8695 96 D 4.6600 7.4391 117.7184 54.0775 41.5678 176.1133 97 L 4.7110 8.3635 120.5557 54.9712 43.1110 175.5982 98 D 5.4353 7.9348 117.3429 51.6447 42.8795 175.1452 99 V 4.4086 8.8606 113.2249 59.5859 35.0698 174.2851 100 E 5.0035 8.4123 124.1908 54.4153 32.2906 174.2184 101 I 5.0360 8.5450 127.3182 59.4245 40.4969 174.3599 102 K 5.2965 8.3800 127.2628 54.9426 36.4074 174.6896 103 F 5.4586 8.0853 115.5765 57.3985 41.8761 172.1888 104 E 5.1777 9.3038 119.3092 54.5434 32.5868 175.0757 105 I 4.8093 8.4824 124.3068 59.1539 40.6124 174.7415 106 G 3.9278 8.9441 118.9346 47.3853 0.0000 175.2001 107 G 3.8836 8.6908 112.1541 45.0120 0.0000 173.0774 108 K 3.9781 7.7744 123.2295 56.2677 32.7041 175.2855 109 H 4.8114 8.4979 123.7413 55.7379 29.6910 174.1874 110 Y 4.2046 9.1357 120.9834 55.9188 41.0117 174.6860 111 S 4.8133 8.4459 117.8752 56.6674 65.4611 172.8926 112 I 4.3820 8.7120 128.7016 59.5041 39.9839 174.5628 113 D 5.1497 8.6665 127.6378 53.7092 42.3935 175.8119 114 V 4.9773 9.0834 122.7895 60.5196 35.7022 173.7534 115 D 4.7628 9.0412 126.4241 54.7084 41.6287 177.6478 116 K 3.9797 9.1233 126.1855 59.7803 32.7507 179.2348 117 K 3.9750 8.2942 118.7378 59.3137 32.2328 177.3952 118 Q 4.6664 8.3549 116.7575 55.8780 29.1186 177.2380 119 L 4.0710 7.9832 122.9702 58.7390 41.6624 178.3626 120 E 3.9618 8.2747 117.3227 59.6039 29.7235 178.2195 121 H 4.6123 8.3813 116.0420 58.8274 29.0611 177.8257 122 V 3.7207 8.0698 119.7959 65.8616 31.4360 177.9748 123 K 3.4640 8.4500 119.0602 59.7941 32.3450 178.9593 124 D 4.3647 7.9994 120.0354 56.7402 40.6531 178.4565 125 L 3.4937 7.4942 120.6750 57.8078 42.0370 177.8535 126 Y 3.9389 7.7153 119.5660 60.8685 38.7388 178.5288 127 K 3.2781 7.5422 118.2695 58.9596 31.9040 179.3213 128 A 3.6894 7.3471 120.8112 55.0800 18.2550 179.5782 129 L 3.3927 7.5791 117.8494 57.6900 41.7049 179.5916 130 L 3.5580 7.4041 119.8870 57.9082 41.8445 178.9928 131 A 3.9899 7.3952 120.2240 55.0091 18.3200 179.6476 132 I 2.7032 7.4385 118.2056 64.1251 37.0253 178.3820 133 A 3.9592 7.6239 122.9962 54.4929 18.1059 179.3751 134 E 3.8059 7.8813 117.2556 59.0798 29.6604 178.7925 135 K 4.0034 8.1622 119.8465 59.8187 32.3398 178.7207 136 Q 4.0593 8.1731 118.3230 58.9897 28.3576 178.1436 137 Y 3.9346 7.7707 119.5356 60.7716 39.3026 177.4909 138 E 4.0922 8.5944 120.3434 59.2655 29.5154 178.8526 139 G 3.7506 8.2671 105.0631 48.0969 0.0000 175.3115 140 Q 4.0624 7.9171 120.0481 58.3160 28.5935 179.1739 141 K 3.6156 7.1239 117.0934 56.5160 31.8103 178.9482 *143 L 4.1843 7.8938 121.1197 54.9782 43.8253 178.9155 144 E 3.8392 7.6513 117.5417 59.7176 29.2645 179.3918 145 F 4.4967 7.5388 117.1461 60.6597 39.0401 177.6258 146 A 4.2133 7.9122 119.7272 55.3737 18.3063 179.2524 147 N 4.3772 8.4144 114.8590 56.8049 38.6738 177.5987 148 S 4.0841 8.1301 116.4289 62.0299 62.9258 177.3331 149 S 4.1567 8.5471 117.7183 61.4584 62.7005 176.1822 150 L 3.5460 7.7160 122.5141 58.2612 41.7452 178.8134 151 N 4.2466 7.9776 115.8422 56.8067 38.4482 176.8866 152 H 4.1912 8.3053 117.8489 59.3841 28.7477 177.9712 153 S 4.0856 7.9735 116.5918 61.1796 62.6839 176.8873 154 V 3.6131 7.5773 121.2489 66.0754 31.0158 178.3151 155 T 3.8962 7.7959 114.7155 66.5207 68.3801 176.5344 156 I 3.8320 7.7279 120.6983 64.4773 37.3274 178.1408 157 L 4.3168 8.1523 117.8371 55.2611 42.1212 177.8286 158 G 3.7415 7.0937 107.3328 47.3069 0.0000 173.3473 159 G 3.7590 8.7540 108.1552 45.8404 0.0000 172.8571 160 L 4.4135 7.3763 118.5544 53.3818 44.1463 175.9953 161 R 4.6981 7.9870 117.9658 54.7264 33.3495 175.8841 162 Q 4.0046 8.8615 121.5547 58.9558 29.9682 177.2580 163 G 3.5754 7.7779 106.7116 46.5973 0.0000 174.8186 164 D 4.3311 8.4853 123.0848 52.0319 38.8219 176.0594 *166 N 4.4020 8.2218 123.2520 53.2325 39.7548 174.1160 167 V 3.5942 8.0871 127.5737 65.6239 31.8309 175.8338 168 P 4.3379 0.0000 0.0000 65.5622 31.2214 178.3123 169 Q 4.0147 8.5043 118.4615 59.6710 28.8869 178.6344 170 T 4.0936 8.0392 116.6901 66.3866 68.4827 176.6454 171 F 4.1790 8.4720 123.0512 60.9809 39.2859 177.0583 172 K 3.7284 8.0678 119.5243 59.4734 32.0498 178.3599 173 D 4.3492 8.5877 119.4639 57.4782 40.7932 179.0168 174 L 3.9193 8.1257 120.7563 58.2609 42.2577 179.1243 175 S 4.0355 7.7056 115.0498 61.5759 62.6590 176.5660 176 Q 4.0353 8.1958 122.4297 59.0255 28.7176 177.8964 177 E 4.0296 8.5002 120.0476 59.6476 29.5633 179.2712 178 S 4.1693 8.0998 113.0498 61.4056 62.3783 176.0456 179 F 4.1513 8.1934 123.1080 61.2350 39.0566 176.7827 180 D 4.3968 8.4571 118.6714 57.1533 40.7086 178.7712 181 W 4.0900 8.1492 128.3257 60.6148 30.9824 178.0513 182 L 4.0662 8.1002 119.0060 57.6832 40.9867 179.3999 183 Q 3.6498 7.9140 119.5552 58.8614 29.1382 177.8257 184 G 3.7420 8.4582 107.3047 48.4948 0.0000 175.1824 185 H 3.8895 7.8318 118.3703 58.4278 28.3944 177.1425 186 Y 3.9872 7.6410 120.9610 61.0352 38.3177 177.8394 187 Y 4.3204 7.6498 116.0132 60.1737 38.1498 177.5871 188 K 3.6956 7.5476 120.2589 58.5594 32.3345 178.1606 189 W 4.8577 7.6006 116.0829 56.5488 30.8383 176.5004 190 N 4.9003 7.2413 117.5971 51.7081 37.2284 174.7821 191 Q 4.0789 7.5828 116.5801 56.1535 30.1441 177.1868 192 K 4.2048 8.4683 119.1873 58.2382 32.9658 176.6366 193 D 5.1274 7.7170 118.1375 53.0222 41.7505 175.7254 194 F 4.9171 9.3980 127.4032 57.0815 39.9561 178.2780 195 G 3.6111 9.5122 111.2304 48.0085 0.0000 176.1119 196 S 4.2421 8.2351 116.2218 61.2862 62.2536 176.6527 197 F 3.8525 8.2852 121.1500 60.4871 38.6927 177.2992 198 Y 4.1808 7.7394 115.8661 61.0538 37.5285 177.6570 199 E 4.1134 8.0494 119.1724 59.4878 29.7086 178.5883 200 K 3.8801 8.0108 118.4652 59.2244 32.4218 177.5894 201 Y 4.5591 7.5590 114.9245 59.6030 38.5030 177.5172 202 I 4.0920 8.3894 119.1161 62.7926 37.2727 175.8320 203 N 4.5845 7.6872 122.2445 53.5814 38.3415 174.6818 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 15 I 8.01 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.91 0.00 0.00 16 G 9.05 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 0.00 0.00 0.00 17 Q 9.40 5.22 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 18 V 8.82 4.18 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 0.30 0.00 0.00 1.13 0.00 0.00 19 I 8.49 4.21 2.12 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 1.39 1.05 1.01 0.00 0.00 20 H 8.73 4.20 0.00 3.05 3.04 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 2.00 0.00 1.76 1.67 0.00 2.87 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 22 D 7.75 4.36 0.00 2.69 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 23 D 8.29 4.96 0.00 2.74 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 24 F 8.01 4.61 0.00 3.11 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 25 D 8.06 4.83 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.64 4.19 0.00 1.89 1.92 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 27 A 7.74 4.43 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 28 A 8.77 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.24 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 30 D 7.90 4.40 0.00 3.04 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 31 D 7.59 4.13 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.24 4.50 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.18 3.98 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 0.68 0.00 0.00 0.93 0.00 0.00 34 L 9.20 4.38 0.00 1.69 1.74 0.93 1.26 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 35 H 7.94 4.26 0.00 3.18 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.34 3.99 0.00 1.94 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 0.00 2.32 2.41 0.00 37 D 7.96 4.74 0.00 2.65 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 38 G 8.20 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 39 E 8.07 4.33 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 40 K 9.70 4.63 0.00 1.78 1.63 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.58 1.18 7.81 41 I 8.34 4.06 1.40 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.08 0.00 0.00 42 Y 8.52 4.59 0.00 2.52 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.50 4.49 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.32 5.36 0.00 1.40 1.49 1.03 1.03 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 45 I 9.24 5.01 2.34 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 1.17 0.00 0.00 46 K 9.17 4.87 0.00 1.91 1.75 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 S 9.44 5.07 0.00 4.03 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 48 K 8.99 4.21 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 49 T 8.04 4.48 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 50 D 7.59 5.19 0.00 2.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.43 4.93 0.00 1.98 1.68 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 2.23 2.32 0.00 52 Y 9.42 4.88 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.21 5.03 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.74 5.20 0.00 2.95 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 55 T 8.93 5.65 4.43 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 1.21 0.00 0.00 56 N 9.28 5.01 0.00 3.40 3.56 0.00 0.00 5.73 6.67 0.00 0.00 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 L 7.84 5.15 0.00 1.75 1.70 0.95 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 58 A 8.06 3.68 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0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 91 T 8.31 4.36 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 1.21 0.00 0.00 92 A 8.32 4.58 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 93 G 8.30 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 94 T 8.40 3.95 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 95 V 7.61 3.92 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 0.95 0.00 0.00 0.93 0.00 0.00 96 D 7.44 4.66 0.00 2.81 2.55 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 97 L 8.36 4.71 0.00 1.60 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.93 5.44 0.00 2.70 2.59 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 0.00 107 G 8.69 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 0.00 108 K 7.77 3.98 0.00 1.66 1.65 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.46 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.15 1.23 7.81 109 H 8.50 4.81 0.00 2.93 3.12 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.14 4.20 0.00 1.69 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 0.00 0.00 0.00 111 S 8.45 4.81 0.00 3.72 3.61 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 0.00 112 I 8.71 4.38 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.32 0.71 0.00 0.00 113 D 8.67 5.15 0.00 2.63 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 0.00 114 V 9.08 4.98 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 1.13 0.00 0.00 1.12 0.00 0.00 115 D 9.04 4.76 0.00 2.93 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 0.00 116 K 9.12 3.98 0.00 2.01 2.09 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.46 7.81 117 K 8.29 3.97 0.00 2.06 1.97 0.00 1.99 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.50 7.81 118 Q 8.35 4.67 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 119 L 7.98 4.07 0.00 2.05 1.76 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.27 3.96 0.00 1.97 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 2.26 2.44 0.00 121 H 8.38 4.61 0.00 3.63 3.62 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.07 3.72 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.15 0.00 0.00 123 K 8.45 3.46 0.00 1.68 2.04 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.41 7.81 124 D 8.00 4.36 0.00 3.05 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 0.00 125 L 7.49 3.49 0.00 0.32 1.30 -0.17 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.72 3.94 0.00 2.67 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 0.00 127 K 7.54 3.28 0.00 1.35 0.74 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.53 7.81 128 A 7.35 3.69 1.01 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 0.00 129 L 7.58 3.39 0.00 1.41 1.33 0.24 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.40 3.56 0.00 1.33 1.32 0.58 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.40 3.99 1.61 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 0.00 140 Q 7.92 4.06 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 141 K 7.12 3.62 0.00 1.50 1.16 0.00 1.35 0.00 0.00 1.17 0.00 0.00 2.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.07 1.33 7.81 *143 L 7.89 4.18 0.00 1.76 1.71 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.65 3.84 0.00 1.76 1.81 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 2.19 2.30 0.00 145 F 7.54 4.50 0.00 2.98 2.96 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 0.00 146 A 7.91 4.21 1.20 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 0.00 0.00 0.00 147 N 8.41 4.38 0.00 2.77 2.91 0.00 0.00 7.07 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 0.00 148 S 8.13 4.08 0.00 4.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.55 4.16 0.00 4.28 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 0.00 150 L 7.72 3.55 0.00 1.57 1.89 0.95 0.60 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 0.00 151 N 7.98 4.25 0.00 2.87 2.78 0.00 0.00 7.07 8.07 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 0.00 152 H 8.31 4.19 0.00 3.27 3.32 0.00 5.61 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 0.00 153 S 7.97 4.09 0.00 3.86 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 0.00 154 V 7.58 3.61 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 1.02 0.00 0.00 0.94 0.00 0.00 155 T 7.80 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 156 I 7.73 3.83 1.85 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 1.51 0.64 0.89 0.00 0.00 157 L 8.15 4.32 0.00 1.61 1.71 0.89 0.78 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 0.00 158 G 7.09 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.75 3.76 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 0.00 0.00 0.00 160 L 7.38 4.41 0.00 1.66 1.66 0.93 0.90 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 0.00 161 R 7.99 4.70 0.00 1.71 1.76 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 162 Q 8.86 4.00 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 163 G 7.78 3.58 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 0.00 164 D 8.49 4.33 0.00 2.80 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 *166 N 8.22 4.40 0.00 2.82 2.85 0.00 0.00 6.73 7.71 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 0.00 167 V 8.09 3.59 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 1.10 0.00 0.00 0.94 0.00 0.00 168 P 0.00 4.34 0.00 2.24 2.11 0.00 3.99 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 2.12 2.13 0.00 169 Q 8.50 4.01 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 170 T 8.04 4.09 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 171 F 8.47 4.18 0.00 3.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.07 3.73 0.00 1.93 1.99 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 173 D 8.59 4.35 0.00 2.73 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 0.00 174 L 8.13 3.92 0.00 1.86 1.65 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.71 4.04 0.00 3.82 3.72 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 0.00 176 Q 8.20 4.04 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 177 E 8.50 4.03 0.00 2.17 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 2.53 2.48 0.00 178 S 8.10 4.17 0.00 3.91 4.06 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 0.00 179 F 8.19 4.15 0.00 3.31 3.19 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 0.00 180 D 8.46 4.40 0.00 3.13 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 0.00 181 W 8.15 4.09 0.00 3.51 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 0.00 182 L 8.10 4.07 0.00 1.60 1.62 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 7.91 3.65 0.00 1.37 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 184 G 8.46 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 7.83 3.89 0.00 3.18 3.46 0.00 5.64 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 0.00 186 Y 7.64 3.99 0.00 3.02 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 0.00 187 Y 7.65 4.32 0.00 2.96 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 0.00 188 K 7.55 3.70 0.00 1.30 0.74 0.00 1.22 0.00 0.00 0.75 0.00 0.00 2.24 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.69 7.81 189 W 7.60 4.86 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 N 7.24 4.90 0.00 2.38 2.54 0.00 0.00 6.97 7.38 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 0.00 191 Q 7.58 4.08 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.94 0.00 0.00 0.00 0.00 0.00 1.85 1.33 0.00 192 K 8.47 4.20 0.00 1.72 1.91 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 193 D 7.72 5.13 0.00 2.63 2.51 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 0.00 194 F 9.40 4.92 0.00 2.88 2.58 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 0.00 195 G 9.51 3.61 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 0.00 0.00 0.00 196 S 8.24 4.24 0.00 3.89 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 0.00 197 F 8.29 3.85 0.00 3.05 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 0.00 198 Y 7.74 4.18 0.00 2.50 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.05 4.11 0.00 2.23 2.11 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 2.42 2.55 0.00 200 K 8.01 3.88 0.00 1.60 1.55 0.00 1.35 0.00 0.00 0.83 0.00 0.00 2.75 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.64 1.09 7.81 201 Y 7.56 4.56 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 8.39 4.09 2.33 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.79 1.15 0.00 0.00 203 N 7.69 4.58 0.00 2.87 2.77 0.00 0.00 6.78 7.44 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 * Residues marked with a * may have inaccurate shift predictions.