NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 3.9925 8.2644 123.4773 51.4856 20.1552 176.5896 3 K 4.1465 7.6695 120.7357 56.5131 33.4477 174.4739 4 F 5.2267 8.4931 119.4579 56.4074 40.7537 172.8731 5 V 4.6383 8.8517 112.6058 59.8280 36.0139 174.4372 6 I 5.1703 8.4651 123.6991 59.9693 39.0271 175.1433 7 R 4.7928 8.8474 121.5925 54.2691 33.1504 172.7016 8 P 4.9952 0.0000 0.0000 62.6585 32.1141 176.1954 9 A 4.7513 8.9823 124.8306 51.8875 19.6625 176.9731 10 T 4.6892 10.4670 109.7670 58.9313 72.0776 174.9274 11 A 2.5800 7.9393 122.7345 55.1887 17.7306 179.7148 12 A 3.9572 7.1680 116.7108 54.6023 18.7103 178.5146 13 D 4.5682 8.3829 116.7181 54.9175 41.1325 178.0111 14 C 4.1897 7.7925 119.2026 62.8756 28.1194 176.0615 15 S 4.2989 7.8406 116.6861 61.0785 62.5682 176.2268 16 D 4.2203 7.8879 121.9967 56.8914 40.5800 178.6409 17 I 3.3433 7.7305 120.4127 64.1730 37.0394 178.2002 18 L 3.8438 7.8376 121.1544 57.9418 41.8535 178.9599 19 R 3.7627 7.8093 118.6651 59.5085 29.9637 178.6197 20 L 4.1995 8.0979 119.0297 57.4035 41.4595 179.5937 21 I 3.6413 7.6681 120.4348 64.2580 36.4422 178.5577 22 K 3.8589 8.0730 119.4377 59.4677 31.6727 178.9820 23 E 4.2525 8.3248 118.6634 59.1429 29.6038 178.4109 24 L 2.8712 7.6756 120.5068 57.4225 42.1044 178.7792 25 A 3.9776 8.2427 121.3116 54.7561 18.2232 179.7028 26 K 4.3616 8.9414 115.8232 57.8123 33.8762 176.8537 27 Y 4.3488 7.3912 119.3671 58.1496 40.2454 175.3365 28 E 4.4361 7.9265 115.9392 55.6510 31.7096 174.8852 29 Y 3.3846 6.8773 115.9890 58.6122 34.4717 169.1561 *31 E 4.3144 8.0609 122.8487 55.8580 31.6888 177.4310 32 E 4.0676 8.1058 117.5344 58.5068 29.9668 177.4776 33 Q 3.9984 7.9745 116.4522 58.0464 28.9178 176.3914 34 V 3.8075 7.1864 117.1857 62.4986 30.3083 175.3547 35 I 3.9894 8.0751 128.7275 62.8236 37.6952 177.0229 36 L 3.9426 7.8496 121.9143 55.5019 42.4134 176.3859 37 T 4.6568 8.3387 115.1051 59.5516 72.3193 175.2407 38 E 3.9647 8.4909 119.8936 59.2762 29.4022 179.4464 39 K 3.9884 8.0038 119.2727 59.5474 32.2938 178.2991 40 D 4.3251 7.9612 118.5303 57.5424 40.9502 178.5170 41 L 4.1973 8.0881 119.3341 58.1164 41.5336 179.6638 42 L 4.2832 8.5517 120.3967 58.3890 41.9002 178.8545 43 E 4.1188 8.6753 117.6947 59.0877 29.7815 178.3772 44 D 4.9141 9.1585 118.7560 55.6375 40.9274 177.8609 45 G 3.2338 7.9969 103.3741 43.7678 0.0000 173.7603 46 F 4.7465 7.6448 118.0997 57.0006 40.5589 176.0753 47 G 4.1271 7.7687 112.4581 45.1371 0.0000 173.9957 48 E 3.9818 9.0382 118.7315 59.1964 29.6112 176.8095 49 H 4.5049 7.7513 117.0105 52.6877 30.1433 171.2642 50 P 4.2149 0.0000 0.0000 62.5294 31.7130 176.8126 51 F 4.3330 8.9017 120.0258 58.3363 39.4211 174.6379 52 Y 5.0382 6.6319 117.0982 56.4030 40.7169 173.3990 53 H 4.7054 9.1823 116.3703 54.1218 32.8220 172.9606 54 C 5.1680 8.4315 119.8969 58.0275 35.3808 172.2847 55 L 5.3012 9.0648 125.6845 53.3813 43.8606 175.9826 56 V 5.1598 9.3599 115.5815 59.5543 36.1550 174.1512 57 A 5.3090 8.8248 123.9391 50.3089 21.3760 175.1528 58 E 5.0810 9.3947 124.1681 54.5521 32.3508 175.3721 59 V 5.2179 8.9632 120.2469 58.0247 34.4632 173.9700 60 P 4.6240 0.0000 0.0000 62.1624 32.5811 177.4089 61 K 2.4800 8.7223 118.1892 59.2079 31.7412 179.3199 62 E 3.8505 7.8910 114.0398 58.7691 29.5294 177.0715 63 H 4.8494 7.9838 115.2253 55.0581 29.1052 174.9687 64 W 4.8620 7.8300 119.9969 57.1004 29.1326 176.2545 65 T 4.4243 8.5187 111.1709 60.7484 68.8778 173.8260 66 P 4.6356 0.0000 0.0000 65.9156 31.0867 177.1089 67 E 4.0934 8.1823 116.2868 56.9550 29.6826 176.9010 68 G 3.9458 9.4555 107.5398 46.4261 0.0000 172.8327 69 H 4.5312 8.1188 116.5987 53.3922 31.0487 175.8156 70 S 4.1946 7.7549 117.7645 60.5155 64.6357 173.8677 71 I 4.5583 7.5265 121.5771 60.7399 37.3288 176.2645 72 V 4.1877 8.1769 119.3651 60.6160 32.8320 175.3698 73 G 4.2837 7.7761 106.8214 46.0883 0.0000 172.2057 74 F 5.5986 9.0062 114.3715 56.3924 41.9584 172.6105 75 A 5.5083 9.0633 120.1373 49.6151 23.0506 174.2221 *77 Y 4.6615 8.2630 114.3238 57.7948 40.1322 173.1203 78 Y 4.7808 7.8122 116.3643 56.5904 41.8760 172.9566 79 F 5.5789 8.9551 118.1523 56.3817 41.4430 175.5556 80 T 4.9955 8.9165 111.8805 60.9563 72.3669 171.4655 81 Y 5.1995 8.1859 119.7845 56.7897 42.5933 173.5230 82 D 4.2146 7.8231 125.2622 51.4379 43.5197 174.0560 83 P 3.9919 0.0000 0.0000 64.0943 30.9991 176.8545 84 W 4.9483 7.5498 114.0923 56.0595 28.4353 176.1873 85 I 4.4428 8.6019 118.7740 64.8972 39.8822 175.1944 86 G 3.7376 7.4378 105.8180 44.0639 0.0000 171.7536 87 K 4.8578 8.7569 122.0411 56.4998 33.5623 177.3078 88 L 5.3151 9.0713 125.8911 52.9052 46.0657 174.8865 89 L 4.8370 8.5192 123.7292 53.7835 43.6358 174.8874 90 Y 4.4426 8.9983 128.2347 55.6488 40.8429 174.2009 91 L 4.1717 8.1575 130.7127 54.2653 41.8338 175.9589 92 E 4.4070 8.8328 128.0846 58.5052 30.4468 176.3595 93 D 4.7855 7.6433 116.5876 52.7181 44.9719 174.0616 94 F 5.1242 8.3849 124.5869 57.1688 42.0780 173.2204 95 F 4.6069 8.9383 128.3694 55.7392 43.1058 171.8040 96 V 4.1187 6.8303 125.1555 62.9805 33.1626 176.4165 *98 S 4.3985 8.9525 110.7960 58.2913 64.2265 174.7325 99 D 4.6722 8.1308 116.6503 54.8661 40.3096 175.9021 100 Y 4.9658 7.6350 114.2184 57.4639 39.7339 175.6469 101 R 3.9793 7.6492 119.1668 56.7274 30.9209 176.8380 102 G 3.5872 8.6848 108.5379 45.6177 0.0000 173.7573 103 F 4.9373 7.9628 114.9840 56.9873 39.8648 176.2818 104 G 4.1397 8.2472 109.6929 45.4970 0.0000 175.8298 105 I 3.0717 7.5984 121.0608 64.1537 37.0552 178.2822 106 G 3.7052 7.8596 105.9412 47.9615 0.0000 175.6945 107 S 4.2426 8.0716 117.1186 61.4040 62.8394 176.2883 108 E 4.0552 8.5667 122.1377 59.1777 29.3907 178.8652 109 I 3.7086 7.9628 119.9660 64.4669 37.2235 178.3941 110 L 3.8325 8.0777 119.7756 57.3857 41.3950 179.5950 111 K 3.8951 8.0588 119.6062 59.7166 32.1570 178.7561 112 N 4.6796 8.2630 118.2575 55.7826 38.3822 177.4602 113 L 3.6996 8.2530 120.8851 57.7481 41.3689 179.7610 114 S 4.0826 7.7174 114.4172 61.5351 62.8081 176.4400 115 Q 4.1160 8.0739 120.8768 58.8827 28.3868 178.8127 116 V 3.6706 8.1266 119.4478 65.7635 31.4062 178.4144 117 A 4.1932 7.9196 117.2010 53.0241 17.7412 179.2302 *119 R 4.1554 7.9099 120.8685 58.0934 31.8660 177.4337 120 C 4.0421 8.3280 112.0855 59.8235 28.2904 173.5661 121 R 3.8533 7.2198 117.5546 57.3095 27.5551 176.2946 122 C 4.6541 8.1709 114.7048 59.6399 29.0775 174.8325 123 S 4.5176 8.7572 119.6333 60.6235 64.0152 174.8273 124 S 4.1929 7.4106 117.1179 58.1875 68.3996 173.3289 *126 H 4.7321 8.7684 114.3839 55.7698 30.2639 172.1963 127 F 4.3503 7.1415 113.8843 56.2243 40.3078 172.9383 128 L 4.5989 8.4154 119.3763 53.1315 43.3189 176.5312 129 V 4.4169 7.8544 120.4938 60.6328 34.8446 174.9076 130 A 3.7443 8.1899 129.5598 51.3949 18.7216 178.3204 131 E 3.9275 8.4032 120.9671 58.6814 29.5834 178.2092 132 W 4.5285 7.1348 114.4859 57.7267 29.4350 177.2725 133 N 4.7667 7.1167 119.7421 52.6761 35.0053 174.3970 134 E 4.0081 8.2293 124.9997 58.4302 30.3890 176.0204 135 P 4.2739 0.0000 0.0000 65.5020 31.4650 178.5187 136 S 4.0774 8.0255 111.5840 61.1912 62.3792 175.8975 137 I 3.8905 7.9993 122.6216 64.8120 36.8459 178.2369 138 N 4.4131 8.5155 117.2569 55.9835 38.1808 177.2251 139 F 4.0339 8.1686 121.8536 61.7430 39.4715 176.9301 140 Y 4.1883 8.2459 116.2217 60.9691 37.6687 178.3914 141 K 4.3058 8.5851 119.7186 59.4184 31.9088 179.5533 142 R 3.9788 8.2037 117.8029 58.3558 29.9123 178.1103 143 R 4.4214 7.1081 115.8387 55.6441 30.3372 177.0988 144 G 3.9144 8.1150 107.1162 45.0477 0.0000 174.1946 145 A 4.3345 7.7966 122.3713 51.8347 19.0688 177.4703 146 S 4.6338 8.0010 113.3432 55.7119 66.2272 174.8389 147 D 4.4709 8.3858 121.6632 53.4089 40.3696 176.4944 148 L 4.0010 8.1112 128.4881 57.8691 42.3625 178.3279 149 S 4.4168 8.1603 114.6880 61.9457 62.6195 176.6306 150 S 4.3084 8.3225 116.1501 61.1127 62.8869 176.2642 151 E 4.1578 8.3299 120.7476 58.4420 29.3808 178.0632 152 E 4.4550 8.2489 115.4497 54.7883 31.4554 175.3181 153 G 3.5306 8.0970 105.7995 46.3360 0.0000 173.9020 154 W 4.9280 8.2821 116.6760 54.7050 32.0730 176.2487 155 R 4.8237 8.8032 121.3925 54.2279 32.2709 175.0166 156 L 4.6086 8.5704 123.6990 54.1469 43.1117 175.6429 157 F 4.9867 8.7972 123.4519 55.6123 42.5894 174.1645 158 K 4.7043 8.2891 119.5247 55.5440 35.2728 175.9775 159 I 4.4990 8.1235 120.3068 59.5337 39.3544 175.4622 160 D 4.6627 8.7363 125.4218 53.3730 41.8399 177.3884 161 K 3.8001 8.8738 121.7546 60.1325 31.5367 178.3280 162 E 3.7824 8.0371 116.9244 59.7135 28.9998 178.6283 163 Y 4.2187 7.3755 116.6228 60.6265 38.1454 177.5206 164 L 4.1763 7.9696 118.6712 57.5298 41.9986 178.9038 165 L 4.1480 8.1471 120.4682 58.0378 41.5805 179.7140 166 K 3.6245 7.5140 114.1200 57.5381 31.7525 178.4111 *168 A 3.9972 7.9540 123.9285 51.9196 20.1788 178.3491 169 T 4.4751 7.6964 104.0185 61.2707 68.9818 174.4535 170 E 3.8341 7.4398 121.9669 58.2571 29.7149 177.0760 171 E 4.1134 8.8582 122.4064 56.8895 29.3516 174.2694 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 3.99 0.37 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 3 K 7.67 4.15 0.00 1.89 1.68 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 4 F 8.49 5.23 0.00 3.04 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 5 V 8.85 4.64 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 0.72 0.00 0.00 1.06 0.00 0.00 6 I 8.47 5.17 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.01 1.06 0.00 0.00 7 R 8.85 4.79 0.00 1.92 2.05 0.00 2.84 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 8 P 0.00 5.00 0.00 2.06 2.14 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 9 A 8.98 4.75 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 10 T 10.47 4.69 4.18 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 1.26 0.00 0.00 11 A 7.94 2.58 0.98 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 12 A 7.17 3.96 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 13 D 8.38 4.57 0.00 2.76 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 14 C 7.79 4.19 0.00 2.94 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 15 S 7.84 4.30 0.00 3.96 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 0.00 16 D 7.89 4.22 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.34 1.80 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.61 0.00 0.00 18 L 7.84 3.84 0.00 1.69 1.58 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.81 3.76 0.00 1.89 1.99 0.00 2.97 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 20 L 8.10 4.20 0.00 1.22 1.67 0.97 0.79 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 21 I 7.67 3.64 1.87 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 1.52 0.55 0.86 0.00 0.00 22 K 8.07 3.86 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 23 E 8.32 4.25 0.00 1.97 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 2.59 2.49 0.00 24 L 7.68 2.87 0.00 1.16 1.61 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.24 3.98 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 26 K 8.94 4.36 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 27 Y 7.39 4.35 0.00 2.89 2.97 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 28 E 7.93 4.44 0.00 1.98 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 2.42 2.52 0.00 29 Y 6.88 3.38 0.00 3.11 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 *31 E 8.06 4.31 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 32 E 8.11 4.07 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 2.29 2.39 0.00 33 Q 7.97 4.00 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 34 V 7.19 3.81 2.16 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 0.72 0.00 0.00 0.94 0.00 0.00 35 I 8.08 3.99 1.86 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 1.29 0.53 0.89 0.00 0.00 36 L 7.85 3.94 0.00 1.54 1.54 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.34 4.66 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 1.29 0.00 0.00 38 E 8.49 3.96 0.00 2.02 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 2.37 2.34 0.00 39 K 8.00 3.99 0.00 1.82 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.55 7.81 40 D 7.96 4.33 0.00 2.95 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 41 L 8.09 4.20 0.00 1.92 1.95 0.90 0.22 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 42 L 8.55 4.28 0.00 1.82 1.90 0.98 0.84 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 43 E 8.68 4.12 0.00 2.06 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 2.39 2.39 0.00 44 D 9.16 4.91 0.00 2.99 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 45 G 8.00 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 0.00 0.00 0.00 46 F 7.64 4.75 0.00 2.97 3.04 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 0.00 47 G 7.77 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.04 3.98 0.00 2.03 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 2.34 2.42 0.00 49 H 7.75 4.50 0.00 2.73 2.83 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.21 0.00 1.79 1.73 0.00 3.54 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 1.74 1.76 0.00 51 F 8.90 4.33 0.00 3.13 3.09 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 0.00 0.00 0.00 52 Y 6.63 5.04 0.00 2.99 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 53 H 9.18 4.71 0.00 1.59 2.61 0.00 5.61 0.00 0.00 0.00 0.00 6.89 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 0.00 80 T 8.92 5.00 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 1.42 0.00 0.00 81 Y 8.19 5.20 0.00 3.08 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 82 D 7.82 4.21 0.00 2.37 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 0.00 0.00 0.00 83 P 0.00 3.99 0.00 2.11 2.11 0.00 2.68 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 1.02 1.50 0.00 84 W 7.55 4.95 0.00 3.30 3.35 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 85 I 8.60 4.44 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.91 0.00 0.00 86 G 7.44 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 87 K 8.76 4.86 0.00 1.95 1.77 0.00 1.81 0.00 0.00 2.22 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 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3.49 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 0.00 0.00 0.00 0.00 133 N 7.12 4.77 0.00 2.59 2.73 0.00 0.00 6.65 7.72 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 0.00 134 E 8.23 4.01 0.00 2.19 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 2.43 2.52 0.00 135 P 0.00 4.27 0.00 2.23 2.10 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 2.17 2.18 0.00 136 S 8.03 4.08 0.00 3.97 4.09 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 0.00 0.00 0.00 137 I 8.00 3.89 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 0.98 0.00 0.00 138 N 8.52 4.41 0.00 2.79 2.91 0.00 0.00 6.71 7.83 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 0.00 139 F 8.17 4.03 0.00 3.01 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 0.00 140 Y 8.25 4.19 0.00 3.35 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 0.00 141 K 8.59 4.31 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.69 7.81 142 R 8.20 3.98 0.00 1.84 1.89 0.00 3.09 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 143 R 7.11 4.42 0.00 1.98 1.90 0.00 2.37 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 144 G 8.11 3.91 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 0.00 0.00 0.00 145 A 7.80 4.33 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 0.00 146 S 8.00 4.63 0.00 4.08 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.39 4.47 0.00 2.73 2.62 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 0.00 148 L 8.11 4.00 0.00 1.65 1.65 0.78 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.16 4.42 0.00 4.13 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 0.00 150 S 8.32 4.31 0.00 3.88 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 0.00 151 E 8.33 4.16 0.00 1.97 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 2.35 2.60 0.00 152 E 8.25 4.46 0.00 2.33 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 2.28 2.36 0.00 153 G 8.10 3.53 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 0.00 0.00 0.00 154 W 8.28 4.93 0.00 3.28 3.07 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 0.00 155 R 8.80 4.82 0.00 2.15 2.10 0.00 3.30 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 156 L 8.57 4.61 0.00 1.68 1.65 1.00 0.73 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 0.00 157 F 8.80 4.99 0.00 2.93 2.97 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 0.00 158 K 8.29 4.70 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.50 7.81 159 I 8.12 4.50 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 1.04 0.00 0.00 160 D 8.74 4.66 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 0.00 161 K 8.87 3.80 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 162 E 8.04 3.78 0.00 1.97 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 1.59 1.47 0.00 163 Y 7.38 4.22 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.97 4.18 0.00 1.75 1.75 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.15 4.15 0.00 1.81 1.80 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.51 3.62 0.00 1.89 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.62 7.81 *168 A 7.95 4.00 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 0.00 169 T 7.70 4.48 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 1.25 0.00 0.00 170 E 7.44 3.83 0.00 1.90 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 2.53 2.46 0.00 171 E 8.86 4.11 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.