NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2549 8.3049 120.2917 55.2067 33.4006 174.4449 2 F 4.8666 8.6443 122.6040 53.6595 42.4149 173.4176 3 D 5.0363 9.1697 125.1439 51.2100 43.6372 176.6163 4 A 3.8916 8.5862 121.2398 55.5566 18.0593 180.0409 5 F 4.1636 7.9260 115.5923 61.0465 39.3410 178.0126 6 T 4.1657 8.7561 108.9789 63.9238 68.1980 176.4716 7 K 3.3913 8.1292 123.4353 59.5487 32.3155 178.9431 8 V 3.7392 7.3236 118.1598 65.5588 31.2749 178.2216 9 V 3.6020 7.6929 118.4305 66.0099 31.3181 178.0815 10 S 4.1474 8.1641 114.0351 61.7327 62.8034 176.5423 11 Q 3.9220 7.7640 120.9853 58.5981 28.3999 178.4798 12 A 4.1087 8.1106 121.8889 55.0604 18.4679 179.1658 13 D 4.3841 8.4830 116.8528 57.5201 41.0379 178.5959 14 T 3.9434 7.6030 115.7046 66.0619 68.5409 175.3629 15 R 4.2343 7.4844 116.9324 55.4877 30.5565 176.5292 16 G 3.9415 7.7964 105.7838 46.6994 0.0000 173.4168 17 E 4.7753 8.3530 117.6304 54.1949 32.7634 175.7927 18 M 4.4520 8.2263 119.9578 53.8814 33.3582 176.6082 19 L 4.1733 8.3938 122.0530 55.4407 42.5792 178.0241 20 S 4.5575 9.2540 117.6388 57.6903 65.5357 175.6011 21 T 3.8474 8.4245 118.5861 66.8057 68.1328 176.4153 22 A 3.9720 7.9569 121.8322 55.4736 18.3875 179.2964 23 Q 3.9857 7.9309 116.0597 59.4512 28.7850 179.6832 24 I 3.8007 7.9101 120.5366 64.4361 37.1414 178.2511 25 D 4.3521 8.4494 119.9572 57.2653 40.4793 178.5690 26 A 4.0213 8.5044 121.7351 55.2466 18.3457 179.7472 27 L 3.9388 7.7412 117.2936 58.0006 41.8196 179.8277 28 S 4.2224 8.2651 115.2365 61.4003 62.4454 176.5971 29 Q 3.9576 7.9165 122.0100 59.3793 29.1594 177.8708 30 M 4.1583 7.7609 118.1820 58.3725 31.0741 178.5983 31 V 3.6326 8.0082 119.0713 65.7033 31.4612 177.6466 32 A 4.1602 7.8086 118.8647 53.7713 18.4781 178.2198 33 E 4.4897 7.8846 116.0823 56.1156 30.1704 177.7347 34 S 4.1052 7.6739 116.3447 61.6445 62.7365 176.3217 35 N 4.3222 8.1333 119.3646 56.2173 38.3324 177.2035 36 K 3.9767 7.8119 119.9110 59.3786 32.1488 179.2690 37 R 3.9052 7.8787 118.4299 59.6473 30.0901 178.4948 38 L 4.1794 8.1354 118.4886 57.5615 41.5602 179.3112 39 D 4.3699 8.1509 119.1124 57.1861 40.7845 178.3733 40 A 4.0490 8.2045 121.4104 55.1585 18.3199 179.8127 41 V 3.5640 7.8194 116.5028 66.2310 31.7193 177.7086 42 N 4.3122 8.2671 116.6512 56.8555 38.5964 176.9863 43 R 3.9738 8.3096 118.4816 59.2822 30.4512 178.9501 44 I 3.9258 7.8535 119.5364 64.6460 37.1888 178.4502 45 T 3.8432 8.0416 116.6218 66.9879 68.1788 176.7980 46 S 4.3713 8.5287 115.0485 60.3592 62.9526 174.8265 47 N 4.9750 7.8149 118.6290 52.6453 39.5488 176.2574 48 A 4.0085 8.1333 123.0095 55.7236 18.3838 180.7561 49 S 4.1141 8.0485 112.9226 62.0114 62.9231 177.0671 50 T 3.8902 7.8121 117.8728 66.6525 68.2648 176.6548 51 I 3.6946 7.8562 121.7538 64.3283 37.0775 178.7600 52 V 3.5556 7.8882 119.1291 65.9863 31.3809 178.1887 53 S 4.1365 8.0947 114.0016 61.7260 62.8253 176.2198 54 N 4.2888 8.3277 120.1280 55.6769 38.1784 177.3648 55 A 3.8931 7.8434 121.7426 54.8912 18.3955 179.5705 56 A 3.3730 8.1987 119.6446 55.2449 18.5629 179.7728 57 R 3.9198 8.0845 117.4434 59.7048 30.0566 178.6797 58 S 4.0459 8.0598 112.9536 60.9486 62.3906 175.7266 59 L 3.7843 7.6792 123.1874 58.2996 41.5920 179.0205 60 F 4.5028 7.3804 116.0285 60.6709 38.9295 177.2442 61 A 4.1871 7.8744 119.3642 55.1365 18.2206 178.9824 62 E 4.1704 8.0568 117.1089 57.8482 31.2685 176.9514 63 Q 4.6325 8.4562 118.0087 52.5316 29.1975 173.7536 64 P 4.3572 0.0000 0.0000 65.5578 31.5798 179.4622 65 Q 4.1438 8.0534 116.1456 58.2355 28.9403 178.2056 66 L 4.0504 8.1771 119.3911 57.0445 41.7172 177.8701 67 I 4.0910 7.5371 109.2125 60.8579 38.9628 175.8475 68 A 4.0507 7.6916 124.8648 51.2163 18.7719 174.9803 69 P 2.9700 0.0000 0.0000 63.9076 31.6068 177.1017 70 G 4.0935 8.3450 111.2258 45.4533 0.0000 175.0604 71 G 4.3222 8.0230 111.2790 44.6616 0.0000 175.1162 *75 A 4.1415 8.6878 127.5129 51.3073 19.7263 176.2984 76 Y 4.3096 7.6467 118.4705 58.7664 39.9281 174.4570 77 T 3.0035 6.9492 114.7589 61.9073 69.3382 172.9185 78 S 3.9993 8.3550 119.6525 61.7520 62.8604 176.9625 79 R 3.8450 7.8107 120.7387 59.6880 29.9204 178.7232 80 R 3.9883 7.6147 116.8169 59.1447 30.0094 178.7532 81 M 3.9807 8.1726 118.0896 58.5165 32.1605 178.1484 82 A 4.0001 8.4165 121.1780 55.1483 18.5814 179.4650 83 A 3.9602 8.1516 119.3220 55.3542 18.4570 179.5088 84 C 4.1581 8.2583 117.2788 62.6732 31.7261 175.8155 85 L 4.0794 8.1694 120.6889 57.7789 41.1060 179.4668 86 R 3.9549 8.4110 119.0754 59.5168 29.9795 178.3702 87 D 4.4242 8.2762 118.7954 57.4267 40.7915 178.5559 88 M 4.0812 8.0463 119.1583 58.5438 32.0253 178.4439 89 E 3.9547 8.2579 119.2847 59.1884 29.7365 178.8565 90 I 3.6691 8.0405 120.0050 64.5593 37.2479 178.3922 91 I 3.7694 7.9485 120.5966 64.3264 36.9489 178.2774 92 L 3.8962 7.9785 121.1302 57.9819 42.0568 178.8193 93 R 3.5022 8.1720 119.0060 59.7827 30.0890 178.2283 94 Y 3.5938 7.7213 116.0508 60.4801 37.7275 178.7659 95 V 3.4375 7.5463 119.9636 66.0176 31.5058 178.1893 96 T 3.9264 7.7863 109.5454 64.8285 68.4039 176.0914 97 Y 4.3080 7.6123 119.1020 61.0082 37.8413 178.3277 98 A 4.0523 7.7874 122.6706 54.5808 18.1074 179.8752 99 V 3.7609 7.5516 115.6071 65.9942 31.6671 177.8335 100 F 4.2756 8.4465 119.5826 61.3998 39.6287 176.8387 101 A 4.2250 8.8339 120.3366 52.5231 18.0622 177.9305 102 G 4.0407 9.1009 105.3667 46.0285 0.0000 173.1313 103 D 4.6408 7.5870 115.8102 51.6680 44.2362 175.8134 104 A 3.8602 8.8314 127.4517 54.0375 18.4714 179.9187 105 S 4.1219 8.1106 113.6527 61.9664 62.8657 177.2577 106 V 3.5950 7.8970 122.8535 64.1150 30.8449 177.8725 107 L 3.8884 7.7907 120.2812 57.8327 41.9963 178.5274 108 E 3.9109 8.2889 118.5392 59.5915 29.2557 179.1386 109 D 4.2713 8.5319 117.6937 57.2538 41.0726 178.4736 110 R 4.2202 7.5874 115.6039 56.6461 30.7485 175.8281 111 C 4.2165 7.2710 115.0957 60.6835 33.9965 174.7620 112 L 3.9949 8.2266 119.5759 57.4078 41.4911 177.3626 113 N 4.4131 8.0444 117.9652 55.1197 39.1798 175.0467 114 G 4.4316 8.9258 113.9578 45.5389 0.0000 174.6221 115 L 3.6990 7.8215 121.6753 57.9030 41.9673 178.7643 116 R 3.9833 7.8574 118.3489 59.4549 30.1423 178.1897 117 E 4.0060 8.0826 117.9323 59.5745 29.4309 179.2365 118 T 3.8187 7.6419 115.3456 66.9014 68.5094 176.2978 119 Y 4.3956 7.5396 118.0473 60.9210 37.6616 178.0232 120 L 3.9599 7.9060 120.0293 58.2226 42.2155 178.6998 121 A 4.1523 7.8520 118.9102 55.4093 18.5024 179.3636 122 L 4.1666 7.9048 116.1964 56.1997 41.6797 178.7070 123 G 4.0172 8.6670 105.8310 45.4766 0.0000 173.0059 124 T 4.0780 7.6462 116.4567 61.7245 69.3619 173.3230 125 P 4.4033 0.0000 0.0000 62.8290 31.4985 177.0640 126 G 3.9145 8.8509 113.5394 47.3156 0.0000 173.6479 127 S 4.1926 8.0045 115.9329 61.4475 63.0117 176.7101 128 S 4.1436 7.8607 118.3214 61.1691 62.5519 176.7386 129 V 3.5260 7.5363 120.4641 65.8069 31.3438 177.7717 130 A 4.0654 8.0455 120.6512 55.0745 18.2247 179.7435 131 V 3.6067 7.7571 116.4799 66.0404 31.6523 178.5193 132 G 3.4977 8.0535 105.4408 47.8287 0.0000 175.8354 133 V 3.7930 8.4055 121.5220 65.6510 31.6710 178.3459 134 G 3.5704 8.6787 105.8418 47.6405 0.0000 175.9033 135 K 3.9522 7.9584 120.7081 59.5242 32.0511 179.3858 136 M 3.9862 7.8813 118.9167 57.9569 31.7820 178.5023 137 K 2.0000 7.4432 119.7319 58.8525 32.2589 178.1969 138 E 3.7672 7.6829 118.5552 59.3644 29.5347 178.7686 139 A 3.9469 7.8465 120.3898 55.0186 18.4342 179.4603 140 A 3.9898 8.4951 119.6532 55.2895 18.4783 179.9419 141 L 3.9701 8.3496 117.7478 57.8223 41.4872 179.4500 142 A 4.0336 7.8014 119.6565 55.2349 18.4517 179.5038 143 I 3.8092 7.7413 118.2087 64.5671 36.9986 178.8700 144 V 3.6431 7.6444 117.7551 66.0092 31.5085 177.2562 145 N 4.7074 8.4953 114.0296 53.2359 38.6147 174.7426 146 D 4.3548 7.2330 121.5901 53.7374 41.2773 174.3259 147 P 4.3925 0.0000 0.0000 63.8933 31.7812 176.2999 148 A 4.1145 8.3657 123.8287 52.9882 18.8207 177.4115 149 G 3.9740 8.9942 110.4777 45.9432 0.0000 173.1754 150 I 4.5313 7.4530 116.4779 59.0340 41.0081 174.1748 151 T 3.9652 8.4232 122.9331 62.7826 68.7017 172.7432 152 P 4.3136 0.0000 0.0000 62.2753 31.8646 175.8765 153 G 3.8537 7.7760 108.5521 46.0110 0.0000 170.8611 154 D 4.7643 8.4469 118.7927 53.1707 42.2376 175.5550 155 C 4.9015 8.4620 122.4936 59.1708 29.7763 175.7810 156 S 4.0609 8.9913 118.1407 61.7391 62.2415 176.2225 157 A 3.9368 7.9604 124.3816 54.5066 18.1781 179.0998 158 L 3.8540 7.9223 118.0049 58.2757 42.1235 178.7883 159 A 4.0432 8.5517 121.0274 55.2074 18.4092 179.5036 160 S 3.9756 8.3207 111.9853 61.4221 62.3324 176.0111 161 E 3.6529 8.1614 121.9622 59.2605 29.2545 178.7281 162 I 3.7588 8.1705 119.9375 64.5275 37.1913 178.2852 163 A 4.2331 8.3638 121.9736 55.1655 18.1367 179.8246 164 S 4.0658 7.7900 112.6349 61.7497 63.0878 176.4665 165 Y 4.3712 7.3791 120.4462 60.9086 37.6138 178.3183 166 F 4.2210 8.1039 118.7741 60.8490 39.0107 177.4748 167 D 4.4884 8.5389 118.4834 57.2585 40.5498 179.1241 168 R 3.9315 8.0884 118.4804 59.3085 29.9356 178.7263 169 A 4.0776 7.7283 118.7153 55.4663 18.5692 179.2228 170 C 4.2766 8.3645 114.7455 63.0867 27.7808 176.2312 171 A 4.0370 8.4809 122.4844 55.1452 17.7337 179.4956 172 A 4.0855 8.5753 118.5609 54.3234 18.6876 179.0669 173 V 4.3988 7.6737 108.3766 61.2871 32.7042 176.1651 174 S 4.3716 7.7676 119.4711 58.7368 62.7891 173.8891 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.25 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 F 8.64 4.87 0.00 3.22 2.86 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 3 D 9.17 5.04 0.00 3.09 2.88 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 4 A 8.59 3.89 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 5 F 7.93 4.16 0.00 3.32 3.05 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 6 T 8.76 4.17 4.49 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 1.44 0.00 0.00 7 K 8.13 3.39 0.00 1.96 1.93 0.00 0.83 0.00 0.00 1.35 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.31 7.81 8 V 7.32 3.74 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 9 V 7.69 3.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.06 0.00 0.00 10 S 8.16 4.15 0.00 4.13 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 0.00 11 Q 7.76 3.92 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 12 A 8.11 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.38 0.00 2.81 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 14 T 7.60 3.94 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 1.21 0.00 0.00 15 R 7.48 4.23 0.00 1.98 1.96 0.00 3.28 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 16 G 7.80 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 0.00 0.00 0.00 17 E 8.35 4.78 0.00 1.89 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 2.22 2.29 0.00 18 M 8.23 4.45 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 19 L 8.39 4.17 0.00 1.64 1.64 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.25 4.56 0.00 4.00 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 21 T 8.42 3.85 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 1.27 0.00 0.00 22 A 7.96 3.97 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 23 Q 7.93 3.99 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 24 I 7.91 3.80 2.03 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 1.55 0.79 0.94 0.00 0.00 25 D 8.45 4.35 0.00 2.82 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 26 A 8.50 4.02 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 27 L 7.74 3.94 0.00 1.94 1.89 1.08 1.17 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 28 S 8.27 4.22 0.00 4.05 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 29 Q 7.92 3.96 0.00 2.04 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 30 M 7.76 4.16 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 31 V 8.01 3.63 2.32 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 1.05 0.00 0.00 1.22 0.00 0.00 32 A 7.81 4.16 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 33 E 7.88 4.49 0.00 2.08 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 2.41 2.42 0.00 34 S 7.67 4.11 0.00 3.97 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 35 N 8.13 4.32 0.00 2.79 2.92 0.00 0.00 7.17 7.12 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 36 K 7.81 3.98 0.00 1.87 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 7.88 3.91 0.00 1.86 2.12 0.00 3.08 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 38 L 8.14 4.18 0.00 1.89 1.77 0.93 0.95 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 39 D 8.15 4.37 0.00 2.91 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 40 A 8.20 4.05 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 41 V 7.82 3.56 2.39 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 1.18 0.00 0.00 1.19 0.00 0.00 42 N 8.27 4.31 0.00 2.89 2.97 0.00 0.00 7.32 6.93 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 43 R 8.31 3.97 0.00 1.87 2.01 0.00 3.24 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 44 I 7.85 3.93 1.93 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 1.62 0.90 0.99 0.00 0.00 45 T 8.04 3.84 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 1.21 0.00 0.00 46 S 8.53 4.37 0.00 3.83 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 47 N 7.81 4.97 0.00 2.83 2.77 0.00 0.00 6.69 7.12 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 48 A 8.13 4.01 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 49 S 8.05 4.11 0.00 3.88 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 50 T 7.81 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 51 I 7.86 3.69 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.94 0.00 0.00 52 V 7.89 3.56 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 1.13 0.00 0.00 1.02 0.00 0.00 53 S 8.09 4.14 0.00 4.12 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 54 N 8.33 4.29 0.00 2.84 2.88 0.00 0.00 6.95 6.73 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 55 A 7.84 3.89 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 56 A 8.20 3.37 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 57 R 8.08 3.92 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 58 S 8.06 4.05 0.00 4.00 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 59 L 7.68 3.78 0.00 1.62 1.25 0.85 0.86 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 60 F 7.38 4.50 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.87 4.19 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 62 E 8.06 4.17 0.00 2.18 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 0.00 2.31 2.33 0.00 63 Q 8.46 4.63 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 64 P 0.00 4.36 0.00 2.22 2.35 0.00 3.81 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 65 Q 8.05 4.14 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 66 L 8.18 4.05 0.00 1.94 1.91 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.54 4.09 1.72 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 1.39 0.63 0.25 0.00 0.00 68 A 7.69 4.05 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 69 P 0.00 2.97 0.00 1.70 1.35 0.00 3.48 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 70 G 8.35 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 0.00 0.00 0.00 71 G 8.02 4.32 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 0.00 *75 A 8.69 4.14 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 76 Y 7.65 4.31 0.00 3.19 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 77 T 6.95 3.00 3.97 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 0.78 0.00 0.00 78 S 8.36 4.00 0.00 3.80 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 79 R 7.81 3.84 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 R 7.61 3.99 0.00 2.10 1.96 0.00 3.20 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 81 M 8.17 3.98 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 82 A 8.42 4.00 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 83 A 8.15 3.96 1.42 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 0.00 0.00 0.00 84 C 8.26 4.16 0.00 3.16 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 85 L 8.17 4.08 0.00 1.94 1.75 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.41 3.95 0.00 2.00 2.19 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 87 D 8.28 4.42 0.00 3.10 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 88 M 8.05 4.08 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 89 E 8.26 3.95 0.00 2.06 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 2.27 2.34 0.00 90 I 8.04 3.67 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.13 0.00 0.00 91 I 7.95 3.77 2.07 0.00 0.00 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 1.47 0.80 0.98 0.00 0.00 92 L 7.98 3.90 0.00 1.93 1.82 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.17 3.50 0.00 1.66 1.72 0.00 2.93 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 94 Y 7.72 3.59 0.00 2.96 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 95 V 7.55 3.44 1.87 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 0.43 0.00 0.00 0.61 0.00 0.00 96 T 7.79 3.93 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 1.23 0.00 0.00 97 Y 7.61 4.31 0.00 3.20 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 98 A 7.79 4.05 0.49 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 0.00 0.00 99 V 7.55 3.76 2.34 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 0.95 0.00 0.00 1.19 0.00 0.00 100 F 8.45 4.28 0.00 3.16 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 0.00 101 A 8.83 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.59 4.22 0.00 1.62 1.83 0.00 3.32 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 111 C 7.27 4.22 0.00 1.66 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 0.00 112 L 8.23 3.99 0.00 1.69 1.68 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.04 4.41 0.00 2.81 2.68 0.00 0.00 7.35 8.69 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 0.00 114 G 8.93 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 0.00 0.00 0.00 0.00 115 L 7.82 3.70 0.00 1.82 1.71 0.32 0.62 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 0.00 116 R 7.86 3.98 0.00 2.20 1.92 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 117 E 8.08 4.01 0.00 2.23 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 2.39 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.00 4.19 0.00 4.05 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 0.00 128 S 7.86 4.14 0.00 4.03 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 0.00 129 V 7.54 3.53 2.15 0.00 0.00 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 0.49 0.00 0.00 130 A 8.05 4.07 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 0.00 131 V 7.76 3.61 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 0.95 0.00 0.00 0.99 0.00 0.00 132 G 8.05 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.41 3.79 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 1.22 0.00 0.00 1.04 0.00 0.00 134 G 8.68 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 0.00 135 K 7.96 3.95 0.00 1.94 1.78 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.62 7.81 136 M 7.88 3.99 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 137 K 7.44 2.00 0.00 0.93 1.58 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 0.91 7.81 138 E 7.68 3.77 0.00 2.00 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 2.25 2.28 0.00 139 A 7.85 3.95 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 0.00 140 A 8.50 3.99 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 0.00 0.00 0.00 0.00 0.00 141 L 8.35 3.97 0.00 1.76 1.72 0.90 0.84 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 0.00 142 A 7.80 4.03 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 0.00 143 I 7.74 3.81 2.06 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 1.41 0.91 0.98 0.00 0.00 144 V 7.64 3.64 2.24 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 0.87 0.00 0.00 1.03 0.00 0.00 145 N 8.50 4.71 0.00 2.76 2.85 0.00 0.00 7.01 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 0.00 146 D 7.23 4.35 0.00 2.73 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 0.00 147 P 0.00 4.39 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 8.37 4.11 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 0.00 149 G 8.99 3.97 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 0.00 0.00 0.00 150 I 7.45 4.53 1.88 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 1.43 0.75 0.97 0.00 0.00 151 T 8.42 3.97 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 1.22 0.00 0.00 152 P 0.00 4.31 0.00 2.18 2.06 0.00 3.88 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 1.99 1.97 0.00 153 G 7.78 3.85 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 0.00 0.00 0.00 154 D 8.45 4.76 0.00 2.62 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 0.00 155 C 8.46 4.90 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.99 4.06 0.00 4.01 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 0.00 157 A 7.96 3.94 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 0.00 158 L 7.92 3.85 0.00 1.77 1.87 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.55 4.04 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 0.00 160 S 8.32 3.98 0.00 3.85 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 0.00 161 E 8.16 3.65 0.00 1.98 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 1.86 2.14 0.00 162 I 8.17 3.76 2.11 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 1.58 1.21 1.15 0.00 0.00 163 A 8.36 4.23 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 0.00 164 S 7.79 4.07 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.38 4.37 0.00 3.01 2.86 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 0.00 166 F 8.10 4.22 0.00 3.25 3.05 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 0.00 167 D 8.54 4.49 0.00 2.89 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 0.00 168 R 8.09 3.93 0.00 2.22 2.04 0.00 3.39 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 169 A 7.73 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.28 0.00 3.24 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 0.00 171 A 8.48 4.04 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 0.00 172 A 8.58 4.09 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 0.00 173 V 7.67 4.40 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 1.23 0.00 0.00 1.17 0.00 0.00 174 S 7.77 4.37 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.