NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5413 8.3493 120.4991 53.6359 43.0218 174.5071 6 Y 4.7584 7.1061 115.4971 54.6320 41.6266 172.6009 7 D 4.4856 9.8802 122.6462 55.5374 41.5348 179.3800 8 Y 4.4499 9.1445 120.0383 58.1926 39.6617 175.7328 9 L 4.4265 8.1805 122.5977 53.4428 42.7589 174.6898 10 I 4.4314 7.9559 117.4043 58.5999 39.7401 175.1971 11 K 4.5569 8.3214 123.4912 54.7554 33.8652 175.0834 12 L 4.6673 8.3948 126.0556 52.6763 44.7841 175.3264 13 L 4.6891 7.8839 123.7760 53.1146 44.6741 174.6716 14 A 5.0132 8.5201 127.4699 50.3794 20.8410 175.9295 15 L 4.1961 9.4664 121.1367 52.1252 45.5100 176.3706 16 G 3.9065 6.9373 109.5399 43.4048 0.0000 171.7819 17 D 4.6927 8.0957 120.6338 53.6590 41.4326 175.9994 18 S 4.4201 8.4184 114.5465 62.0427 61.2441 173.3170 19 G 4.0736 8.8371 117.0641 45.7777 0.0000 173.6482 20 V 3.7853 7.6908 115.1439 62.9174 32.2638 176.0675 21 G 4.0033 8.0883 109.4425 46.1675 0.0000 176.5370 22 K 3.9864 8.5260 121.4122 59.2498 32.3479 178.7025 23 T 3.8722 7.8470 115.3855 66.9831 68.4245 176.2841 24 T 3.9723 8.0403 116.9797 66.9003 68.5299 175.9477 25 F 4.0690 8.1883 121.8007 61.3391 39.3248 177.1183 26 L 4.0293 8.1792 118.4142 58.0563 41.2897 178.5876 27 Y 4.2279 8.0781 118.2441 60.9082 38.7020 177.9326 28 R 3.7905 7.9676 118.1828 59.5403 30.2154 177.5791 29 Y 4.0277 7.3879 117.8306 60.1872 40.2902 177.4870 30 T 4.2385 7.6885 111.7165 59.6447 66.5399 175.1952 31 D 4.3452 7.2259 122.1961 54.4137 40.2237 174.0685 32 N 4.5428 7.7741 118.8227 51.6925 41.8652 176.4049 33 K 3.8680 8.1317 114.3628 56.4003 29.7976 175.3418 34 F 4.7193 7.7218 118.4532 57.5660 39.2882 175.7394 35 N 5.1304 8.5175 124.1553 50.8126 38.5310 172.4891 36 P 4.3618 0.0000 0.0000 62.5259 32.4700 176.6738 37 K 4.4292 8.5349 122.7150 55.1458 33.3760 175.7192 38 F 4.7437 8.7482 125.0868 56.2121 40.6431 174.7098 39 I 4.4430 7.6063 120.8893 59.1391 39.8495 174.8868 40 T 4.4810 7.9837 120.1101 61.3027 72.1714 173.8980 41 T 3.9953 8.3379 115.6236 61.8628 69.4281 174.3807 42 V 4.3063 8.0481 116.6801 59.6440 34.7736 175.2920 43 G 3.7569 8.7298 115.0896 44.8980 0.0000 172.4366 44 I 4.4054 8.0349 117.0132 58.5077 39.3947 174.9655 45 D 4.3560 8.5684 125.3744 55.1588 41.1101 175.7477 46 F 4.6242 7.6713 115.7620 56.3696 40.8822 172.4448 47 R 4.5514 8.6493 116.8000 54.8903 34.7972 174.1703 48 E 5.6370 8.2670 116.3460 55.9071 32.7854 174.7508 49 K 4.4197 8.1761 121.5896 55.4198 35.5419 175.0732 50 R 4.5038 8.5994 127.0545 56.5087 31.1792 176.7518 51 V 4.5847 8.8260 116.3006 59.7824 36.0812 174.9345 52 V 4.0608 8.5918 125.5872 62.2445 32.7475 175.3851 53 Y 4.8425 9.5546 123.7418 56.7831 41.6668 173.5327 54 D 5.1015 9.2075 126.2437 52.0904 43.6093 176.5455 55 T 4.9291 7.1646 131.9275 64.5685 72.8443 172.8875 *64 K 3.8774 7.4978 120.1930 56.4042 33.8324 175.3327 65 A 4.7791 8.2598 127.4218 49.5762 18.9494 175.6028 66 F 4.3427 8.9111 119.3901 57.7495 40.6210 174.1922 67 K 5.0611 8.7997 120.2548 54.8955 34.5753 175.8216 68 V 4.6331 8.4594 122.5505 61.5237 35.6357 173.2490 69 H 5.1257 8.8803 124.9968 54.4162 32.3921 172.3579 70 L 4.8389 8.3794 125.2168 53.2425 44.3412 175.4367 71 Q 5.2482 8.8219 121.4029 54.4660 31.0349 175.0039 72 L 4.8035 9.5001 125.9450 53.1934 43.3157 175.7025 73 W 5.2359 9.2051 124.1597 54.7282 31.8330 175.3322 74 D 5.1155 8.5876 122.1796 51.4312 41.7109 177.2203 75 T 4.0995 8.5600 111.4584 64.3707 69.0243 175.6027 76 A 4.2807 7.6026 123.4142 53.3544 18.1818 178.1644 77 G 3.8365 8.5784 106.4523 47.1962 0.0000 176.2146 78 L 3.9622 7.6702 121.3089 57.6205 42.6103 177.6888 79 E 4.5235 7.9994 117.5042 56.1832 28.1737 176.5954 80 R 4.3082 7.3499 115.2571 57.3390 30.3742 175.8693 81 F 4.9898 7.5723 113.4563 58.2187 39.2130 176.0408 82 R 4.5884 7.8891 118.1107 55.9991 29.9339 174.9677 83 S 4.7480 7.6011 110.9904 58.2879 68.7713 176.4704 84 L 4.2540 8.3074 122.5491 57.8205 41.7569 178.2964 85 T 4.4589 8.1979 108.1852 63.6992 69.1527 176.2503 86 T 4.1853 7.9573 116.0392 64.8023 67.3644 175.7192 87 A 3.5448 7.7187 120.3331 54.0352 18.3812 179.0732 88 F 4.3490 7.4923 115.6267 60.0919 39.6407 177.5823 89 F 4.2731 8.7088 120.7230 60.0957 39.1291 175.2943 90 R 4.1189 8.4580 120.0077 57.5199 30.0834 176.4705 91 D 4.5749 9.0532 123.1938 54.5152 39.2899 174.0600 92 A 3.7887 7.4478 122.9141 51.7145 18.5897 177.2014 *94 G 3.7760 8.3159 108.5115 46.4608 0.0000 172.3606 95 F 4.8230 8.2740 119.2430 56.4238 42.7791 173.9286 96 L 4.4953 8.9167 126.6462 53.4890 42.2782 176.5598 97 L 4.3954 8.5332 125.2739 54.1312 43.3758 176.6358 *99 F 4.8678 8.3794 116.4346 57.0259 40.1567 172.5480 100 D 4.9653 8.5558 118.4274 52.6890 42.1173 177.4302 101 L 4.2370 9.0564 127.2306 57.8939 41.9091 178.5073 102 T 4.3150 8.4195 107.5242 61.4424 68.9854 174.3756 103 S 4.7236 8.1187 117.2071 56.3334 64.9434 174.3655 104 Q 4.1995 9.8838 128.4664 59.4635 28.4693 178.3629 105 Q 3.9152 8.2270 119.9728 59.4725 28.7987 178.8191 106 S 5.0742 7.6227 114.7657 61.0740 63.0797 176.0346 107 F 3.7206 7.9024 123.0340 60.7333 39.2494 177.1739 108 L 3.5281 8.0406 118.2042 57.3922 41.1338 178.7898 109 N 4.5584 8.0425 115.0513 54.9440 38.7972 177.0137 110 V 4.0195 7.9626 121.0780 65.7911 31.3072 177.9577 111 R 3.8065 6.8041 113.4038 58.9750 29.7404 176.5773 112 N 4.9553 7.7100 114.5152 50.7800 38.6448 176.3768 113 W 4.4746 8.1768 122.0956 55.0588 29.0071 177.1882 *115 S 4.2601 7.5107 117.0221 57.6690 62.6925 172.3302 *125 N 4.4406 8.5417 115.5791 52.0306 38.0784 172.5380 126 P 4.7901 0.0000 0.0000 61.2157 33.7628 174.0646 127 D 4.8460 8.4678 117.9028 54.2687 41.7659 176.0334 128 I 4.9801 8.2687 115.2492 59.4973 41.4924 174.9198 129 V 4.5922 8.5232 123.0312 61.6192 35.0169 173.5220 130 L 4.9399 8.8236 130.5703 55.0716 43.4323 175.5118 131 I 4.9920 9.2531 126.5244 59.4752 40.8643 175.0690 132 G 3.1406 9.2343 114.3486 44.3355 0.0000 171.6543 133 N 5.1540 8.6294 125.8542 51.9650 42.1615 174.8335 134 K 3.9258 8.5888 117.6725 57.0081 28.8578 178.8951 135 A 4.0491 7.8444 124.6348 55.0918 18.3067 179.5734 136 D 4.5236 8.1060 113.3286 54.8537 39.8753 176.7859 137 L 4.5772 7.7393 121.9893 52.6670 41.1231 174.6994 138 P 4.5951 0.0000 0.0000 62.9449 32.0479 177.0931 139 D 4.8356 7.4728 117.1793 54.1938 41.0551 177.2811 140 Q 4.1736 8.0249 116.6290 56.7169 29.1925 176.1872 141 R 4.0434 7.8910 118.9004 56.8807 30.4257 175.9155 142 E 4.5899 8.9202 119.3032 56.0693 31.4319 174.8458 143 V 4.2942 7.6841 119.5020 61.0280 33.1386 174.9801 144 N 4.5948 8.1205 124.0806 52.3131 38.3910 176.0323 145 E 3.9901 8.6905 119.0922 59.5403 29.8457 178.4648 146 R 3.8300 8.0449 118.4978 59.7928 29.9231 178.0825 147 Q 3.8991 8.8385 117.2253 58.9555 28.7324 177.7438 148 A 3.7641 7.0874 121.7920 55.1425 18.3015 179.9343 149 R 3.6813 7.5590 113.9112 58.8549 29.4911 178.3859 150 E 3.7816 8.1789 120.6191 59.1498 29.4643 178.5110 151 L 3.6392 8.2272 120.2222 58.0818 42.0103 178.6358 152 A 4.0144 8.0664 120.9964 55.2520 18.0263 179.2849 153 E 3.8131 8.3482 116.9509 59.2386 29.8410 178.4809 154 K 3.7982 7.5546 118.5299 57.4749 32.2025 176.8260 155 Y 4.3931 7.2161 113.8396 58.1563 36.2252 176.3139 156 G 4.4181 8.6698 111.2771 46.1325 0.0000 173.2141 157 I 4.6791 7.5126 112.5828 57.8951 40.5932 173.9516 158 P 4.4916 0.0000 0.0000 62.8206 32.6390 174.5752 159 Y 5.3432 7.9982 122.1991 56.0013 41.9790 174.7277 160 F 4.5488 8.1212 123.1834 55.6929 43.4905 173.4598 161 E 4.6487 8.5058 123.6917 55.9062 30.3109 175.8053 162 T 4.7973 8.9278 114.2924 60.2058 73.3702 172.9869 163 S 4.9245 8.4798 114.7973 58.0485 64.9189 174.5751 164 A 3.9534 9.0904 130.1003 53.9458 19.0378 178.3174 165 A 4.1396 8.1010 118.7157 55.4423 18.5967 178.9345 166 T 4.0232 7.6862 103.8232 62.0002 69.9659 174.4145 167 G 3.5402 7.9241 108.6777 45.4977 0.0000 172.8838 168 Q 3.8115 8.4870 118.5231 58.0073 30.0321 176.3577 169 N 4.9737 8.0896 111.9694 50.7242 37.8035 175.3098 170 V 3.5532 7.3140 121.5039 67.0936 31.5517 176.4277 171 E 4.0691 7.9778 117.0583 59.4305 29.4834 179.2187 172 K 3.9112 7.8992 118.9413 59.6054 31.9533 178.7968 173 S 2.9231 7.5487 114.3486 61.2958 62.8973 176.6065 174 V 3.5561 7.7017 121.0052 65.6199 31.0482 177.3307 175 E 3.8789 9.0926 119.8820 59.8927 29.3753 178.8719 176 T 3.8968 8.1701 115.7614 66.7239 68.5307 176.2729 177 L 4.0176 7.6349 122.2932 57.9408 41.8633 179.0548 178 L 3.9458 7.7705 118.0403 57.9886 41.8141 178.9862 179 D 4.5099 8.0174 115.4676 55.8443 40.8234 177.4496 180 L 4.4621 7.3371 120.6097 56.4662 43.7567 177.7043 181 I 4.4393 7.9489 121.2885 60.7754 35.0437 175.0746 *183 K 4.3891 7.9830 121.6309 55.3316 34.9505 177.0426 184 R 4.2255 7.6210 123.2552 55.7515 31.0098 175.0077 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 5 D 8.35 4.54 0.00 2.78 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 6 Y 7.11 4.76 0.00 3.12 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 7 D 9.88 4.49 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 9.14 4.45 0.00 2.86 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 9 L 8.18 4.43 0.00 1.55 1.58 0.45 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.96 4.43 1.88 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 1.30 0.77 0.99 0.00 0.00 11 K 8.32 4.56 0.00 1.69 1.79 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.33 7.81 12 L 8.39 4.67 0.00 1.45 1.41 0.84 0.86 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 13 L 7.88 4.69 0.00 1.36 1.12 0.91 0.89 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 14 A 8.52 5.01 1.13 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 15 L 9.47 4.20 0.00 0.91 0.58 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.94 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 17 D 8.10 4.69 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.42 4.42 0.00 3.88 3.87 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 19 G 8.84 4.07 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 0.00 0.00 0.00 20 V 7.69 3.79 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 0.85 0.00 0.00 0.88 0.00 0.00 21 G 8.09 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 0.00 0.00 0.00 22 K 8.53 3.99 0.00 1.80 1.83 0.00 1.51 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 23 T 7.85 3.87 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 1.21 0.00 0.00 24 T 8.04 3.97 4.33 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 1.29 0.00 0.00 25 F 8.19 4.07 0.00 3.25 3.22 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 0.00 0.00 0.00 0.00 26 L 8.18 4.03 0.00 2.04 1.83 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.08 4.23 0.00 2.96 3.24 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 0.00 28 R 7.97 3.79 0.00 1.75 2.08 0.00 3.25 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 29 Y 7.39 4.03 0.00 2.57 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 30 T 7.69 4.24 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 1.31 0.00 0.00 31 D 7.23 4.35 0.00 2.53 2.42 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 32 N 7.77 4.54 0.00 2.43 2.72 0.00 0.00 6.37 7.13 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 33 K 8.13 3.87 0.00 1.73 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 34 F 7.72 4.72 0.00 3.32 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 35 N 8.52 5.13 0.00 2.73 2.79 0.00 0.00 7.20 8.02 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 36 P 0.00 4.36 0.00 2.09 2.03 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 37 K 8.53 4.43 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 F 8.75 4.74 0.00 2.92 2.89 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 39 I 7.61 4.44 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.87 0.00 0.00 40 T 7.98 4.48 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 1.20 0.00 0.00 41 T 8.34 4.00 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 1.18 0.00 0.00 42 V 8.05 4.31 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 0.82 0.00 0.00 0.95 0.00 0.00 43 G 8.73 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 44 I 8.03 4.41 1.87 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 0.70 0.94 0.00 0.00 45 D 8.57 4.36 0.00 2.60 2.57 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 46 F 7.67 4.62 0.00 2.40 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.65 4.55 0.00 1.70 1.69 0.00 3.08 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 48 E 8.27 5.64 0.00 1.91 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 0.00 2.02 2.11 0.00 49 K 8.18 4.42 0.00 1.79 1.63 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 50 R 8.60 4.50 0.00 1.75 1.88 0.00 3.31 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 51 V 8.83 4.58 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 0.74 0.00 0.00 0.95 0.00 0.00 52 V 8.59 4.06 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 0.71 0.00 0.00 1.04 0.00 0.00 53 Y 9.55 4.84 0.00 3.01 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 54 D 9.21 5.10 0.00 2.57 2.45 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 55 T 7.16 4.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 *64 K 7.50 3.88 0.00 1.56 1.44 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.37 7.81 65 A 8.26 4.78 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 66 F 8.91 4.34 0.00 3.40 3.12 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 67 K 8.80 5.06 0.00 1.70 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.45 7.81 68 V 8.46 4.63 2.12 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 1.02 0.00 0.00 0.96 0.00 0.00 69 H 8.88 5.13 0.00 3.18 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.38 4.84 0.00 1.71 1.58 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.82 5.25 0.00 2.14 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 72 L 9.50 4.80 0.00 1.58 1.69 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.21 5.24 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 83 S 7.60 4.75 0.00 3.87 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 84 L 8.31 4.25 0.00 1.82 1.86 1.09 1.20 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 85 T 8.20 4.46 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 1.45 0.00 0.00 86 T 7.96 4.19 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 1.33 0.00 0.00 87 A 7.72 3.54 1.30 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 0.00 0.00 88 F 7.49 4.35 0.00 3.36 3.10 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 89 F 8.71 4.27 0.00 3.38 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 90 R 8.46 4.12 0.00 1.88 1.92 0.00 3.46 0.00 0.00 3.26 7.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.35 3.81 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 154 K 7.55 3.80 0.00 1.69 1.39 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 155 Y 7.22 4.39 0.00 3.08 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 0.00 156 G 8.67 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 0.00 0.00 0.00 0.00 157 I 7.51 4.68 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 1.01 0.00 0.00 158 P 0.00 4.49 0.00 2.13 1.91 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 159 Y 8.00 5.34 0.00 2.80 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 0.00 160 F 8.12 4.55 0.00 2.93 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 0.00 161 E 8.51 4.65 0.00 1.70 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 2.28 2.32 0.00 162 T 8.93 4.80 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 1.29 0.00 0.00 163 S 8.48 4.92 0.00 3.88 3.71 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 0.00 164 A 9.09 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.10 4.14 1.30 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 0.00 0.00 166 T 7.69 4.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 167 G 7.92 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.81 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.27 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 169 N 8.09 4.97 0.00 2.75 2.85 0.00 0.00 5.57 7.68 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 0.00 170 V 7.31 3.55 1.92 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 0.35 0.00 0.00 0.76 0.00 0.00 171 E 7.98 4.07 0.00 2.04 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 2.51 2.45 0.00 172 K 7.90 3.91 0.00 1.72 1.56 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 173 S 7.55 2.92 0.00 3.98 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 0.00 174 V 7.70 3.56 1.49 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 0.45 0.00 0.00 0.43 0.00 0.00 175 E 9.09 3.88 0.00 2.21 2.04 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 2.31 2.50 0.00 176 T 8.17 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 177 L 7.63 4.02 0.00 1.86 1.68 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.77 3.95 0.00 1.84 1.69 0.93 0.96 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 0.00 179 D 8.02 4.51 0.00 2.65 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 0.00 180 L 7.34 4.46 0.00 1.86 1.90 0.96 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.95 4.44 2.05 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 1.25 1.73 0.97 0.00 0.00 *183 K 7.98 4.39 0.00 1.96 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 184 R 7.62 4.23 0.00 1.82 1.84 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.