NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3238 8.4145 122.1453 54.6011 33.3343 175.9091 5 I 4.0424 8.4841 122.6070 58.9538 36.1181 170.1270 6 S 5.0581 8.1125 113.7006 56.6896 66.6414 172.8498 7 A 4.3638 9.2304 122.7350 52.4634 18.6880 177.2102 8 L 4.5688 8.0356 119.0564 53.1592 43.6300 176.4471 9 D 4.1761 8.3403 123.1527 52.6704 41.0715 176.7189 *14 E 4.2542 8.2787 112.0266 56.6475 31.0511 174.7734 15 L 4.2501 8.3519 122.6857 54.0255 42.5414 177.8190 16 S 4.4178 8.2715 116.3641 57.9069 65.4480 174.9558 17 E 3.9026 8.8147 123.3715 59.6326 29.1887 178.1708 18 P 4.2590 0.0000 0.0000 65.7476 31.3454 178.8732 19 T 3.7317 7.5299 113.8091 66.1950 68.3521 176.8127 20 K 3.8817 8.0994 120.5768 59.6640 32.1771 178.9129 21 A 4.0156 7.8781 120.4505 55.3740 18.3187 179.0021 22 Y 4.1157 8.0908 117.9376 61.0896 38.8663 178.3751 23 F 4.4633 8.9922 119.3542 60.3431 38.9483 177.2244 24 A 4.0901 8.7040 123.5533 56.1298 17.6639 180.5161 25 K 4.0992 8.0508 121.1908 59.3514 31.7128 180.8960 26 C 4.1922 7.8540 115.9464 63.1196 28.1273 175.1322 27 E 3.8187 8.4100 121.1582 59.6693 28.9337 178.7238 28 E 3.9577 7.9883 119.0983 60.1012 29.7077 179.6686 29 K 4.2989 7.3916 120.0840 58.5590 32.5356 179.7465 30 L 4.3119 8.1342 119.3831 55.7489 42.1904 176.7833 31 G 4.2633 8.3786 108.5198 45.1087 0.0000 173.4520 32 L 4.5456 7.1949 117.0045 53.1439 43.1443 176.0339 33 V 3.8220 7.8191 119.3940 60.4592 31.3808 173.8441 34 P 4.4539 0.0000 0.0000 63.2924 31.9119 177.5340 35 N 4.4133 9.7716 121.1104 56.2488 38.2728 177.9660 36 V 3.4943 8.1260 120.8129 64.9584 31.0374 178.5321 37 L 4.1756 7.7843 118.4324 57.2633 41.5972 179.1913 38 K 4.4094 7.9750 117.9752 58.8823 31.9093 179.0517 39 A 4.0490 7.6939 120.2474 55.4098 18.8382 178.9125 40 Y 3.8665 7.9412 113.6894 59.4969 37.7838 177.5968 41 A 4.2696 7.6814 122.0795 54.0861 18.5316 178.4993 42 F 4.3316 8.2456 111.8015 58.8672 38.5957 175.6303 43 D 4.5082 7.2716 120.1072 51.7116 43.9985 175.4878 44 D 4.4423 8.8202 129.6898 57.2056 40.9104 179.0370 45 K 3.8955 8.2986 124.9944 59.9791 31.7126 184.2787 46 K 4.2156 7.8966 118.9976 59.0159 31.9349 179.2330 47 L 3.9775 8.1687 123.0444 58.9900 42.1377 179.9887 48 R 3.8423 8.0063 120.2021 61.1306 29.1468 180.5308 49 A 4.1835 7.8429 119.8380 55.0472 18.3534 179.4394 50 F 3.9590 8.1551 119.4108 61.7417 39.4077 177.5964 51 T 3.6736 8.2675 109.6214 64.6476 67.9345 176.2528 52 D 4.2510 8.0149 121.9305 57.2436 40.8738 178.7448 53 I 3.5911 7.7716 120.4335 64.2564 36.8561 177.8579 54 Y 3.1823 7.4147 119.3729 60.6494 38.6860 177.6339 55 N 4.5331 8.0706 116.0242 56.1382 38.8764 176.8093 56 D 4.3824 7.6420 118.7034 57.1353 41.2527 177.7010 57 L 3.8009 7.2305 116.7381 56.8221 41.9454 177.2496 *59 L 4.2073 7.7803 116.4854 54.7867 43.4910 176.9831 60 G 3.8019 7.8699 110.2606 44.9325 0.0000 173.9134 61 E 4.0685 8.3893 115.7707 56.0377 30.0513 175.1935 62 S 4.6746 8.1592 116.5614 56.3143 65.1867 174.4384 63 G 3.8790 8.4966 112.2683 46.0668 0.0000 173.7615 64 L 4.5257 7.6677 121.2957 53.5256 42.5532 177.5025 65 S 4.3988 8.7012 118.8964 58.1401 65.0010 175.7281 66 K 3.9835 8.4422 120.7553 59.3680 31.4919 179.4474 67 L 3.9544 7.8081 119.5241 57.9873 42.1858 177.9168 68 D 4.5710 8.0804 118.2837 57.9219 41.1808 179.2131 69 R 4.0965 7.7612 118.1139 58.8033 30.0041 179.0855 70 E 4.0061 7.9928 118.1795 56.4288 29.5713 179.1686 *72 I 3.8705 7.8119 120.9036 61.3721 39.4925 177.8824 73 A 3.0585 7.5855 121.8272 55.0151 17.7670 179.9195 74 V 3.4769 7.5626 116.2449 65.7559 31.4927 178.0816 75 A 3.9693 7.7654 120.1300 55.1090 18.2401 179.6538 76 V 3.5321 7.7492 116.6301 66.3952 31.6595 178.5725 77 S 5.0647 7.9903 116.0264 60.9024 62.4156 176.7573 78 S 4.1000 8.3237 116.4890 61.4194 61.9590 176.1978 79 I 3.6928 7.3033 121.4923 64.2162 36.9747 177.4500 80 N 4.5502 8.0854 114.3022 52.8416 39.6259 174.4523 81 H 3.9752 7.4664 116.8507 56.8228 26.7827 175.3952 82 C 4.5781 8.4527 120.3707 58.1298 32.3744 173.1356 83 Y 4.3077 8.9028 128.7751 61.0402 38.4060 176.8669 84 Y 3.5538 8.1275 119.8208 61.1743 38.9583 177.9445 85 C 4.4028 8.2389 116.9135 62.7247 28.3868 175.9750 86 L 4.1787 8.2770 120.8853 57.7822 41.2404 179.8104 87 T 3.6863 7.5704 115.6036 66.4659 68.3246 176.8849 88 A 2.5800 7.4763 122.7634 54.9315 18.2721 179.1936 89 H 4.3503 8.3822 114.5637 57.6882 28.8493 178.3268 90 G 3.4909 7.7609 107.5578 47.6962 0.0000 175.2899 91 A 3.9775 7.6578 123.3343 54.9365 18.2683 179.6259 92 A 3.9298 7.5558 119.0078 55.2741 18.4733 179.9066 93 V 3.5389 7.9993 116.9967 66.3446 31.6775 178.4874 94 R 3.9339 8.2338 117.9019 59.2044 29.6547 178.9328 95 Q 3.9711 8.0458 118.4545 59.1814 29.2017 177.8504 96 L 4.1637 8.1442 119.5493 57.6770 41.7919 179.1760 97 S 4.4093 8.2246 112.7243 58.6821 63.3579 175.4310 98 G 3.8726 7.8562 108.9672 45.7629 0.0000 173.4739 99 D 4.6576 8.0058 119.6237 50.2804 41.8921 173.6848 100 P 4.2525 0.0000 0.0000 65.4764 31.2065 177.7243 101 A 4.0088 8.0306 117.9038 54.9199 18.4011 178.9375 102 L 4.1499 7.8823 117.8511 58.1858 42.5811 178.9015 103 G 4.0033 8.1578 105.1481 47.9906 0.0000 176.7492 104 E 3.9649 7.7248 118.8682 56.2780 29.8714 178.2918 *106 L 4.4413 7.9211 120.8277 54.9837 43.5783 178.3770 107 V 3.5246 7.5899 115.0039 64.2673 31.4419 175.1310 *109 N 4.4395 7.9401 117.2696 53.6254 38.8299 174.4210 110 F 4.3127 8.7814 122.1456 59.7193 37.9641 177.2220 111 R 3.8330 7.1739 118.3382 57.3907 29.6540 176.7303 112 A 4.3805 7.8817 120.1367 52.0903 19.1968 177.5750 113 A 4.3554 8.0047 118.5132 51.7219 19.5294 176.9680 114 D 4.4245 8.0015 113.8803 55.2390 37.6893 174.0836 115 L 4.4712 7.8108 117.6145 53.9056 43.0282 177.9068 116 S 4.4193 9.4480 116.0219 57.5377 65.0020 173.3433 117 P 4.2315 0.0000 0.0000 66.0510 30.7858 178.8200 118 R 3.8594 7.8431 115.6251 59.6566 30.1527 178.1828 119 Q 4.2291 7.7358 116.3953 59.0660 28.9331 178.4266 120 T 4.1960 8.3655 116.9458 66.6164 68.5534 177.2140 121 A 4.1209 7.9834 119.4604 53.2194 18.5355 178.9838 *123 L 3.9836 7.8752 122.2655 56.1586 43.9917 179.1867 124 E 4.1006 8.5913 118.4888 59.4524 29.2500 179.2502 125 F 4.0710 8.4080 120.3583 61.2455 39.5501 176.9702 126 A 3.9008 8.0939 119.9625 55.0638 18.0614 179.5641 127 V 3.4923 8.3163 117.0162 66.0460 31.5903 178.2729 128 K 3.8320 7.8062 119.0236 59.3681 31.8283 178.4324 129 L 3.6913 7.4092 119.6443 58.3931 41.9180 178.9299 130 T 4.0070 7.5158 114.6499 66.5049 68.5364 176.2267 131 E 4.3882 8.2111 119.4286 57.6169 31.3967 177.2837 132 E 4.7534 8.1520 116.8502 54.3311 30.6776 173.6962 133 P 4.1474 0.0000 0.0000 66.0999 32.1980 179.4047 134 A 3.9773 8.0766 121.0444 54.6144 18.2311 177.9226 135 K 4.4486 7.7047 113.0336 56.1471 32.3147 176.6559 136 I 4.0824 7.3822 120.9683 61.4420 37.5609 175.7418 137 V 4.5863 8.9443 117.3062 58.5407 36.0985 175.8633 138 E 3.9458 8.9149 120.1109 59.7442 29.2274 178.3782 139 A 4.0228 8.1367 120.0684 55.1899 18.1592 179.2434 140 D 4.4414 8.2574 117.7421 57.5950 40.9084 179.0991 141 R 3.8389 8.0629 117.9615 59.0927 30.0813 178.6396 142 A 3.9850 8.3352 120.5776 55.2490 18.1010 179.5702 143 A 3.9766 8.0894 119.1258 55.2004 18.4786 179.9302 144 L 4.1095 7.6744 117.7714 57.9774 41.6467 179.8341 145 R 4.2428 8.1358 119.4676 58.8183 29.8482 179.2315 146 K 4.0624 8.2093 116.7763 58.8705 32.0509 178.0924 147 A 4.4546 7.4263 118.7044 51.7574 18.9930 177.7305 148 G 3.7860 8.1512 106.7994 45.1859 0.0000 174.2055 149 F 4.5505 7.8280 119.0292 56.9115 39.7011 175.7895 150 S 4.4961 8.9651 120.3218 57.8695 65.2921 175.2950 151 D 4.4088 8.5108 121.1698 57.2574 40.4266 178.9880 152 R 3.9508 7.9732 119.1385 59.3593 29.6761 178.1002 153 D 4.3956 8.3823 119.0475 57.3197 40.8534 178.7620 154 I 3.3826 7.9120 120.3137 63.9629 37.1251 177.8939 155 W 4.1779 8.3347 129.3291 60.9885 30.4228 177.7713 156 D 4.4662 8.4298 118.5192 57.3452 40.2859 178.8326 157 I 3.5701 7.9688 120.4812 64.2144 37.0936 178.3550 158 A 4.1158 7.9281 121.5207 55.2731 18.1409 179.8748 159 S 3.8529 7.7889 113.5507 61.9055 62.8718 177.0547 160 T 3.9460 7.7994 118.0323 66.7407 68.3489 176.5820 161 A 4.0745 8.1383 122.3579 55.1480 18.1601 179.5830 162 A 3.9395 8.3611 118.7676 55.1917 18.5280 179.2320 163 F 4.1261 8.6720 118.8217 61.4850 39.7157 177.0169 164 F 4.0627 8.3978 116.6029 59.3306 37.2138 177.3398 165 N 4.7057 7.7592 114.6683 53.8616 38.1164 176.9907 *167 S 4.3223 8.0068 118.2750 58.6983 65.0297 175.9772 168 N 4.3643 8.2093 117.5157 56.4811 38.1624 177.5479 169 R 4.0579 7.4948 118.7564 58.5871 30.4400 179.1187 170 V 3.4961 7.6411 117.4328 65.8982 31.5355 177.5790 171 A 3.8902 8.1500 120.4828 55.3429 17.9958 179.5448 172 A 3.9880 7.9198 117.5812 55.0000 18.4931 179.3443 173 A 4.1101 7.9552 118.7816 54.8589 18.7866 179.0803 174 I 4.0401 7.5765 108.5914 58.9782 38.4323 171.4706 175 D 4.3494 7.3622 127.3081 53.7538 42.5915 172.5034 *177 R 4.4672 8.3301 122.8458 55.4842 31.2610 173.8279 178 P 4.4670 0.0000 0.0000 61.6770 32.5779 175.7964 179 N 4.2692 8.6853 117.2674 53.5923 38.8036 175.8349 180 D 4.4901 8.8142 122.2166 57.3529 40.7714 178.1158 181 E 3.9593 7.9412 118.2875 59.0114 29.1925 178.4112 182 Y 4.0980 7.3587 116.6409 61.2955 37.9069 177.2403 183 H 4.2770 7.6484 116.0504 58.9417 29.3623 176.5255 184 A 4.1869 7.1966 122.2406 51.0668 16.7060 177.4487 *186 A 4.1688 7.4323 124.8917 51.4499 20.4832 177.5295 187 R 4.2438 7.9219 124.5451 56.9063 30.4135 177.0832 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 4 K 8.41 4.32 0.00 1.79 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 I 8.48 4.04 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 1.47 1.04 0.91 0.00 0.00 6 S 8.11 5.06 0.00 4.03 3.81 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 7 A 9.23 4.36 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 8 L 8.04 4.57 0.00 1.48 1.47 0.82 0.94 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 9 D 8.34 4.18 0.00 2.70 2.50 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 *14 E 8.28 4.25 0.00 2.01 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 2.13 1.91 0.00 15 L 8.35 4.25 0.00 1.63 1.57 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.27 4.42 0.00 4.01 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 17 E 8.81 3.90 0.00 1.98 2.06 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 2.40 2.37 0.00 18 P 0.00 4.26 0.00 2.09 2.05 0.00 3.47 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 2.07 2.14 0.00 19 T 7.53 3.73 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 0.56 0.00 0.00 20 K 8.10 3.88 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.64 7.81 21 A 7.88 4.02 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 22 Y 8.09 4.12 0.00 3.14 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 23 F 8.99 4.46 0.00 3.14 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 24 A 8.70 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 25 K 8.05 4.10 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 26 C 7.85 4.19 0.00 3.10 3.02 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 27 E 8.41 3.82 0.00 2.13 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 0.00 2.31 2.41 0.00 28 E 7.99 3.96 0.00 1.97 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 2.35 2.63 0.00 29 K 7.39 4.30 0.00 1.88 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.33 7.81 30 L 8.13 4.31 0.00 1.81 1.71 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.38 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 0.00 0.00 0.00 32 L 7.19 4.55 0.00 1.51 1.45 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.82 3.82 1.75 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 -0.22 0.00 0.00 0.81 0.00 0.00 34 P 0.00 4.45 0.00 2.28 2.16 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 35 N 9.77 4.41 0.00 3.14 3.01 0.00 0.00 6.43 7.24 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 36 V 8.13 3.49 1.76 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 1.03 0.00 0.00 0.39 0.00 0.00 37 L 7.78 4.18 0.00 1.81 2.19 1.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 4.41 0.00 1.95 1.92 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.49 7.81 39 A 7.69 4.05 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 40 Y 7.94 3.87 0.00 3.00 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 41 A 7.68 4.27 1.58 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 42 F 8.25 4.33 0.00 3.13 3.14 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 43 D 7.27 4.51 0.00 2.48 2.06 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 44 D 8.82 4.44 0.00 2.67 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 45 K 8.30 3.90 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 46 K 7.90 4.22 0.00 1.80 2.06 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.43 7.81 47 L 8.17 3.98 0.00 2.05 1.77 1.18 0.84 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 48 R 8.01 3.84 0.00 1.87 1.93 0.00 3.32 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 49 A 7.84 4.18 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 50 F 8.16 3.96 0.00 2.34 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 51 T 8.27 3.67 4.28 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 1.42 0.00 0.00 52 D 8.01 4.25 0.00 2.87 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 53 I 7.77 3.59 1.76 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 1.39 1.12 0.78 0.00 0.00 54 Y 7.41 3.18 0.00 2.12 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 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0.00 82 C 8.45 4.58 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.90 4.31 0.00 3.09 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 84 Y 8.13 3.55 0.00 3.09 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 85 C 8.24 4.40 0.00 3.20 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 86 L 8.28 4.18 0.00 1.82 1.75 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.57 3.69 3.81 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 0.90 0.00 0.00 88 A 7.48 2.58 0.62 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 0.00 0.00 89 H 8.38 4.35 0.00 3.18 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.76 3.49 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 0.00 135 K 7.70 4.45 0.00 1.88 1.82 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 136 I 7.38 4.08 1.85 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 1.02 0.00 0.00 137 V 8.94 4.59 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 0.75 0.00 0.00 1.01 0.00 0.00 138 E 8.91 3.95 0.00 2.10 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 2.40 2.47 0.00 139 A 8.14 4.02 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 0.00 140 D 8.26 4.44 0.00 3.03 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 0.00 141 R 8.06 3.84 0.00 2.01 1.97 0.00 3.18 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 142 A 8.34 3.98 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 0.00 143 A 8.09 3.98 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 0.00 144 L 7.67 4.11 0.00 1.75 1.69 -0.20 0.73 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 0.00 145 R 8.14 4.24 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 146 K 8.21 4.06 0.00 1.94 1.90 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.64 7.81 147 A 7.43 4.45 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 0.00 148 G 8.15 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 0.00 0.00 0.00 149 F 7.83 4.55 0.00 3.21 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 0.00 150 S 8.97 4.50 0.00 4.09 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 0.00 151 D 8.51 4.41 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.97 3.95 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 153 D 8.38 4.40 0.00 3.13 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 0.00 154 I 7.91 3.38 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.02 0.65 0.00 0.00 155 W 8.33 4.18 0.00 3.51 3.34 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 0.00 156 D 8.43 4.47 0.00 2.92 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 0.00 157 I 7.97 3.57 1.67 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.85 0.00 0.00 158 A 7.93 4.12 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 0.00 159 S 7.79 3.85 0.00 3.76 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 0.00 160 T 7.80 3.95 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 1.33 0.00 0.00 161 A 8.14 4.07 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 0.00 162 A 8.36 3.94 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 0.00 163 F 8.67 4.13 0.00 2.92 3.14 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 0.00 164 F 8.40 4.06 0.00 3.21 3.13 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 0.00 165 N 7.76 4.71 0.00 2.92 2.80 0.00 0.00 6.79 7.45 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 *167 S 8.01 4.32 0.00 3.75 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 0.00 168 N 8.21 4.36 0.00 2.84 2.93 0.00 0.00 7.09 7.22 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 0.00 169 R 7.49 4.06 0.00 1.98 1.95 0.00 3.34 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 170 V 7.64 3.50 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 0.94 0.00 0.00 0.90 0.00 0.00 171 A 8.15 3.89 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 0.00 172 A 7.92 3.99 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 0.00 173 A 7.96 4.11 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 0.00 174 I 7.58 4.04 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.88 0.00 0.00 175 D 7.36 4.35 0.00 2.83 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 *177 R 8.33 4.47 0.00 2.19 2.05 0.00 3.56 0.00 0.00 3.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 178 P 0.00 4.47 0.00 1.83 1.07 0.00 3.81 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.00 179 N 8.69 4.27 0.00 2.20 2.76 0.00 0.00 6.52 8.08 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 0.00 180 D 8.81 4.49 0.00 2.82 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 0.00 181 E 7.94 3.96 0.00 1.79 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 2.30 2.37 0.00 182 Y 7.36 4.10 0.00 2.83 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 0.00 183 H 7.65 4.28 0.00 3.17 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.20 4.19 1.21 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 0.00 0.00 0.00 *186 A 7.43 4.17 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 0.00 187 R 7.92 4.24 0.00 1.81 1.85 0.00 3.43 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 1.69 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.