NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9613 8.5298 117.5859 55.4566 32.5660 174.2171 2 Q 4.2846 8.5517 116.9831 52.0132 31.8538 173.5019 3 D 4.6935 8.4334 121.5041 51.8465 43.8581 177.9651 4 A 3.7637 8.0771 120.5815 55.3473 18.0715 179.8800 5 I 3.4513 7.0275 117.7230 64.9507 37.2519 178.6721 6 T 3.8354 8.6239 116.5949 66.3932 68.3416 176.6308 7 A 4.0729 8.0382 123.0008 55.0740 18.2926 179.9326 8 V 3.6112 7.3043 117.6645 65.6952 31.5938 178.0659 9 I 3.6478 7.5336 119.4875 64.8059 36.9889 178.1616 10 N 4.3347 8.5059 117.6305 56.2163 38.0286 177.7050 11 S 4.1719 7.9411 115.5112 61.3552 63.1596 176.8496 12 S 3.9961 8.2897 118.9462 61.3414 62.5364 175.9141 13 D 4.2737 8.3073 121.0782 57.5341 40.7538 178.6048 14 V 3.6007 7.6727 116.9558 65.4174 31.5219 177.0055 15 Q 4.4055 7.4601 115.4667 55.1811 29.0734 176.4009 16 G 3.8711 7.9830 108.0633 45.9732 0.0000 173.5312 17 K 4.6167 7.7640 117.9819 54.5521 33.8288 176.2733 18 Y 4.1831 8.4389 119.0088 57.0167 38.7108 175.5938 19 L 3.9845 8.4920 121.8078 55.3066 41.8221 177.9564 20 D 4.7818 8.4513 124.5657 52.2145 42.5212 177.0670 21 T 3.8360 8.4003 114.9160 66.9394 68.3608 176.2373 22 A 3.9695 8.1494 121.6604 55.3571 18.3636 179.4385 23 A 3.9459 8.5225 119.1535 55.3075 18.4586 179.8973 24 L 4.0352 8.3840 117.9218 57.8431 41.5573 179.7025 25 E 4.0029 8.4850 118.9358 59.2874 29.3136 179.2669 26 K 3.9112 7.9945 118.4929 59.4772 32.0822 179.4320 27 L 3.7314 7.9149 119.1083 57.6881 41.5901 179.6043 28 K 4.2030 8.2043 118.4472 59.6510 31.7287 179.5295 29 S 4.1508 8.0642 114.7200 61.6555 63.0483 175.8882 30 Y 4.1029 7.6564 122.2151 60.7994 38.2376 177.8898 31 F 4.5317 7.9185 118.9637 60.6949 38.8272 177.4464 32 S 4.4377 8.1847 112.1873 60.0079 63.3523 175.2703 33 T 4.5044 7.6354 112.5774 61.1844 69.2919 175.9955 34 G 3.4987 7.3913 108.6927 48.3336 0.0000 175.1651 35 E 3.9477 8.1455 121.8041 58.8843 29.6501 178.8247 36 L 4.0168 7.7908 118.4128 57.7572 41.7264 179.5388 37 R 3.9586 7.9910 118.2224 59.0808 29.9342 179.2306 38 V 3.5715 7.8761 118.1363 65.8535 31.5500 177.9665 39 R 3.8436 8.1399 118.2469 59.4760 29.8977 178.3189 40 A 4.0001 7.8840 119.7384 55.1677 18.3403 179.4825 41 A 3.9655 8.0557 119.3074 55.4386 18.3091 179.9199 42 T 3.8001 8.0996 114.3508 67.1474 68.3469 176.9234 43 T 3.8626 7.7298 115.9709 66.7234 68.7967 176.4152 44 I 3.8534 8.1804 121.8616 64.4763 36.9267 178.3586 45 A 3.9795 8.0051 120.1648 55.0337 18.2812 179.1464 46 A 4.2152 7.7422 117.4665 53.9042 18.7036 177.8336 47 N 4.9201 7.8972 113.1936 52.2845 40.6353 175.8707 48 A 3.9803 8.4353 122.4102 55.6852 18.1426 180.3486 49 A 3.9832 7.9973 118.1514 55.0420 18.4841 179.5543 50 A 3.9403 7.9296 118.9221 55.3144 18.5713 179.6313 51 I 3.6419 8.1428 118.7534 64.6256 37.1407 178.8589 52 V 3.6094 7.6725 118.4717 65.7193 31.3718 177.8190 53 K 3.9117 8.3351 119.6842 59.7029 32.0553 178.3775 54 E 3.9532 8.3992 119.3012 59.0783 29.5286 178.5462 55 A 3.9481 8.1348 120.9074 55.1788 18.4534 179.7923 56 V 3.4910 8.1372 116.8286 66.0815 31.3783 178.0646 57 A 4.1172 7.9347 119.4429 55.2258 18.2980 179.4687 58 K 4.1693 8.2414 116.3306 58.3990 32.5476 178.6993 59 S 4.7000 8.3355 112.8358 58.0545 64.3269 175.6227 60 L 4.4554 8.1237 121.0030 55.6708 43.7801 177.3681 61 L 3.9815 7.8086 116.5025 55.9889 42.1624 175.8414 62 Y 3.6613 8.0282 116.2652 59.0981 35.3882 169.4273 63 S 4.7928 7.6520 111.6696 56.4271 67.0017 174.2981 64 D 4.4346 8.7402 119.0347 57.5576 40.6644 179.4540 65 I 3.7397 7.4554 118.9870 63.9986 37.0876 177.0332 66 T 4.4108 7.7584 108.0813 62.0036 69.6758 175.1524 67 R 4.2946 7.6124 121.6394 54.1506 31.3472 173.6978 68 P 2.9700 0.0000 0.0000 64.2750 31.3626 177.0094 69 G 4.0645 8.9458 111.4875 45.2070 0.0000 174.3017 70 G 4.5699 7.8211 114.2188 45.0859 0.0000 175.3571 *72 M 4.3053 8.5878 125.4320 54.7585 33.4227 174.3899 73 Y 4.4590 7.6701 117.9057 58.3542 40.0675 174.2791 74 T 3.0425 7.2207 114.9305 62.1441 69.1352 173.0649 75 T 3.8256 8.1515 114.5097 64.6837 68.7283 176.6826 76 R 3.8471 7.8218 121.2492 59.5618 30.2274 178.5425 77 R 4.0550 7.9710 117.5401 58.8496 30.0441 178.3870 78 Y 3.9037 8.0411 119.4713 60.5801 38.8203 177.8641 79 A 4.1058 8.4238 121.6224 55.0180 18.5050 179.3600 80 A 3.9451 7.8862 118.8492 55.4285 18.4810 179.4090 81 C 4.0264 8.1424 117.2733 62.7083 31.6614 175.9478 82 I 3.7985 7.8601 114.4960 63.6774 37.0857 178.1482 83 R 3.9704 8.1902 120.9695 59.3952 29.8745 178.1346 84 D 4.2040 8.2150 118.7000 57.3104 40.7569 178.6656 85 L 4.2951 8.0139 119.3908 58.1323 41.6630 179.2367 86 D 4.3851 8.4083 118.8242 57.7182 40.6580 178.6877 87 Y 3.8173 8.1202 117.0184 61.1793 37.8144 178.0531 88 Y 4.5541 8.2235 118.1126 61.1527 38.0228 178.4866 89 L 4.1655 8.4685 121.4785 58.2554 42.2306 179.0360 90 R 3.4707 7.8958 118.6197 59.5267 29.8791 178.1504 91 Y 3.9245 8.1921 116.5806 60.8138 37.7746 178.1648 92 A 3.9489 8.3195 122.0042 55.3477 18.3076 179.8505 93 T 3.7018 7.6592 114.2326 66.8208 68.4888 176.4467 94 Y 4.2510 7.5938 118.3812 61.1954 37.8818 178.5928 95 A 3.8469 8.2550 121.9334 55.1387 18.1204 179.3173 96 M 3.5601 7.5878 115.8681 58.6315 32.4328 178.0604 97 L 4.1437 7.8866 117.7138 57.9715 42.1292 179.3550 98 A 4.1586 8.5652 120.8013 52.7210 17.9634 178.3161 99 G 4.1867 8.3505 104.8130 46.0435 0.0000 173.0293 100 D 4.6096 7.5098 116.6129 52.2568 44.1045 173.2374 101 P 4.3079 0.0000 0.0000 63.3775 32.2321 177.8619 102 S 4.0638 8.5212 116.1928 62.0802 62.5369 176.3157 103 I 3.6369 7.7925 121.4295 63.6488 37.5804 177.6376 104 L 4.0978 8.1747 120.4058 57.6622 41.4917 179.0300 105 D 4.4581 7.9842 118.4705 57.3603 41.0002 178.5506 106 E 4.0122 8.5773 119.3149 58.7844 29.4221 178.6007 107 R 4.5054 8.0841 114.3935 56.0556 30.9612 175.8471 108 V 4.0377 7.3189 115.3971 64.3229 33.9415 176.6397 109 L 4.0102 8.7348 119.8654 56.9890 41.7473 175.8990 110 N 4.6555 7.2050 116.9756 54.4937 37.4526 174.3036 111 G 3.8968 8.6086 110.3623 45.6863 0.0000 173.0346 112 L 3.6695 7.8651 122.5830 57.8761 41.9956 178.7177 113 K 3.8178 7.9655 119.0747 59.6753 31.9208 178.3668 114 E 3.9582 8.0255 118.1289 59.6424 29.5356 179.0891 115 T 3.8901 7.7189 115.3524 66.9374 68.4800 176.1095 116 Y 4.3677 8.2697 118.6358 61.4506 37.7062 178.6762 117 N 4.3988 8.6088 117.7798 56.3369 38.4196 177.7124 118 S 4.1624 8.1931 114.9492 61.3881 63.1861 176.1944 119 L 4.2439 8.0642 121.5775 55.2740 41.4460 177.7794 120 G 3.7929 7.5810 106.1344 45.7640 0.0000 173.3207 121 V 3.5290 7.7327 120.4197 60.8898 31.9761 174.3459 122 P 4.2613 0.0000 0.0000 63.3053 31.7663 177.0940 123 I 3.8793 8.3333 125.1477 63.9977 37.2026 178.2876 124 S 4.0446 8.0485 113.5787 61.3672 62.3443 175.9562 125 A 4.0228 7.9135 122.9950 55.3050 18.1915 179.5891 126 T 3.8459 7.8149 113.9257 66.7502 68.4686 176.9975 127 V 3.5558 8.0316 120.3220 66.1538 31.4788 177.9857 128 Q 3.9480 8.1906 117.4914 59.0371 28.5616 178.8773 129 A 4.2894 8.0018 123.0349 54.6840 18.4051 179.8113 130 I 3.7080 7.9139 118.4378 64.3417 37.1061 178.6349 131 Q 3.8750 8.3739 119.1834 58.8250 28.4969 178.6739 132 A 3.9251 8.1075 121.8568 55.4890 18.4082 179.5166 133 M 3.8326 7.8198 117.1232 58.2917 31.9305 178.8414 134 K 3.1984 7.3211 119.6675 59.1096 32.1549 178.5347 135 E 3.8369 7.7150 119.0788 59.3069 29.4162 178.9216 136 V 3.5882 7.6078 116.9958 66.2714 31.8777 177.8042 137 T 4.0535 8.3687 115.6894 66.6484 68.2126 176.4332 138 A 4.1050 8.0456 122.9255 55.1585 18.1950 179.3241 139 S 4.3164 7.8396 110.3216 60.1093 63.2495 175.4279 140 L 4.4936 7.7525 121.9410 56.0858 42.8416 178.0326 141 V 4.1269 7.8041 109.0471 60.3215 32.4705 176.9575 142 G 4.0755 7.5660 104.5617 44.7334 0.0000 172.9008 143 P 4.2391 0.0000 0.0000 65.7112 31.2664 178.7860 144 D 4.2841 8.0505 116.5582 57.5558 40.8553 178.7024 145 A 4.1994 8.0790 120.7461 55.0033 18.4212 179.7277 146 G 3.6004 8.4668 104.8172 47.8423 0.0000 176.2174 147 K 4.0767 8.0258 120.8191 59.0795 31.9435 179.1115 148 E 3.9234 8.2533 119.6551 59.6372 29.6560 178.7721 149 M 4.2187 8.5300 119.1729 58.4208 31.9472 178.8290 150 G 3.9396 8.2838 105.8975 47.9540 0.0000 175.7152 151 V 3.4488 7.4723 119.8975 66.1481 31.5427 177.7312 152 Y 4.2909 6.9886 115.7205 60.5576 37.7640 178.0674 153 F 4.3663 8.2357 118.9753 60.7850 39.0188 177.3836 154 D 4.4279 8.5400 118.7438 57.3962 40.6674 178.0821 155 Y 3.9172 8.1010 120.0674 60.8033 38.6496 178.3651 156 I 3.7415 7.8651 120.1997 64.7258 37.3760 178.0894 157 C 4.0384 8.0816 117.3905 63.1251 27.7376 176.5012 158 S 4.1848 8.2543 116.0414 61.4822 62.4443 176.7813 159 G 3.5966 7.6918 107.0936 47.0966 0.0000 175.2426 160 L 4.2465 7.2973 120.3258 56.9614 41.9581 177.5149 161 S 4.4435 7.7860 118.6775 58.7173 63.0264 173.8452 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 8.53 4.96 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 2 Q 8.55 4.28 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 3 D 8.43 4.69 0.00 2.85 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 4 A 8.08 3.76 0.89 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 5 I 7.03 3.45 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.90 0.00 0.00 6 T 8.62 3.84 4.16 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 1.21 0.00 0.00 7 A 8.04 4.07 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 8 V 7.30 3.61 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 1.38 0.00 0.00 0.92 0.00 0.00 9 I 7.53 3.65 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.87 0.00 0.00 10 N 8.51 4.33 0.00 2.86 2.84 0.00 0.00 6.82 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 11 S 7.94 4.17 0.00 4.08 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 12 S 8.29 4.00 0.00 4.02 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 13 D 8.31 4.27 0.00 2.80 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 14 V 7.67 3.60 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 0.88 0.00 0.00 0.96 0.00 0.00 15 Q 7.46 4.41 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.12 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 16 G 7.98 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 0.00 0.00 0.00 17 K 7.76 4.62 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 18 Y 8.44 4.18 0.00 2.90 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 19 L 8.49 3.98 0.00 1.70 1.68 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.45 4.78 0.00 2.96 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 21 T 8.40 3.84 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 22 A 8.15 3.97 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 23 A 8.52 3.95 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 24 L 8.38 4.04 0.00 1.85 1.78 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.49 4.00 0.00 2.12 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 2.53 2.50 0.00 26 K 7.99 3.91 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 L 7.91 3.73 0.00 1.84 1.50 0.95 0.67 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 28 K 8.20 4.20 0.00 1.99 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.80 7.81 29 S 8.06 4.15 0.00 4.01 3.95 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 30 Y 7.66 4.10 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 31 F 7.92 4.53 0.00 3.31 2.98 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 32 S 8.18 4.44 0.00 4.06 4.03 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 33 T 7.64 4.50 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 1.22 0.00 0.00 34 G 7.39 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 35 E 8.15 3.95 0.00 1.99 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 2.37 2.35 0.00 36 L 7.79 4.02 0.00 1.85 1.69 0.91 0.97 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 37 R 7.99 3.96 0.00 1.97 1.97 0.00 2.91 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 38 V 7.88 3.57 2.23 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 1.07 0.00 0.00 0.96 0.00 0.00 39 R 8.14 3.84 0.00 2.09 2.09 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 40 A 7.88 4.00 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 41 A 8.06 3.97 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 42 T 8.10 3.80 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 43 T 7.73 3.86 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 1.28 0.00 0.00 44 I 8.18 3.85 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.93 0.00 0.00 45 A 8.01 3.98 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 46 A 7.74 4.22 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 47 N 7.90 4.92 0.00 2.82 2.78 0.00 0.00 6.68 8.03 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 48 A 8.44 3.98 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 49 A 8.00 3.98 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 50 A 7.93 3.94 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 51 I 8.14 3.64 2.05 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 1.44 1.00 0.94 0.00 0.00 52 V 7.67 3.61 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 1.12 0.00 0.00 1.08 0.00 0.00 53 K 8.34 3.91 0.00 1.94 1.97 0.00 1.72 0.00 0.00 1.60 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 0.00 130 I 7.91 3.71 1.92 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 1.00 0.00 0.00 131 Q 8.37 3.87 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 132 A 8.11 3.93 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 0.00 133 M 7.82 3.83 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 134 K 7.32 3.20 0.00 1.36 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 135 E 7.72 3.84 0.00 1.97 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 2.43 0.00 136 V 7.61 3.59 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 0.93 0.00 0.00 0.96 0.00 0.00 137 T 8.37 4.05 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 1.40 0.00 0.00 138 A 8.05 4.10 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 0.00 139 S 7.84 4.32 0.00 4.01 4.01 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 L 7.75 4.49 0.00 1.82 1.76 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.80 4.13 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 0.81 0.00 0.00 1.07 0.00 0.00 142 G 7.57 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.24 0.00 2.18 2.13 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 144 D 8.05 4.28 0.00 2.70 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 0.00 145 A 8.08 4.20 1.35 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 0.00 0.00 146 G 8.47 3.60 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 0.00 0.00 0.00 147 K 8.03 4.08 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 148 E 8.25 3.92 0.00 2.15 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 0.00 2.43 2.65 0.00 149 M 8.53 4.22 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 150 G 8.28 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 0.00 151 V 7.47 3.45 1.57 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 0.47 0.00 0.00 0.85 0.00 0.00 152 Y 6.99 4.29 0.00 3.12 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 0.00 153 F 8.24 4.37 0.00 3.28 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 0.00 154 D 8.54 4.43 0.00 2.92 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 0.00 155 Y 8.10 3.92 0.00 3.31 3.20 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 0.00 156 I 7.87 3.74 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.64 0.00 0.00 157 C 8.08 4.04 0.00 3.13 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 0.00 158 S 8.25 4.18 0.00 3.69 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 0.00 159 G 7.69 3.60 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 0.00 0.00 0.00 160 L 7.30 4.25 0.00 1.72 1.75 0.88 1.00 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 S 7.79 4.44 0.00 3.85 3.75 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 * Residues marked with a * may have inaccurate shift predictions.