NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1931 8.1727 122.0561 56.3076 34.0811 173.9310 2 V 4.6594 8.2367 127.4276 60.8728 32.2421 174.5609 3 F 4.3323 9.5405 128.3396 57.1550 40.2147 175.6864 4 G 3.7889 9.1543 109.3517 46.0439 0.0000 174.7018 5 R 3.2390 8.8324 120.9159 59.6658 30.1526 179.7676 6 C 4.3241 8.0915 115.5368 59.7587 39.0405 175.5840 7 E 3.9084 8.0999 120.7461 59.1138 29.3411 178.4908 8 L 3.4996 8.4022 120.7115 57.7114 42.0156 178.5215 9 A 3.9189 8.0302 120.6887 55.2588 18.3049 179.4881 10 A 3.8894 8.0917 118.7907 55.2036 18.4763 179.7546 11 A 3.9561 7.9746 119.2712 55.6346 18.3995 179.7910 12 M 3.8248 8.3753 117.5904 58.2199 31.9528 178.9260 13 K 3.8542 8.1659 119.9201 59.5317 32.1768 178.8558 14 R 3.8788 7.8119 117.7747 59.3930 30.0172 177.2058 15 H 4.5818 7.7479 113.3932 55.2454 28.7401 175.7259 16 G 3.8722 7.8078 108.5481 46.2708 0.0000 175.3261 17 L 3.5933 7.8540 122.7353 56.4603 41.8132 177.0093 18 D 4.5992 7.9663 118.2395 55.5963 41.3078 175.1835 19 N 4.3817 9.3738 122.6183 54.1710 37.0646 173.2035 20 Y 4.1678 8.5517 121.1379 58.9838 39.1874 176.0715 21 R 3.6854 8.9960 125.4774 57.2301 27.9515 177.2348 22 G 3.7209 8.3158 103.8659 45.6373 0.0000 173.6799 23 Y 4.4203 7.9724 118.9281 55.8095 38.7502 175.7804 24 S 5.1616 8.4958 119.3525 57.3462 64.1372 174.7545 25 L 4.3057 9.5066 124.3008 58.8655 41.5422 179.7554 26 G 3.8929 8.3566 104.8419 47.9269 0.0000 175.1011 27 N 4.4774 8.3754 118.5506 56.1596 38.5108 177.5470 28 W 3.8386 7.8181 119.6743 59.5444 29.1342 178.6673 29 V 3.5627 8.0393 118.2834 66.0324 31.0214 177.1883 30 C 2.5096 8.1373 118.2298 59.0127 40.2595 175.3313 31 A 3.9339 7.9161 122.0305 55.2250 17.9690 179.4286 32 A 4.2045 8.0331 120.8842 54.4274 18.3130 179.5902 33 K 2.4800 7.6405 118.3238 59.3736 31.8343 178.8521 34 F 4.4715 7.1701 115.4695 59.5231 39.0644 177.7453 35 E 4.3024 8.4930 118.8026 58.6724 29.8373 177.7303 36 S 4.5477 7.8846 109.1367 56.5478 64.7132 173.4499 37 N 4.0128 8.9028 118.5509 54.8067 37.6971 173.9694 38 F 4.1055 8.0470 110.4223 57.9293 36.5568 173.7875 39 N 5.3298 7.9274 120.7270 51.9669 39.3887 175.9373 40 T 4.0639 9.2531 117.6990 64.3539 68.9725 175.5753 41 Q 4.3881 8.4387 119.3589 55.5479 29.2874 175.5431 42 A 4.3363 7.9978 122.4538 52.5025 19.3065 177.1210 43 T 5.0549 8.3552 111.1642 60.1925 72.4867 173.1617 44 N 4.9425 8.6756 119.9402 51.9419 43.4324 173.4655 45 R 4.5685 8.5541 124.1985 55.6766 31.3338 175.7914 46 N 4.8222 9.2819 124.2123 52.1403 39.9790 176.4432 47 T 3.9148 8.3346 110.2301 64.7164 68.9221 175.1390 48 D 4.4143 7.9691 119.1321 53.9224 39.7245 176.9735 49 G 3.9046 8.1393 109.4093 45.0359 0.0000 173.7559 50 S 4.5883 8.4252 115.3720 58.2810 65.0356 173.1548 51 T 4.9755 8.9791 115.7283 61.9363 72.9343 172.8564 52 D 5.4583 8.9842 124.3995 53.0141 43.5779 175.1084 53 Y 4.9818 9.0704 120.2333 57.5474 42.0294 176.7771 54 G 4.3930 9.3462 111.5481 45.6390 0.0000 173.5630 55 I 4.0861 8.2382 116.3235 62.7536 38.0395 177.4290 56 L 4.6498 7.9091 117.4052 53.6243 42.4037 176.1293 57 Q 3.6590 8.0393 116.1393 57.1515 26.7126 174.3088 58 I 4.1912 8.0373 118.5581 61.1928 39.1192 176.4252 59 N 5.5170 9.0632 125.6733 52.8476 40.0830 175.6585 60 S 4.6347 9.2356 120.5269 59.9219 63.3583 175.3138 61 R 3.7748 8.5094 122.0730 57.9055 30.4428 178.1617 62 W 4.1455 7.9424 116.8481 56.5945 31.6657 176.6532 63 W 5.2846 8.0958 116.8571 57.1842 31.3096 173.6835 64 C 5.5609 8.1008 112.7464 53.9951 43.8646 172.1711 65 N 4.9177 9.2694 119.3031 52.0065 40.0259 174.7093 66 D 4.6731 8.7540 123.9100 52.3381 40.3735 176.8225 67 G 3.9870 8.6801 107.7330 46.2815 0.0000 174.3618 68 R 4.7311 8.3314 114.9272 56.1777 30.2880 176.0115 69 T 4.4601 7.6361 115.7384 60.8436 68.8875 170.1833 70 P 4.2626 0.0000 0.0000 64.2033 31.9522 177.2173 71 G 3.8642 8.7949 110.5377 45.2208 0.0000 173.7666 72 S 3.9251 7.4730 116.1830 59.0317 63.3948 173.9946 73 R 4.5200 7.6565 121.3680 54.8455 32.8028 176.5322 74 N 5.0185 7.9346 114.3284 52.3390 38.5857 174.6052 75 L 4.1342 8.8802 120.6269 57.3051 42.4087 178.0000 76 C 4.5574 8.4735 114.1465 56.4130 40.9660 172.6362 77 N 4.1221 8.1341 117.8316 54.0460 37.4614 173.4752 78 I 4.6585 8.3949 117.5861 58.4693 42.1581 172.0132 79 P 4.7953 0.0000 0.0000 62.6081 32.0584 178.1151 80 C 4.0111 8.8494 119.6950 59.9486 39.8441 176.4700 81 S 3.8701 7.9822 115.2484 61.6142 62.3067 176.3732 82 A 3.9697 7.9307 123.9203 54.6837 18.1136 178.6921 83 L 4.3930 8.1538 116.1959 55.7123 41.6427 177.8992 84 L 5.5598 7.6192 117.7311 53.5817 41.3831 176.7724 85 S 4.3377 7.5567 113.8267 57.9139 62.8467 175.2879 86 S 4.3051 8.5743 120.1683 60.6685 63.0799 173.8079 87 D 4.6345 7.3874 119.2403 53.4949 41.2284 176.2515 88 I 4.0914 8.3346 119.7388 61.5633 37.7952 177.3997 89 T 3.5931 8.3324 119.4741 67.1847 68.3124 176.0954 90 A 3.9526 7.8806 121.8326 55.1069 18.4353 179.7018 91 S 4.0368 7.8973 113.2987 61.6910 62.9549 176.9210 92 V 3.2652 7.9313 121.2599 65.9862 31.1260 177.8292 93 N 4.1505 8.2486 116.5533 56.3489 38.3000 176.6661 94 C 4.2124 8.3743 119.7906 59.5213 44.0651 175.3171 95 A 4.1120 8.3610 122.8157 55.2792 17.7579 179.7797 96 K 3.6202 7.9035 116.9403 59.3727 31.7655 179.7514 97 K 4.0367 7.5196 117.7499 59.4017 32.2517 179.2116 98 I 2.9810 7.4792 120.3284 64.0082 36.8975 178.7500 99 V 4.0726 8.1985 119.3333 63.9866 31.1636 177.6418 100 S 4.5490 7.9541 115.2556 59.6382 62.7488 174.7569 101 D 4.4072 7.8820 120.5149 54.8065 41.1853 175.2143 102 G 3.6772 6.7684 110.3764 46.4176 0.0000 174.6156 103 N 4.7497 8.3535 115.8893 51.8690 39.9433 175.8434 104 G 4.0240 7.7722 107.6580 46.0336 0.0000 175.7653 105 M 4.1828 8.0255 120.7998 56.2196 31.8488 177.8393 106 N 4.7118 7.8538 116.1049 55.4966 38.9108 175.9368 107 A 3.8233 7.5464 120.7708 54.3885 18.5985 177.8944 108 W 4.5290 8.3327 116.8021 55.3063 29.8467 177.2249 109 V 3.7040 8.5206 124.7037 66.0671 30.9574 177.6164 110 A 4.0098 8.2056 120.2646 54.6516 18.0945 179.4623 111 W 3.9546 8.3305 126.5291 60.6630 30.7314 177.9246 112 R 3.4598 8.1766 117.1963 59.3960 29.6228 177.6332 113 N 4.5424 8.1438 114.1578 54.3248 38.9672 176.0127 114 R 4.4042 8.0281 116.2292 55.3808 32.7341 175.1275 115 C 4.7452 7.6770 113.4292 57.9273 42.5124 174.1962 116 K 3.2006 6.9423 120.1552 57.9527 31.5938 176.7909 117 G 3.8561 8.8983 114.2025 45.5299 0.0000 172.7626 118 T 4.4366 7.3675 109.6092 59.8405 71.2544 175.4726 119 D 4.6946 8.1642 121.0773 53.4941 39.4389 176.6400 120 V 4.1676 7.9249 116.9078 63.4190 32.5389 178.4238 121 Q 4.1009 8.4276 120.2549 58.9225 28.7324 177.5952 122 A 3.8905 7.9202 121.5598 55.2232 18.0266 179.5281 123 W 4.3412 8.1750 116.1993 58.5411 29.4813 177.0239 124 I 4.4932 7.8008 111.1219 60.1260 37.6789 175.1807 125 R 4.1454 7.6940 122.4607 57.6915 30.2354 177.0064 126 G 4.0399 8.8898 112.8757 45.8255 0.0000 174.4311 127 C 4.3963 7.6712 116.9250 56.5967 40.7181 174.0990 128 R 4.0155 8.3888 126.6238 55.8980 28.5968 176.8830 *129 L 4.1530 8.1852 123.6653 54.2328 41.6107 174.9540 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 K 8.17 4.19 0.00 1.76 1.69 0.00 1.33 0.00 0.00 1.16 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.14 7.81 2 V 8.24 4.66 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 0.96 0.00 0.00 0.98 0.00 0.00 3 F 9.54 4.33 0.00 2.83 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 4 G 9.15 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 5 R 8.83 3.24 0.00 2.12 2.02 0.00 3.67 0.00 0.00 3.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 6 C 8.09 4.32 0.00 3.01 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 7 E 8.10 3.91 0.00 2.07 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 0.00 2.71 2.44 0.00 8 L 8.40 3.50 0.00 1.32 1.28 -0.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.03 3.92 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 10 A 8.09 3.89 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 11 A 7.97 3.96 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 12 M 8.38 3.82 0.00 1.83 2.20 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 13 K 8.17 3.85 0.00 1.88 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.81 3.88 0.00 1.95 2.01 0.00 3.25 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 1.49 1.60 0.00 15 H 7.75 4.58 0.00 3.10 3.16 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 L 7.85 3.59 0.00 1.46 0.84 -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.97 4.60 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.37 4.38 0.00 3.04 2.94 0.00 0.00 6.20 7.57 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 20 Y 8.55 4.17 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 21 R 9.00 3.69 0.00 2.29 2.11 0.00 3.31 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.72 0.00 22 G 8.32 3.72 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 0.00 0.00 0.00 23 Y 7.97 4.42 0.00 3.31 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 24 S 8.50 5.16 0.00 4.10 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 25 L 9.51 4.31 0.00 2.03 1.84 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.36 3.89 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 0.00 27 N 8.38 4.48 0.00 2.74 2.53 0.00 0.00 6.98 6.98 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 28 W 7.82 3.84 0.00 3.45 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 29 V 8.04 3.56 2.19 0.00 0.00 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 1.03 0.00 0.00 30 C 8.14 2.51 0.00 2.50 3.08 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 31 A 7.92 3.93 1.10 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 0.00 0.00 32 A 8.03 4.20 1.44 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 0.00 0.00 0.00 33 K 7.64 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.86 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.17 4.47 0.00 3.05 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 35 E 8.49 4.30 0.00 1.96 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 2.62 2.59 0.00 36 S 7.88 4.55 0.00 4.16 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 0.00 37 N 8.90 4.01 0.00 2.74 2.86 0.00 0.00 7.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.05 4.11 0.00 3.36 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 39 N 7.93 5.33 0.00 2.90 2.92 0.00 0.00 6.98 7.21 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 40 T 9.25 4.06 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 1.60 0.00 0.00 41 Q 8.44 4.39 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 42 A 8.00 4.34 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 43 T 8.36 5.05 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 1.31 0.00 0.00 44 N 8.68 4.94 0.00 2.73 2.67 0.00 0.00 6.68 7.20 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 45 R 8.55 4.57 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 46 N 9.28 4.82 0.00 3.00 2.72 0.00 0.00 6.46 6.91 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 47 T 8.33 3.91 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 1.21 0.00 0.00 48 D 7.97 4.41 0.00 2.78 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 49 G 8.14 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 0.00 0.00 0.00 50 S 8.43 4.59 0.00 3.89 3.96 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 51 T 8.98 4.98 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 0.52 0.00 0.00 52 D 8.98 5.46 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 4.98 0.00 3.00 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 54 G 9.35 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 0.00 0.00 0.00 0.00 55 I 8.24 4.09 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.55 0.84 0.00 0.00 56 L 7.91 4.65 0.00 1.76 1.86 0.76 0.65 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 57 Q 8.04 3.66 0.00 2.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 58 I 8.04 4.19 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 1.07 0.00 0.00 59 N 9.06 5.52 0.00 3.00 2.98 0.00 0.00 6.98 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 60 S 9.24 4.63 0.00 3.98 4.30 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 61 R 8.51 3.77 0.00 1.75 1.70 0.00 2.96 0.00 0.00 2.97 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 62 W 7.94 4.15 0.00 2.05 1.74 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 63 W 8.10 5.28 0.00 3.57 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.10 5.56 0.00 3.12 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 65 N 9.27 4.92 0.00 2.78 2.68 0.00 0.00 7.11 8.52 0.00 0.00 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 D 8.75 4.67 0.00 2.81 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 67 G 8.68 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 0.00 0.00 0.00 68 R 8.33 4.73 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 69 T 7.64 4.46 4.17 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 0.00 0.00 1.11 0.00 0.00 70 P 0.00 4.26 0.00 1.98 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 71 G 8.79 3.86 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 0.00 0.00 0.00 72 S 7.47 3.93 0.00 3.97 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.66 4.52 0.00 1.91 1.84 0.00 3.20 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.89 0.00 74 N 7.93 5.02 0.00 2.71 2.62 0.00 0.00 6.90 6.66 0.00 0.00 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 L 8.88 4.13 0.00 1.70 1.87 0.48 0.86 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 76 C 8.47 4.56 0.00 3.32 3.21 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 77 N 8.13 4.12 0.00 2.85 2.84 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.39 4.66 2.05 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 1.35 0.84 0.94 0.00 0.00 79 P 0.00 4.80 0.00 2.19 2.11 0.00 3.74 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 2.03 1.96 0.00 80 C 8.85 4.01 0.00 2.12 1.18 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 81 S 7.98 3.87 0.00 4.02 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 82 A 7.93 3.97 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 L 8.15 4.39 0.00 1.89 1.80 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.62 5.56 0.00 1.76 1.75 1.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.56 4.34 0.00 3.93 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 86 S 8.57 4.31 0.00 3.98 3.98 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 87 D 7.39 4.63 0.00 2.66 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 88 I 8.33 4.09 1.67 0.00 0.00 0.55 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 0.68 0.74 0.00 0.00 89 T 8.33 3.59 4.21 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 1.24 0.00 0.00 90 A 7.88 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 91 S 7.90 4.04 0.00 3.93 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 92 V 7.93 3.27 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 0.66 0.00 0.00 0.64 0.00 0.00 93 N 8.25 4.15 0.00 2.72 2.79 0.00 0.00 6.71 8.10 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 94 C 8.37 4.21 0.00 3.08 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 95 A 8.36 4.11 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 96 K 7.90 3.62 0.00 1.69 1.43 0.00 1.26 0.00 0.00 0.99 0.00 0.00 2.41 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.91 7.81 97 K 7.52 4.04 0.00 1.77 1.95 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.64 7.81 98 I 7.48 2.98 1.57 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.12 0.00 0.00 99 V 8.20 4.07 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 1.36 0.00 0.00 0.92 0.00 0.00 100 S 7.95 4.55 0.00 4.08 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 0.00 101 D 7.88 4.41 0.00 3.01 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 0.00 102 G 6.77 3.68 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 0.00 0.00 0.00 103 N 8.35 4.75 0.00 2.75 2.86 0.00 0.00 7.02 7.70 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 0.00 104 G 7.77 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 0.00 0.00 0.00 105 M 8.03 4.18 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.89 0.00 106 N 7.85 4.71 0.00 2.95 3.03 0.00 0.00 6.87 8.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.55 3.82 0.69 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 0.00 0.00 108 W 8.33 4.53 0.00 3.67 3.30 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 0.00 109 V 8.52 3.70 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 1.16 0.00 0.00 0.98 0.00 0.00 110 A 8.21 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.33 3.95 0.00 3.35 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.46 0.00 2.09 2.17 0.00 3.36 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 113 N 8.14 4.54 0.00 2.73 2.76 0.00 0.00 6.86 7.35 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 0.00 114 R 8.03 4.40 0.00 1.51 1.06 0.00 2.84 0.00 0.00 2.80 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.39 0.00 115 C 7.68 4.75 0.00 2.42 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 0.00 116 K 6.94 3.20 0.00 0.79 1.24 0.00 1.56 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.20 1.04 7.81 117 G 8.90 3.86 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 0.00 0.00 0.00 118 T 7.37 4.44 4.30 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 1.22 0.00 0.00 119 D 8.16 4.69 0.00 2.79 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 0.00 120 V 7.92 4.17 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 0.81 0.00 0.00 1.08 0.00 0.00 121 Q 8.43 4.10 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 122 A 7.92 3.89 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 0.00 123 W 8.17 4.34 0.00 3.57 3.38 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 0.00 124 I 7.80 4.49 1.94 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 1.37 0.84 1.03 0.00 0.00 125 R 7.69 4.15 0.00 1.94 1.93 0.00 3.29 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 126 G 8.89 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 0.00 0.00 0.00 127 C 7.67 4.40 0.00 3.10 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 0.00 128 R 8.39 4.02 0.00 1.77 1.88 0.00 3.27 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 *129 L 8.19 4.15 0.00 1.45 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.