NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1227 8.1633 120.7316 55.3082 34.1313 173.8766 2 R 4.9704 9.0042 118.2784 52.9818 34.5885 169.3795 3 V 4.9948 8.8114 122.7653 59.9451 35.6642 174.0444 4 V 4.9281 8.7053 123.7505 61.4329 33.6287 174.1049 5 I 5.0022 9.2183 129.4793 59.7014 39.7776 174.5827 6 Q 5.0308 8.8587 125.4664 53.8617 32.0987 174.8159 7 R 4.3630 8.5825 125.5096 56.3448 31.3180 175.6793 8 V 4.9817 9.0132 118.8313 59.7233 35.7718 176.5983 9 K 4.1127 9.2239 122.7882 58.3105 32.7909 177.2400 10 G 4.4983 7.7582 105.8438 45.7458 0.0000 171.9628 11 A 5.7812 8.2571 120.5885 51.4722 23.3236 175.5595 12 I 4.8839 8.3660 121.6389 59.3297 41.2309 173.9488 13 L 5.0860 9.2441 129.3509 53.4314 44.4318 175.4155 14 S 5.5250 8.9751 123.5918 57.8439 66.7327 175.3803 15 V 4.6663 8.5392 117.5903 62.4919 36.4128 173.9930 *28 E 4.0657 8.1615 114.5258 56.0553 30.5996 181.1248 29 I 4.4110 8.2601 125.4177 61.4345 37.6461 176.1559 30 I 4.6686 8.1849 111.4556 61.1570 41.4029 174.8393 31 S 4.5524 7.8865 115.0171 57.6596 65.5656 173.5549 32 E 5.2992 8.7386 127.0919 54.9573 32.6525 173.8104 33 I 4.9526 9.0042 121.0797 58.0590 41.6354 175.6679 34 K 4.9786 8.6713 130.8183 54.0127 30.6345 178.5121 35 N 4.7585 8.5654 115.9301 54.7334 39.4401 175.2010 36 G 4.6923 7.1012 106.7826 46.2180 0.0000 171.4440 37 L 5.3383 8.3013 120.8336 52.9877 45.6201 175.2993 38 I 4.6478 8.6528 122.1146 59.4086 40.6223 173.8981 39 C 5.1126 8.9921 127.4548 57.9852 30.7726 173.3302 40 F 4.8551 9.0953 124.6902 56.7668 39.6881 174.6332 41 L 4.9965 9.4192 127.9121 53.3481 44.0580 175.2490 42 G 4.3006 9.6913 117.1687 46.0153 0.0000 172.8069 43 I 4.9722 8.6652 127.5114 59.6852 37.0038 171.7048 44 H 3.9760 9.6372 128.4164 53.7397 30.7915 176.0120 45 K 3.7883 7.7977 125.5455 60.2433 32.1768 177.6894 46 N 4.7974 8.2407 114.6499 53.0380 38.6973 174.6752 47 D 4.7026 7.8475 119.1830 54.3605 41.4883 176.4959 48 T 4.6559 8.9957 114.1528 59.7624 71.1346 175.4664 49 W 4.6520 8.9511 132.8767 60.6034 30.6507 178.4000 50 E 3.9970 8.6750 118.9880 61.0968 29.2108 183.9342 51 D 4.5541 7.9154 119.4920 57.3586 40.8955 178.6852 52 A 3.8444 7.9868 120.4546 55.1488 18.2804 179.1930 53 L 3.4194 7.0607 117.2355 58.0279 41.7017 179.1140 54 Y 3.9024 7.7908 119.0255 61.0277 38.6272 177.8968 55 I 3.6065 7.6263 119.9005 64.7153 37.3784 178.1369 56 I 2.7405 7.8973 122.8366 65.3900 36.8456 178.9449 57 R 3.7939 8.1328 121.7190 61.2319 29.0777 181.8926 58 K 4.0052 8.4065 119.2350 59.7076 31.8136 178.8498 59 C 4.3698 8.6966 117.5672 62.6389 28.2436 175.6172 60 L 4.2181 8.1277 121.3674 56.6915 41.4319 177.6307 61 N 4.9383 7.8886 113.6645 52.3362 40.4629 174.0165 62 L 4.1465 7.8624 123.1603 54.5661 42.2584 177.0514 63 R 4.6263 8.5963 122.8179 55.8420 28.7528 172.6446 64 L 5.1676 8.8090 122.1695 53.1090 43.7139 176.4525 65 W 4.5979 8.1742 119.1121 55.0289 31.5494 174.1537 66 N 5.0298 8.3791 116.5170 51.4569 40.5438 174.5468 *70 K 4.0614 8.2324 117.7299 56.7118 33.0791 175.9742 71 T 4.4578 8.3490 113.3026 60.5446 71.2238 174.0953 72 W 3.7169 7.9755 121.2977 58.2086 25.8590 171.9565 73 D 4.8136 8.3904 115.5689 54.3887 44.3276 175.1262 74 K 5.0967 8.0241 115.4042 54.5202 32.9835 176.8961 75 N 5.1586 8.9533 121.1150 51.1002 38.8063 176.2773 76 V 3.3397 8.7777 120.9541 65.3418 31.0256 179.1555 77 K 3.3401 7.8705 123.6460 59.5778 31.5664 180.9896 78 D 4.5645 8.2228 120.7135 57.1406 40.5295 178.7861 79 L 3.8087 6.7644 114.9162 53.8715 41.3404 176.2843 80 N 4.3407 7.6946 115.0329 53.9568 37.6875 173.8017 81 Y 4.9143 7.7581 113.6342 57.0944 39.6704 174.7180 82 E 4.9226 8.7005 119.3263 55.2718 32.4196 175.4819 83 L 5.1714 8.6295 120.6722 52.9065 45.7661 175.3837 84 L 5.0071 8.6797 124.2995 53.4323 44.8013 174.8954 85 I 4.7587 8.7062 128.0826 59.6314 39.5466 174.8953 86 V 4.6616 8.5098 126.8815 60.6837 34.3711 174.5575 87 S 4.6239 8.5354 123.3369 58.6340 63.1146 173.4780 88 Q 4.4206 9.8422 129.4040 54.6348 30.8129 174.9836 89 F 4.7105 8.9172 122.1035 58.5624 38.7980 177.8080 90 T 4.0243 6.8530 111.4803 63.5838 68.9597 176.1726 91 L 3.8454 7.9412 122.1130 58.0474 41.5500 178.0195 92 F 4.6470 8.1348 113.9390 57.5946 39.1183 175.7565 93 G 3.2939 8.4118 111.5668 45.8034 0.0000 172.8970 94 N 4.6378 9.7302 125.2525 53.1699 39.8149 175.4184 95 T 4.5671 8.1413 118.7883 63.0319 70.6757 175.8722 96 K 4.0578 8.4345 122.7133 59.0003 33.8362 177.8656 97 K 4.2761 7.6497 118.5244 54.5559 29.7634 185.0000 98 G 3.9582 8.9382 109.9325 46.2483 0.0000 172.9502 99 N 4.7456 8.6707 117.4821 53.4790 38.4892 175.8181 100 K 4.6165 7.5563 119.1138 51.8657 34.6638 178.1437 101 P 4.6885 0.0000 0.0000 61.9212 31.8982 175.2170 102 D 4.0973 7.2861 114.1403 54.4465 43.5495 176.2323 103 F 5.2787 8.2297 129.4424 57.3401 39.5791 177.5456 104 H 4.0239 7.8616 122.3545 59.6189 30.2200 176.2005 105 L 3.9094 7.9402 115.4152 55.1782 41.1259 175.9654 106 A 4.2312 7.5955 122.2784 51.2425 18.6662 177.8400 107 K 3.6474 8.1597 124.5355 57.6666 32.8471 175.8582 108 E 3.5488 8.8299 127.1618 55.9191 30.3789 175.2679 109 P 4.2750 0.0000 0.0000 66.2613 31.2789 177.9433 110 N 4.2115 8.3851 113.9951 56.8245 38.6114 177.2445 111 E 3.9156 8.1211 118.8206 59.2423 29.5542 178.9215 112 A 4.1646 8.2339 121.1938 55.4082 18.3539 179.1352 113 L 3.0268 8.4394 119.2168 58.2633 41.8549 179.4196 114 I 3.6976 7.3174 118.8371 64.3535 37.0751 177.8010 115 F 4.2083 8.3039 121.6281 61.8133 39.1187 176.3934 116 Y 4.2497 9.0592 118.9781 61.1859 38.6719 177.8006 117 N 4.3732 8.9460 119.9966 56.9512 38.6567 178.1523 118 K 3.9517 8.4821 125.3108 59.7831 31.7072 181.2793 119 I 3.9193 7.9078 121.4900 64.5294 37.2226 178.4444 120 I 3.8127 7.6962 120.3234 64.5580 36.8140 178.2340 121 D 4.3636 8.2986 119.5516 57.3505 40.7464 178.1290 122 E 3.9809 8.3400 119.7229 59.5554 29.5708 178.5854 123 F 4.0342 8.4320 117.9005 60.9301 38.8386 178.0543 124 K 4.1729 8.0623 118.2417 59.9656 31.8938 179.8270 125 K 4.1032 8.0960 123.0881 60.2091 31.7205 180.6094 126 Q 4.3744 8.5799 118.7286 56.3453 29.0769 177.9903 127 Y 4.8098 9.1333 115.9903 56.5329 39.1383 177.4698 128 N 4.8773 8.5647 116.7880 52.0821 42.3379 174.0329 129 D 4.3546 8.9216 124.1169 56.3729 39.7826 175.0311 130 D 4.5975 8.8611 116.1093 54.8730 41.7309 176.5089 131 K 4.3095 7.7712 117.1648 57.2917 34.0002 175.9619 132 I 4.5764 7.5607 121.0327 59.9970 38.2771 175.3799 133 K 4.8568 8.8046 125.7398 54.6486 36.2591 175.1385 134 I 5.2774 7.5976 114.4617 58.9421 41.3122 173.2777 135 G 3.9981 8.6570 113.0550 44.7642 0.0000 173.5446 136 K 4.3885 8.2462 121.7795 52.4380 31.5038 171.0635 137 F 3.7508 8.8130 126.4520 58.8799 39.4806 176.0732 138 G 3.9277 7.9140 113.7021 46.1151 0.0000 173.2014 139 N 4.7634 7.7581 116.7493 51.9222 39.7944 174.3142 140 Y 4.0627 8.5305 122.2059 57.9872 39.2225 174.9128 141 M 4.9931 7.6355 125.6571 52.7077 35.8577 174.8668 142 N 4.7211 8.3495 117.1898 52.2816 42.1313 172.7194 143 I 4.8879 8.4107 127.2843 59.7259 39.7537 175.3665 144 D 4.7026 9.2432 128.7057 53.1272 41.4300 175.3604 145 V 4.6046 8.2268 123.4873 61.7026 33.5068 175.6800 146 T 4.4925 8.5757 124.7164 61.6411 69.4606 172.7856 147 N 4.7543 8.6210 123.8054 53.3350 39.3712 175.2587 148 D 4.2693 10.1648 125.3333 51.1580 39.7554 176.0242 149 G 4.4037 8.1907 116.7551 45.2972 0.0000 169.4578 150 P 4.4028 0.0000 0.0000 61.0606 33.0924 176.1019 151 V 4.4302 8.0817 118.3737 61.7114 34.2432 174.0353 152 T 5.2399 8.6866 124.5328 61.8221 71.0899 173.6252 153 I 4.5909 8.9200 127.2889 59.5391 40.3881 173.8217 154 Y 5.2999 8.7326 127.5344 55.9554 41.1348 174.6974 155 I 4.3947 7.8140 125.5016 59.7238 42.0172 173.9783 156 D 5.0210 8.2782 124.5468 52.1032 41.8984 175.3810 157 T 3.7444 8.7766 114.7392 63.2712 69.3072 175.1745 158 H 4.5646 8.0145 119.2473 56.3919 28.4338 175.0869 159 D 4.5544 7.9399 124.9676 54.4995 41.1076 176.2686 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 8.16 5.12 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.00 4.97 0.00 1.27 1.63 0.00 2.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 3 V 8.81 4.99 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 0.74 0.00 0.00 1.05 0.00 0.00 4 V 8.71 4.93 2.26 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 1.06 0.00 0.00 1.08 0.00 0.00 5 I 9.22 5.00 1.90 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 1.27 0.70 0.93 0.00 0.00 6 Q 8.86 5.03 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 7 R 8.58 4.36 0.00 1.62 1.59 0.00 2.21 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 8 V 9.01 4.98 2.33 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 0.77 0.00 0.00 1.00 0.00 0.00 9 K 9.22 4.11 0.00 1.61 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 G 7.76 4.50 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 11 A 8.26 5.78 1.17 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 0.00 0.00 0.00 12 I 8.37 4.88 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 1.22 0.73 0.91 0.00 0.00 13 L 9.24 5.09 0.00 1.61 1.58 0.93 0.74 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 14 S 8.98 5.53 0.00 3.82 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 15 V 8.54 4.67 2.08 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 0.63 0.00 0.00 0.93 0.00 0.00 *28 E 8.16 4.07 0.00 1.91 1.93 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 2.21 1.91 0.00 29 I 8.26 4.41 1.88 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 1.48 0.95 0.99 0.00 0.00 30 I 8.18 4.67 1.89 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 1.29 0.46 0.99 0.00 0.00 31 S 7.89 4.55 0.00 3.90 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 32 E 8.74 5.30 0.00 1.96 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 2.18 2.29 0.00 33 I 9.00 4.95 1.85 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 1.05 1.60 0.92 0.00 0.00 34 K 8.67 4.98 0.00 1.74 1.41 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.27 7.81 35 N 8.57 4.76 0.00 1.44 1.72 0.00 0.00 6.72 7.64 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 36 G 7.10 4.69 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 0.00 37 L 8.30 5.34 0.00 1.68 1.61 1.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.65 4.65 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.20 0.88 0.00 0.00 39 C 8.99 5.11 0.00 2.74 2.83 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 0.00 0.00 0.00 40 F 9.10 4.86 0.00 2.99 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 41 L 9.42 5.00 0.00 1.89 1.80 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.69 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 0.00 0.00 0.00 43 I 8.67 4.97 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 1.23 0.72 0.91 0.00 0.00 44 H 9.64 3.98 0.00 3.16 3.35 0.00 5.57 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.80 3.79 0.00 1.83 1.78 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.40 7.81 46 N 8.24 4.80 0.00 2.72 2.86 0.00 0.00 6.93 8.06 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 47 D 7.85 4.70 0.00 2.66 2.33 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 48 T 9.00 4.66 4.34 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 1.28 0.00 0.00 49 W 8.95 4.65 0.00 3.57 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 50 E 8.68 4.00 0.00 2.01 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 2.24 2.22 0.00 51 D 7.92 4.55 0.00 3.03 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 52 A 7.99 3.84 0.45 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 53 L 7.06 3.42 0.00 1.64 1.57 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.79 3.90 0.00 3.03 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 55 I 7.63 3.61 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.09 1.02 0.00 0.00 56 I 7.90 2.74 1.47 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.73 0.07 0.00 0.00 57 R 8.13 3.79 0.00 1.76 1.89 0.00 3.28 0.00 0.00 3.17 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 58 K 8.41 4.01 0.00 1.52 1.73 0.00 1.22 0.00 0.00 0.64 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.78 0.99 7.81 59 C 8.70 4.37 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 60 L 8.13 4.22 0.00 1.65 1.60 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.89 4.94 0.00 2.78 2.72 0.00 0.00 6.98 7.14 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 62 L 7.86 4.15 0.00 1.92 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.60 4.63 0.00 1.83 1.76 0.00 3.20 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 1.54 1.21 0.00 64 L 8.81 5.17 0.00 1.28 1.41 0.87 1.05 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 65 W 8.17 4.60 0.00 3.62 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 66 N 8.38 5.03 0.00 2.62 2.67 0.00 0.00 6.84 7.61 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 *70 K 8.23 4.06 0.00 1.78 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 71 T 8.35 4.46 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 1.08 0.00 0.00 72 W 7.98 3.72 0.00 3.48 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 73 D 8.39 4.81 0.00 2.59 2.56 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 0.00 0.00 0.00 0.00 74 K 8.02 5.10 0.00 1.86 1.66 0.00 2.15 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.27 7.81 75 N 8.95 5.16 0.00 3.12 3.00 0.00 0.00 6.48 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 76 V 8.78 3.34 2.49 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 0.82 0.00 0.00 1.14 0.00 0.00 77 K 7.87 3.34 0.00 1.78 1.86 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.10 7.81 78 D 8.22 4.56 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.76 3.81 0.00 0.27 0.51 0.47 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.69 4.34 0.00 2.73 2.84 0.00 0.00 7.16 8.37 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 81 Y 7.76 4.91 0.00 2.72 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 82 E 8.70 4.92 0.00 1.97 1.85 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 2.23 2.29 0.00 83 L 8.63 5.17 0.00 1.51 1.39 1.16 0.39 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 84 L 8.68 5.01 0.00 1.66 1.38 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.76 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.42 0.94 0.00 0.00 86 V 8.51 4.66 1.80 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 0.84 0.00 0.00 0.81 0.00 0.00 87 S 8.54 4.62 0.00 2.93 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 88 Q 9.84 4.42 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 89 F 8.92 4.71 0.00 3.37 3.25 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 0.00 90 T 6.85 4.02 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 0.32 0.00 0.00 91 L 7.94 3.85 0.00 1.39 1.50 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.13 4.65 0.00 3.49 3.16 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 0.00 93 G 8.41 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 0.00 0.00 0.00 94 N 9.73 4.64 0.00 2.82 2.62 0.00 0.00 6.54 7.10 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 95 T 8.14 4.57 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 96 K 8.43 4.06 0.00 1.73 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 97 K 7.65 4.28 0.00 1.72 1.00 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.24 7.81 98 G 8.94 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 0.00 0.00 0.00 99 N 8.67 4.75 0.00 2.71 2.82 0.00 0.00 6.50 7.61 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 0.00 100 K 7.56 4.62 0.00 1.73 1.54 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.98 7.81 101 P 0.00 4.69 0.00 1.62 1.72 0.00 3.72 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 102 D 7.29 4.10 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 5.28 0.00 3.31 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 0.00 104 H 7.86 4.02 0.00 3.24 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.94 3.91 0.00 1.58 1.00 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.60 4.23 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 0.00 107 K 8.16 3.65 0.00 1.82 1.97 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.41 7.81 108 E 8.83 3.55 0.00 2.03 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 0.00 2.36 2.32 0.00 109 P 0.00 4.27 0.00 2.19 2.15 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 110 N 8.39 4.21 0.00 3.17 2.88 0.00 0.00 6.95 7.66 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 0.00 111 E 8.12 3.92 0.00 2.16 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 0.00 2.34 2.32 0.00 112 A 8.23 4.16 1.69 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 0.00 113 L 8.44 3.03 0.00 0.53 1.52 0.45 0.40 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 0.00 114 I 7.32 3.70 1.96 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 1.39 0.72 0.93 0.00 0.00 115 F 8.30 4.21 0.00 3.28 3.48 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 0.00 116 Y 9.06 4.25 0.00 3.52 3.44 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 0.00 117 N 8.95 4.37 0.00 2.95 2.91 0.00 0.00 7.24 7.60 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 0.00 118 K 8.48 3.95 0.00 1.73 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 I 7.91 3.92 1.96 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 1.11 0.42 0.99 0.00 0.00 120 I 7.70 3.81 1.92 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.99 0.90 0.00 0.00 121 D 8.30 4.36 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 0.00 122 E 8.34 3.98 0.00 2.43 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 0.00 2.30 2.29 0.00 123 F 8.43 4.03 0.00 3.29 3.09 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 0.00 124 K 8.06 4.17 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.64 7.81 125 K 8.10 4.10 0.00 1.85 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 126 Q 8.58 4.37 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 127 Y 9.13 4.81 0.00 3.02 2.29 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 0.00 128 N 8.56 4.88 0.00 2.57 1.80 0.00 0.00 6.97 8.49 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 0.00 129 D 8.92 4.35 0.00 2.73 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 0.00 130 D 8.86 4.60 0.00 2.48 2.60 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 0.00 131 K 7.77 4.31 0.00 0.83 1.51 0.00 1.78 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.85 0.63 7.81 132 I 7.56 4.58 1.85 0.00 0.00 1.00 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 0.98 0.77 0.00 0.00 133 K 8.80 4.86 0.00 1.60 1.63 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.45 7.81 134 I 7.60 5.28 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.87 0.97 0.00 0.00 135 G 8.66 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 0.00 136 K 8.25 4.39 0.00 1.69 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 0.97 7.81 137 F 8.81 3.75 0.00 2.95 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 0.00 138 G 7.91 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 0.00 0.00 0.00 139 N 7.76 4.76 0.00 2.94 2.82 0.00 0.00 6.88 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 0.00 140 Y 8.53 4.06 0.00 2.97 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 0.00 141 M 7.64 4.99 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 142 N 8.35 4.72 0.00 2.89 2.66 0.00 0.00 6.69 7.98 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 0.00 143 I 8.41 4.89 1.92 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 1.31 0.75 0.89 0.00 0.00 144 D 9.24 4.70 0.00 2.56 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 0.00 145 V 8.23 4.60 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 0.83 0.00 0.00 0.99 0.00 0.00 146 T 8.58 4.49 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 0.00 147 N 8.62 4.75 0.00 2.61 2.76 0.00 0.00 6.97 8.06 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 0.00 148 D 10.16 4.27 0.00 2.61 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 0.00 149 G 8.19 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 0.00 0.00 0.00 0.00 150 P 0.00 4.40 0.00 2.06 2.00 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 151 V 8.08 4.43 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 1.21 0.00 0.00 0.87 0.00 0.00 152 T 8.69 5.24 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 1.29 0.00 0.00 153 I 8.92 4.59 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.26 0.90 0.00 0.00 154 Y 8.73 5.30 0.00 2.88 2.81 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 0.00 155 I 7.81 4.39 1.77 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 1.09 0.53 0.98 0.00 0.00 156 D 8.28 5.02 0.00 2.49 2.66 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 0.00 157 T 8.78 3.74 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 1.37 0.00 0.00 158 H 8.01 4.56 0.00 3.28 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.94 4.55 0.00 2.64 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 * Residues marked with a * may have inaccurate shift predictions.