NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 T 4.4527 8.1749 117.3273 63.4525 69.8720 172.8069 40 K 4.7209 8.3446 124.8134 53.3555 37.0704 170.2613 41 V 4.3262 8.4188 123.7005 63.0867 33.1591 174.9786 42 S 5.1198 9.1272 121.8425 56.3676 66.6375 174.5272 43 E 4.2107 9.2256 118.8719 59.8674 28.8990 178.9127 44 Q 4.2945 8.3638 116.4407 56.5248 30.0546 175.9167 45 G 2.6307 5.8240 106.2881 44.3241 0.0000 172.8982 46 V 4.5202 7.4473 124.5624 61.4581 34.1748 177.8339 47 G 3.8493 8.0015 119.2660 47.1446 0.0000 173.3358 48 E 4.3459 8.9569 122.3534 55.5355 29.9511 175.2716 49 L 4.1009 7.9818 122.0839 54.3453 42.0783 176.2876 50 T 4.8466 8.7395 112.5772 58.3098 72.0556 174.5383 51 A 4.6004 8.9240 122.9037 54.4264 18.3544 178.5238 52 S 4.4671 7.7083 108.0946 59.1238 63.9934 174.4656 53 T 4.0319 7.6504 120.0629 62.9501 68.8556 172.4008 54 P 4.5281 0.0000 0.0000 62.6653 32.1663 177.0611 55 L 4.4821 8.1967 126.4193 53.8869 40.0204 175.6006 56 Q 4.6415 7.5606 119.9595 52.5678 33.7200 175.3381 57 E 3.4426 9.0789 122.3147 59.9784 29.4957 179.6787 58 Q 4.0021 7.9642 116.7559 58.4162 28.9684 178.3430 59 A 3.9145 7.7840 121.6277 55.1709 18.5295 179.5908 60 I 3.5281 7.5045 118.1125 64.4091 36.9129 178.5913 61 A 3.9820 7.6221 120.4681 55.2813 18.2650 179.1460 62 D 4.3922 8.1103 116.4060 57.3270 40.9036 178.4928 63 A 4.1115 7.5548 120.1155 53.6046 18.9124 178.2053 64 L 4.1504 7.5017 117.2015 54.9747 42.2199 176.9525 65 D 4.6904 8.4928 121.8144 50.7917 41.1302 174.4139 66 G 3.5500 7.5299 111.9206 45.3893 0.0000 171.2035 67 D 4.5159 7.8128 119.8007 53.0048 39.1980 175.4830 68 Y 5.0699 7.3066 117.7255 56.5549 41.2586 176.0473 69 R 4.7833 8.7717 119.8175 54.6232 33.7244 174.8750 70 L 5.2708 8.2946 120.9436 53.6549 45.2063 175.1792 71 R 4.9555 9.3028 125.1139 54.6860 34.2463 173.4168 72 S 4.6626 8.1305 116.3586 56.6665 66.7540 172.1884 73 G 3.3351 7.0892 105.7312 45.9207 0.0000 172.0829 74 M 5.4673 8.2303 118.1956 53.7809 36.3464 174.6868 75 K 4.6718 9.2924 119.8968 56.5104 36.9831 174.2861 76 T 4.9857 8.3759 116.4565 62.4938 69.9004 175.0789 77 A 4.4350 9.4599 128.1695 52.4391 22.7671 176.1243 78 N 4.2408 9.8274 121.1329 54.4774 36.1910 174.9102 79 G 3.8868 8.7271 100.1299 46.0836 0.0000 172.3628 80 N 4.9351 8.0913 118.1034 52.3996 43.0735 172.3293 81 V 4.8583 8.3439 118.8415 61.2802 33.3631 175.5583 82 V 4.6198 9.2968 121.3094 59.6053 35.0226 175.2236 83 R 4.8124 8.5160 121.9203 55.6724 31.4670 175.6056 84 F 5.2873 8.5272 116.1648 55.3348 42.2401 173.2786 85 F 5.1880 9.4305 117.5400 55.7477 42.8134 174.0168 86 E 5.1727 9.0975 121.9611 54.7376 31.9793 175.1411 87 V 4.3601 8.9967 125.8876 62.2851 33.1121 174.4177 88 M 5.0770 9.4556 128.2415 53.4922 35.1559 175.0436 89 K 4.7687 9.3157 124.6102 53.8913 34.5495 176.9639 90 G 3.8656 8.8946 120.1454 47.0157 0.0000 174.0278 91 D 4.6136 8.9290 124.1233 53.7202 40.0714 175.5725 92 N 5.0589 7.8469 117.5464 51.1159 41.6738 173.7544 93 V 4.0197 8.3098 120.9082 62.8918 32.3032 175.6880 94 A 4.4590 9.2670 129.7938 54.4725 20.2766 176.7785 95 M 5.1628 7.7030 112.4138 54.2592 37.0396 174.1108 96 V 4.8892 8.6854 121.9246 61.3045 34.3146 174.1768 97 I 4.9973 9.2306 129.1293 59.7812 39.4850 174.5876 98 N 5.4026 9.1228 124.0589 51.9149 42.4017 174.0578 99 G 4.6513 7.7871 107.2386 46.7104 0.0000 174.3904 *102 G 3.7967 8.1627 103.2658 46.1024 0.0000 171.4552 103 T 4.8928 7.3419 111.7304 59.3893 71.1801 172.4115 104 I 4.4960 8.4598 126.7357 61.6227 36.9730 176.8119 105 S 4.8663 9.0269 119.1371 58.2164 65.3220 173.6657 106 R 5.0112 7.8632 119.9512 55.4831 33.6662 173.4947 107 I 5.1946 9.1473 125.6617 59.9733 41.4392 173.7533 108 D 5.2013 9.1389 127.8449 53.0428 42.8003 175.6095 109 V 4.7914 9.2537 124.5164 61.3608 33.2655 175.6694 110 L 4.7582 8.9325 126.5139 54.3294 43.8653 176.2444 111 D 4.5055 8.0624 120.5549 53.6908 41.3463 176.8929 112 S 4.2567 8.6783 121.9869 61.0484 63.3009 174.8911 113 D 4.4555 8.3927 119.4703 55.4335 40.6818 175.8281 114 I 4.5092 7.6940 121.0954 58.9591 38.6086 173.8228 115 P 4.8538 0.0000 0.0000 61.4382 33.7709 175.1310 116 A 4.9091 9.3048 122.8367 51.6700 19.4564 178.3653 117 D 4.5689 9.0851 119.2957 54.6860 39.8632 177.6906 118 T 4.0050 7.8570 109.8019 63.0497 69.0201 175.3512 119 G 3.9392 8.2858 111.4077 45.1382 0.0000 174.0457 120 V 3.7331 7.4875 120.0276 62.2802 32.2418 174.8867 121 K 4.8640 8.5266 123.9612 54.5700 35.8397 175.6111 122 I 3.8427 8.1871 120.1565 63.3318 37.1955 176.8185 123 G 4.0125 9.2342 114.4206 45.3672 0.0000 174.0639 124 T 3.9231 7.8991 117.6438 63.0721 69.2384 172.0226 125 P 4.9368 0.0000 0.0000 62.2919 32.3924 176.7895 126 F 4.0827 9.9688 126.3157 61.5599 39.2220 177.7078 127 S 4.3880 7.8218 112.1410 60.6417 62.9120 175.1438 128 D 4.4575 7.8163 120.4193 56.2718 40.7795 176.9726 129 L 4.2377 7.7381 117.8509 54.9473 43.6389 176.5123 130 Y 4.6647 6.8398 114.0674 55.9754 41.1616 175.4977 131 S 4.4349 8.7159 117.9860 59.6910 64.0153 173.9740 132 K 4.6268 7.4507 117.1991 56.0309 34.6037 175.1597 133 A 4.1283 9.4913 124.2159 54.5464 18.8780 177.9862 134 F 3.7448 8.2375 117.4380 59.8579 39.5750 175.9625 135 G 3.8772 8.2519 118.3499 46.1404 0.0000 174.2658 136 N 4.5332 8.2846 117.3305 55.6147 39.4774 174.9932 137 C 5.5121 7.7895 113.7542 55.4791 42.6789 173.8526 138 Q 4.7174 9.1158 119.0664 54.0702 33.4895 174.3185 139 K 4.0271 8.8088 120.5269 57.2303 32.1356 176.6316 140 A 3.8806 9.1035 128.8294 54.7114 19.1711 177.0219 *147 A 5.1355 7.3819 114.6645 51.7508 21.0387 174.7696 148 V 4.8871 8.8356 118.8279 61.0869 34.8288 173.7610 149 E 5.4293 9.8129 129.1448 54.7501 32.2903 173.8601 150 C 5.5297 9.4335 123.5310 54.9702 44.4275 173.6954 151 K 4.5468 8.5017 122.2557 56.0072 32.7473 176.9077 152 A 4.2544 8.5896 126.5257 51.3793 19.5953 176.8594 153 E 4.0372 8.9954 123.4414 57.7081 30.0018 177.1976 154 G 3.9306 8.9816 113.5689 45.7133 0.0000 172.5963 155 S 4.7867 7.7555 113.6612 56.5657 64.0751 173.9517 156 Q 4.3113 8.5654 124.2012 56.8417 29.3473 176.1028 157 H 4.6946 8.0414 112.6190 54.8870 32.0939 173.0659 158 I 4.9971 8.0493 119.8727 59.6622 39.4833 175.1193 159 S 4.9046 8.9810 121.3419 56.8897 67.6944 172.3821 160 Y 5.3308 8.8898 118.8346 56.5557 41.2550 175.0115 161 Q 5.2630 9.1838 122.6675 54.6884 31.6627 174.6716 162 F 5.5528 9.7162 120.8616 55.9683 42.9365 174.4688 163 S 4.2199 9.2044 115.4239 56.6644 66.9498 173.5537 164 G 3.0605 5.9952 104.7460 45.9873 0.0000 171.5874 165 E 4.1589 8.6273 121.3924 55.6577 30.0003 176.9581 166 W 4.5919 8.7895 135.0000 57.3721 31.6674 175.0452 167 R 4.5407 7.3218 123.0542 55.8780 32.5854 175.6589 168 G 3.9135 8.7590 112.3326 43.7788 0.0000 170.8877 169 P 4.4069 0.0000 0.0000 63.2007 31.5950 176.4804 170 E 4.1224 8.8779 120.9193 57.5669 29.9483 177.1499 171 G 4.0404 8.1117 105.4884 45.3998 0.0000 172.9334 172 L 4.9396 7.6398 118.4406 52.2986 45.1186 176.1117 173 M 4.0602 8.4299 120.1147 54.7944 32.3212 175.1865 174 P 3.9251 0.0000 0.0000 61.8594 32.2069 176.5494 175 S 4.2483 7.8153 115.2676 58.0163 65.1349 174.9252 176 D 4.1999 8.3207 121.1713 57.5573 40.2361 178.8078 177 D 4.3661 7.8310 118.1725 57.2671 40.6635 178.6203 178 T 3.9686 7.2771 115.3108 66.6738 68.4878 176.9982 179 L 2.7138 7.2676 120.8027 56.8795 40.8078 179.5655 180 K 4.1808 7.6918 118.5557 59.7552 32.0835 177.8788 181 N 4.8736 7.6432 113.9986 52.3212 39.3979 175.2703 182 W 4.7163 8.0262 121.8811 56.8472 30.6835 175.2436 183 K 5.4333 8.9951 120.1233 54.3685 36.4428 176.1165 184 V 3.6179 8.8256 123.7369 63.4391 31.8011 176.3652 185 S 4.8311 9.0723 121.8468 58.1698 64.8366 173.9431 186 K 4.8297 7.7725 120.8482 55.2764 35.8265 174.0460 187 I 5.0786 8.7555 126.5895 59.6345 40.0421 174.4824 188 I 4.9959 9.0025 127.7849 59.2552 40.1506 174.2096 189 W 5.2267 9.3265 135.0000 55.7846 32.9588 174.8105 190 R 4.5848 7.8703 125.3481 53.5054 33.2800 175.5329 191 R 3.4765 7.6351 118.8104 56.2788 28.9730 176.4296 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 39 T 8.17 4.45 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 1.25 0.00 0.00 40 K 8.34 4.72 0.00 1.74 1.77 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 41 V 8.42 4.33 2.18 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 1.18 0.00 0.00 0.99 0.00 0.00 42 S 9.13 5.12 0.00 3.96 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 43 E 9.23 4.21 0.00 2.07 2.24 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 2.42 2.40 0.00 44 Q 8.36 4.29 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 45 G 5.82 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 0.00 0.00 0.00 46 V 7.45 4.52 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 1.00 0.00 0.00 0.81 0.00 0.00 47 G 8.00 3.85 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 0.00 0.00 0.00 48 E 8.96 4.35 0.00 1.90 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 2.20 2.22 0.00 49 L 7.98 4.10 0.00 1.61 1.43 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.74 4.85 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 1.18 0.00 0.00 51 A 8.92 4.60 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.71 4.47 0.00 4.02 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 53 T 7.65 4.03 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 1.15 0.00 0.00 54 P 0.00 4.53 0.00 1.92 1.99 0.00 3.64 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 2.01 2.09 0.00 55 L 8.20 4.48 0.00 1.77 1.80 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.56 4.64 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 57 E 9.08 3.44 0.00 2.12 1.96 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 2.35 2.41 0.00 58 Q 7.96 4.00 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 59 A 7.78 3.91 1.29 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 60 I 7.50 3.53 1.49 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 0.74 0.00 0.00 61 A 7.62 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 62 D 8.11 4.39 0.00 2.83 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 63 A 7.55 4.11 1.29 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 64 L 7.50 4.15 0.00 1.87 1.79 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.49 4.69 0.00 2.57 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 66 G 7.53 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.81 4.52 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.31 5.07 0.00 2.86 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 69 R 8.77 4.78 0.00 1.87 1.88 0.00 3.16 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 1.59 1.62 0.00 70 L 8.29 5.27 0.00 1.60 1.52 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.30 4.96 0.00 1.91 1.72 0.00 3.10 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 72 S 8.13 4.66 0.00 3.03 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 73 G 7.09 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 0.00 0.00 0.00 74 M 8.23 5.47 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 75 K 9.29 4.67 0.00 1.78 2.03 0.00 1.24 0.00 0.00 1.44 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.49 7.81 76 T 8.38 4.99 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 1.21 0.00 0.00 77 A 9.46 4.43 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 78 N 9.83 4.24 0.00 2.84 2.87 0.00 0.00 7.10 7.65 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 79 G 8.73 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 80 N 8.09 4.94 0.00 2.74 2.66 0.00 0.00 6.70 7.25 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 81 V 8.34 4.86 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 0.91 0.00 0.00 0.94 0.00 0.00 82 V 9.30 4.62 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 0.69 0.00 0.00 1.03 0.00 0.00 83 R 8.52 4.81 0.00 1.68 1.60 0.00 3.13 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 84 F 8.53 5.29 0.00 3.16 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 85 F 9.43 5.19 0.00 3.07 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 86 E 9.10 5.17 0.00 2.01 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 2.37 2.55 0.00 87 V 9.00 4.36 1.87 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 0.13 0.00 0.00 0.82 0.00 0.00 88 M 9.46 5.08 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 89 K 9.32 4.77 0.00 2.01 1.78 0.00 1.82 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.41 7.81 90 G 8.89 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 91 D 8.93 4.61 0.00 2.81 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 92 N 7.85 5.06 0.00 2.94 2.73 0.00 0.00 6.54 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 93 V 8.31 4.02 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 0.83 0.00 0.00 1.03 0.00 0.00 94 A 9.27 4.46 1.25 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 0.00 0.00 95 M 7.70 5.16 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 96 V 8.69 4.89 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 1.00 0.00 0.00 0.93 0.00 0.00 97 I 9.23 5.00 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 1.02 0.00 0.00 98 N 9.12 5.40 0.00 2.62 2.73 0.00 0.00 6.34 7.34 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 99 G 7.79 4.65 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 0.00 0.00 0.00 *102 G 8.16 3.80 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 0.00 0.00 0.00 103 T 7.34 4.89 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 1.26 0.00 0.00 104 I 8.46 4.50 2.17 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 1.43 0.71 1.10 0.00 0.00 105 S 9.03 4.87 0.00 3.84 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 0.00 106 R 7.86 5.01 0.00 1.87 1.80 0.00 3.10 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 107 I 9.15 5.19 2.03 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.93 0.00 0.00 108 D 9.14 5.20 0.00 2.65 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 0.00 109 V 9.25 4.79 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 1.02 0.00 0.00 0.96 0.00 0.00 110 L 8.93 4.76 0.00 1.63 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.06 4.51 0.00 2.87 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 0.00 112 S 8.68 4.26 0.00 4.03 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 0.00 113 D 8.39 4.46 0.00 2.87 2.78 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 0.00 114 I 7.69 4.51 1.91 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 1.36 0.67 0.97 0.00 0.00 115 P 0.00 4.85 0.00 2.12 2.18 0.00 3.90 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 116 A 9.30 4.91 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 0.00 117 D 9.09 4.57 0.00 2.81 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 0.00 118 T 7.86 4.01 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 1.35 0.00 0.00 119 G 8.29 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 0.00 120 V 7.49 3.73 1.78 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 0.12 0.00 0.00 0.67 0.00 0.00 121 K 8.53 4.86 0.00 1.90 1.82 0.00 1.38 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.37 7.81 122 I 8.19 3.84 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 1.35 0.82 0.91 0.00 0.00 123 G 9.23 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 0.00 0.00 0.00 124 T 7.90 3.92 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 1.17 0.00 0.00 125 P 0.00 4.94 0.00 2.26 2.08 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 126 F 9.97 4.08 0.00 3.02 3.32 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 0.00 127 S 7.82 4.39 0.00 4.09 4.20 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 0.00 128 D 7.82 4.46 0.00 2.94 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 0.00 129 L 7.74 4.24 0.00 0.90 0.72 0.86 0.64 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 0.00 130 Y 6.84 4.66 0.00 1.73 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 0.00 131 S 8.72 4.43 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 0.00 132 K 7.45 4.63 0.00 2.06 1.81 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 133 A 9.49 4.13 1.28 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 0.00 0.00 0.00 134 F 8.24 3.74 0.00 3.11 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 0.00 135 G 8.25 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 0.00 0.00 0.00 136 N 8.28 4.53 0.00 2.50 2.52 0.00 0.00 6.67 7.81 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 0.00 137 C 7.79 5.51 0.00 2.71 2.87 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 0.00 138 Q 9.12 4.72 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 139 K 8.81 4.03 0.00 1.70 1.87 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.56 7.81 140 A 9.10 3.88 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 *147 A 7.38 5.14 1.46 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 0.00 0.00 148 V 8.84 4.89 2.25 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 0.94 0.00 0.00 0.86 0.00 0.00 149 E 9.81 5.43 0.00 2.09 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 2.24 2.32 0.00 150 C 9.43 5.53 0.00 3.17 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 0.00 151 K 8.50 4.55 0.00 1.66 1.69 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.40 7.81 152 A 8.59 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 9.00 4.04 0.00 1.99 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 2.31 2.41 0.00 154 G 8.98 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 0.00 155 S 7.76 4.79 0.00 3.87 3.84 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 0.00 156 Q 8.57 4.31 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 157 H 8.04 4.69 0.00 3.17 2.93 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.05 5.00 1.84 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 1.43 0.92 0.84 0.00 0.00 159 S 8.98 4.90 0.00 3.65 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 0.00 160 Y 8.89 5.33 0.00 2.92 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 0.00 161 Q 9.18 5.26 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 162 F 9.72 5.55 0.00 3.39 3.46 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 0.00 163 S 9.20 4.22 0.00 3.50 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 0.00 164 G 6.00 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 0.00 0.00 0.00 165 E 8.63 4.16 0.00 1.98 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 2.40 2.37 0.00 166 W 8.79 4.59 0.00 3.60 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 0.00 167 R 7.32 4.54 0.00 1.70 1.55 0.00 3.31 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 168 G 8.76 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 0.00 169 P 0.00 4.41 0.00 2.15 2.10 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 170 E 8.88 4.12 0.00 1.85 1.90 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 1.99 1.65 0.00 171 G 8.11 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 0.00 172 L 7.64 4.94 0.00 1.68 1.57 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 173 M 8.43 4.06 0.00 1.79 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 174 P 0.00 3.93 0.00 1.09 1.16 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.00 175 S 7.82 4.25 0.00 3.92 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 0.00 176 D 8.32 4.20 0.00 2.66 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 0.00 177 D 7.83 4.37 0.00 2.57 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 0.00 178 T 7.28 3.97 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 1.17 0.00 0.00 179 L 7.27 2.71 0.00 0.76 0.13 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 180 K 7.69 4.18 0.00 2.08 2.16 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.53 7.81 181 N 7.64 4.87 0.00 2.88 3.00 0.00 0.00 7.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 W 8.03 4.72 0.00 3.27 3.31 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 0.00 183 K 9.00 5.43 0.00 1.75 1.72 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 184 V 8.83 3.62 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 0.83 0.00 0.00 0.51 0.00 0.00 185 S 9.07 4.83 0.00 3.82 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 0.00 186 K 7.77 4.83 0.00 1.83 1.65 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.69 7.81 187 I 8.76 5.08 1.97 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 1.43 0.94 1.12 0.00 0.00 188 I 9.00 5.00 1.88 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 1.15 0.89 0.93 0.00 0.00 189 W 9.33 5.23 0.00 3.39 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 0.00 190 R 7.87 4.58 0.00 1.32 1.44 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 191 R 7.64 3.48 0.00 1.79 1.83 0.00 3.10 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.