NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4593 8.2649 122.4678 50.9785 19.8282 176.7596 3 P 4.3671 0.0000 0.0000 61.9648 32.0142 175.2019 4 K 4.3155 9.6567 124.4658 59.1504 33.6157 177.1030 5 A 4.7285 7.8851 119.6651 50.2389 23.2771 175.4679 6 V 4.8138 8.5644 120.3071 61.3011 34.2088 174.2600 7 L 5.1145 9.0982 129.0972 53.6116 43.7316 176.4489 8 V 4.7269 9.5061 115.4685 59.4592 36.8536 174.7175 9 G 3.8687 8.0055 108.6675 42.8561 0.0000 172.7750 10 L 4.1447 7.7790 120.0009 53.5806 42.0990 175.3625 11 P 4.3839 0.0000 0.0000 64.9400 31.1424 176.6083 12 G 4.0113 9.0571 110.7945 45.4018 0.0000 174.2020 13 S 4.1058 8.6483 116.7176 60.0460 63.5057 174.9077 14 G 4.0080 9.0261 107.9108 45.3232 0.0000 175.6547 15 K 4.0825 8.3135 121.1536 59.6353 32.4884 178.8449 16 S 4.2205 8.1470 114.3236 61.8211 62.8038 176.4754 17 T 3.9637 7.8222 118.0841 66.3550 68.4601 176.5336 18 I 3.7549 7.8828 121.3479 64.7943 37.1269 178.7433 19 G 3.5660 7.8849 105.9483 47.7415 0.0000 175.7574 20 R 3.8996 8.5404 121.8069 59.1937 30.0223 178.8829 21 R 3.9668 7.7717 117.8980 59.1391 30.2218 178.7585 22 L 4.0270 8.0944 119.7932 57.8090 41.9376 178.8271 23 A 4.0560 8.3498 121.4257 54.9087 18.4203 179.7491 24 K 3.9431 7.7911 116.3759 59.2614 31.8939 179.5729 25 A 4.0142 7.8222 120.5249 55.1727 18.4631 179.4704 26 L 4.1298 7.7029 116.5065 55.8658 41.6205 178.3802 27 G 3.8941 7.9277 105.3645 45.7826 0.0000 173.0598 28 V 4.7073 7.8060 114.7388 59.2063 35.1046 174.9545 29 G 4.2669 8.5314 106.8879 45.0818 0.0000 172.7684 30 L 4.9775 8.4510 124.4414 54.1510 43.8416 175.7301 31 L 4.5989 8.8417 125.8603 53.3237 45.2201 174.7729 32 D 5.0334 8.6481 126.6886 53.5602 42.2446 177.1559 33 T 3.6716 8.6900 117.6518 64.6185 68.9007 176.7998 34 D 4.4108 8.2850 122.1638 57.2506 40.8020 178.7977 35 V 3.5662 7.8523 118.0831 65.8606 31.5724 177.4577 36 A 3.9963 8.7364 121.2982 55.4990 17.9020 179.8081 37 I 3.7525 7.7636 117.3769 64.3594 37.4595 178.0948 38 E 4.9495 7.8970 117.0919 58.0442 29.9804 178.1755 39 Q 4.0985 8.5852 122.6641 57.6642 30.2902 176.0189 40 R 4.6868 8.5739 120.5608 53.8864 26.6889 175.3973 41 T 4.1928 7.8218 108.0326 61.6093 73.6035 174.5827 42 G 4.0639 8.1661 109.7505 46.1757 0.0000 173.1390 43 R 4.7402 7.9078 117.7691 53.4773 32.9286 175.8307 44 S 4.7925 8.4390 115.5224 58.0561 64.1284 174.8764 45 I 4.0113 8.5061 124.1316 64.6942 36.8269 178.6756 46 A 4.0050 8.1478 120.8692 55.6905 18.2389 179.5075 47 D 4.5844 8.2655 115.9829 56.6309 41.2509 177.5519 48 I 4.2929 8.2404 118.6743 62.8982 38.6996 177.1254 49 F 3.9045 7.6211 117.6388 60.5034 39.1328 176.9044 50 A 4.0936 8.1076 128.4551 54.6861 19.0486 178.1674 51 T 4.6199 7.9244 110.7732 63.5221 70.8869 174.6385 52 D 4.6307 9.0081 116.3467 52.0662 41.8489 176.2052 53 G 3.9702 8.7858 106.7764 46.1946 0.0000 175.0682 54 E 3.2617 7.3828 113.8899 56.8118 31.2530 179.3201 55 Q 4.2116 8.1909 117.0344 59.6295 29.1498 179.0781 56 E 3.8527 8.0785 119.0865 59.2459 29.2968 178.4077 57 F 3.8989 8.2053 120.7466 61.5367 39.4213 177.3375 58 R 3.8666 8.8682 118.4404 58.8086 29.7346 179.1855 59 R 3.8029 7.5336 118.4908 59.2793 30.2549 178.0017 60 I 3.5072 8.0152 120.0520 64.6894 37.1633 177.2794 61 E 3.5139 8.5303 120.0647 59.3259 29.1736 178.2631 62 E 3.7977 8.0523 118.8272 59.7566 29.6833 179.0757 63 D 4.2687 7.8875 118.4785 57.3309 40.8996 178.8563 64 V 3.5615 7.7639 118.7437 65.7842 31.4006 177.9338 65 V 3.8011 7.5778 117.4615 65.0873 31.5786 178.2048 66 R 3.9173 8.4304 118.2823 58.9166 29.8948 178.5292 67 A 3.9357 7.9815 120.4139 55.4711 18.3196 179.6689 68 A 4.0728 7.7265 118.5349 55.1326 18.2831 179.6903 69 L 3.8860 8.3116 116.8845 57.4864 41.6507 179.0999 70 A 4.4832 7.6276 119.8206 53.3649 19.5760 178.1165 71 D 4.8306 8.5596 115.8926 53.2904 39.9786 174.7051 72 H 4.8576 8.6307 120.0906 56.0681 30.9992 174.2227 73 D 5.2325 8.4498 127.6092 54.5546 42.7365 177.1129 74 G 4.1599 7.1528 111.3757 46.3181 0.0000 176.2295 75 V 4.9678 8.8080 124.9021 60.4665 34.8903 172.3268 76 L 5.2022 9.1171 129.2501 53.4518 44.9097 174.8770 77 S 5.2036 8.8491 122.7603 56.9033 64.8654 173.4028 78 L 4.6222 8.4335 125.7198 53.5319 42.7337 177.5200 79 G 3.8329 9.1317 113.0783 45.4749 0.0000 174.9865 80 G 3.7526 8.9854 111.6549 47.6360 0.0000 174.4851 81 G 4.0382 8.1242 106.1593 44.8556 0.0000 174.5755 82 A 4.7513 7.9364 123.8433 54.6137 18.3694 179.9152 83 V 4.0016 7.7304 106.2499 62.2608 31.9370 177.2929 84 T 3.9603 8.0442 111.8981 64.4012 68.9893 176.1839 85 S 4.2162 7.9095 116.7494 57.0505 64.1725 172.6979 86 P 4.2939 0.0000 0.0000 66.2956 30.9974 178.9461 87 G 4.2191 8.1521 107.2904 46.4877 0.0000 175.4961 88 V 3.6365 7.4846 119.9797 65.8410 31.3330 178.3697 89 R 4.0396 7.7971 116.6585 58.6684 30.1667 178.4788 90 A 4.1260 7.8298 120.4413 54.9384 18.2886 179.2808 91 A 4.0867 7.5400 118.2263 54.7864 18.9828 179.0389 92 L 4.4550 7.6058 114.4347 54.6301 41.5015 176.5551 93 A 4.2641 7.5781 123.6096 55.1801 17.8190 176.5219 94 G 3.9819 8.9970 112.6578 47.2750 0.0000 173.3076 95 H 4.3352 7.5889 115.2969 55.9303 29.5838 174.7613 96 T 4.3999 8.3551 117.4886 62.6443 69.8805 174.3890 97 V 4.4460 8.7429 128.1855 61.1424 33.7989 174.5260 98 V 4.5414 9.0013 130.0691 62.0104 32.9841 173.8341 99 Y 5.0341 9.2742 130.4391 56.2161 40.4881 174.3175 100 L 4.7520 8.5906 128.1196 53.5393 42.2417 176.0780 101 E 3.8391 9.1041 125.7821 55.4217 30.9314 175.9350 102 I 5.0473 7.9443 123.2573 59.1149 41.3784 174.9977 103 S 4.4661 9.2920 123.5765 57.7135 64.0961 174.9839 104 A 4.1018 8.4893 121.6559 54.5715 17.8914 179.8173 105 A 3.7921 7.7714 118.5913 55.3778 18.8842 178.9948 106 E 4.0594 7.7437 117.4903 59.1914 29.6087 178.9508 107 G 4.2357 8.1981 107.5377 47.3605 0.0000 175.7686 108 V 3.3861 7.1651 120.0219 65.1382 31.1836 178.3020 109 R 4.0130 8.0077 117.6583 58.9293 30.2144 178.7278 110 R 4.0588 7.8570 116.6234 58.9768 30.1833 178.3810 111 T 4.0608 7.8787 107.0026 62.0057 69.5403 177.3596 112 G 3.4741 8.8566 103.6735 43.5274 0.0000 179.3027 113 G 3.8524 9.1000 117.4873 44.6651 0.0000 171.1967 114 N 4.0295 8.0062 114.4025 54.4395 38.1773 175.3646 *124 D 4.6385 7.9846 116.3749 54.6477 43.7926 177.6690 125 R 3.9169 8.1124 117.8635 59.7693 29.7206 177.5983 126 A 4.1829 7.9418 118.9886 54.0241 18.2664 178.9411 127 E 3.9496 8.1058 118.6217 59.2096 29.6566 178.8495 128 K 4.0992 8.0726 117.9873 59.4803 32.0453 178.5090 129 Y 4.1188 8.0859 120.1512 60.5743 38.1590 177.7302 130 R 4.0389 8.2754 118.9407 59.2314 30.0338 178.8893 131 A 4.3296 7.7600 119.3763 54.8491 17.8074 179.4948 132 L 3.8225 7.4422 117.6716 58.6533 42.1298 178.3272 133 M 4.0139 8.2609 118.2676 58.6284 31.9736 177.8953 134 A 4.0209 9.3561 122.4236 54.8228 18.7190 178.9175 135 K 4.0968 8.1209 116.8635 57.8396 32.5104 177.0722 136 R 4.0367 7.3674 114.6042 57.7288 32.6763 177.4567 137 A 4.2354 8.1228 119.6684 55.0314 18.0995 177.5963 138 P 4.4099 0.0000 0.0000 64.0538 31.6241 178.3440 139 L 3.8707 7.5814 118.0200 57.7545 41.4399 178.7682 140 Y 4.1224 7.6367 117.1088 60.9457 37.4880 178.3248 141 R 3.8497 7.5654 118.0169 58.9806 30.1804 178.9664 142 R 4.0715 7.3974 117.0126 58.1687 30.1274 178.2374 143 V 4.2203 7.2294 109.8925 60.4835 33.5130 175.9034 144 A 4.0228 7.1843 120.5415 52.0072 18.5418 177.0358 145 T 4.5893 8.5425 112.1321 61.1053 69.9611 174.0149 146 M 4.4231 7.3728 118.1647 55.2770 35.5702 173.3606 147 R 5.1469 8.9343 124.4150 54.3716 33.3466 174.9569 148 V 4.2332 8.7399 123.8556 60.9644 34.1064 173.7182 149 D 4.8276 8.6134 128.0923 53.5310 41.6020 175.8195 150 T 4.4570 9.0633 115.6963 61.4594 69.3824 176.0531 151 N 4.1264 8.3494 120.8418 56.4718 38.4749 176.2521 152 R 4.4260 7.7878 113.0550 55.9828 31.3359 176.2780 153 R 4.4851 7.1292 117.2058 54.7529 31.8249 176.4230 154 N 4.7559 8.2199 118.7016 51.2461 40.1573 174.5427 155 P 4.2948 0.0000 0.0000 65.7743 31.3124 178.6869 156 G 3.8587 8.2340 103.6255 48.3102 0.0000 174.9856 157 A 3.9769 8.1155 123.1682 54.7881 18.2501 179.7856 158 V 3.5154 7.8192 116.6696 65.8429 31.6900 178.3940 159 V 3.5807 7.9989 118.3881 66.3148 31.4076 178.3785 160 R 3.9832 8.2714 117.9136 59.3366 29.8593 178.5246 161 H 4.1618 8.4493 118.3089 59.3788 29.6064 177.4592 162 I 3.8521 7.6551 120.7882 64.0448 37.1855 177.9868 163 L 4.2400 7.8545 119.4859 57.5951 41.5542 179.3247 164 S 4.3362 8.0398 113.9983 61.4835 62.8232 176.2467 165 R 4.1986 7.6910 117.7453 56.7617 30.1253 176.2662 166 L 4.2557 8.0745 126.5704 55.0080 42.1058 175.6814 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 2 A 8.26 4.46 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.37 0.00 2.17 2.05 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.38 0.00 4 K 9.66 4.32 0.00 1.66 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.54 7.81 5 A 7.89 4.73 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 6 V 8.56 4.81 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 0.87 0.00 0.00 0.96 0.00 0.00 7 L 9.10 5.11 0.00 1.59 1.55 0.97 0.73 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 8 V 9.51 4.73 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 0.80 0.00 0.00 1.06 0.00 0.00 9 G 8.01 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 10 L 7.78 4.14 0.00 1.76 1.51 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.38 0.00 2.25 2.12 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 12 G 9.06 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 13 S 8.65 4.11 0.00 3.93 3.97 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 14 G 9.03 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 15 K 8.31 4.08 0.00 1.84 1.88 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.49 7.81 16 S 8.15 4.22 0.00 3.87 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 17 T 7.82 3.96 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 1.21 0.00 0.00 18 I 7.88 3.75 1.97 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 1.60 1.17 0.90 0.00 0.00 19 G 7.88 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.54 3.90 0.00 1.99 1.95 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 21 R 7.77 3.97 0.00 1.85 1.95 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 22 L 8.09 4.03 0.00 1.86 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.35 4.06 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 24 K 7.79 3.94 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 A 7.82 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.70 4.13 0.00 1.72 1.75 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.93 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 28 V 7.81 4.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.98 0.00 0.00 29 G 8.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.45 4.98 0.00 1.67 1.58 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.84 4.60 0.00 1.22 1.13 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.65 5.03 0.00 2.72 2.52 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 33 T 8.69 3.67 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 1.20 0.00 0.00 34 D 8.29 4.41 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.85 3.57 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 1.07 0.00 0.00 0.95 0.00 0.00 36 A 8.74 4.00 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 37 I 7.76 3.75 1.90 0.00 0.00 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 1.47 0.83 0.85 0.00 0.00 38 E 7.90 4.95 0.00 2.43 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 2.47 2.20 0.00 39 Q 8.59 4.10 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 40 R 8.57 4.69 0.00 1.88 1.95 0.00 3.18 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 41 T 7.82 4.19 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 1.25 0.00 0.00 42 G 8.17 4.06 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 43 R 7.91 4.74 0.00 1.86 1.84 0.00 3.15 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 44 S 8.44 4.79 0.00 4.01 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 45 I 8.51 4.01 1.99 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.10 1.01 0.00 0.00 46 A 8.15 4.00 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 47 D 8.27 4.58 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 48 I 8.24 4.29 2.20 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 1.36 1.03 1.06 0.00 0.00 49 F 7.62 3.90 0.00 2.95 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 50 A 8.11 4.09 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 51 T 7.92 4.62 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 1.23 0.00 0.00 52 D 9.01 4.63 0.00 2.65 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 0.00 0.00 0.00 0.00 53 G 8.79 3.97 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 0.00 0.00 0.00 54 E 7.38 3.26 0.00 2.13 1.97 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 2.82 2.48 0.00 55 Q 8.19 4.21 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 56 E 8.08 3.85 0.00 2.05 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 2.45 2.40 0.00 57 F 8.21 3.90 0.00 2.59 2.48 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 58 R 8.87 3.87 0.00 1.79 1.97 0.00 3.67 0.00 0.00 3.55 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 59 R 7.53 3.80 0.00 1.76 2.03 0.00 3.31 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 60 I 8.02 3.51 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.77 0.00 0.00 61 E 8.53 3.51 0.00 1.16 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 2.20 2.20 0.00 62 E 8.05 3.80 0.00 2.11 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 2.28 2.36 0.00 63 D 7.89 4.27 0.00 2.75 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 64 V 7.76 3.56 2.20 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 0.95 0.00 0.00 0.89 0.00 0.00 65 V 7.58 3.80 2.05 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 0.87 0.00 0.00 0.96 0.00 0.00 66 R 8.43 3.92 0.00 1.83 1.95 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 67 A 7.98 3.94 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 68 A 7.73 4.07 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 69 L 8.31 3.89 0.00 1.87 1.75 0.85 0.40 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 70 A 7.63 4.48 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 71 D 8.56 4.83 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.63 4.86 0.00 3.05 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.45 5.23 0.00 2.63 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 74 G 7.15 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 0.00 0.00 0.00 0.00 75 V 8.81 4.97 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 1.13 0.00 0.00 0.95 0.00 0.00 76 L 9.12 5.20 0.00 1.79 1.49 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.85 5.20 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.43 4.62 0.00 1.59 1.67 0.93 0.94 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 79 G 9.13 3.83 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 0.00 0.00 0.00 80 G 8.99 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 0.00 0.00 0.00 81 G 8.12 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 82 A 7.94 4.75 1.55 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 83 V 7.73 4.00 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 0.85 0.00 0.00 0.61 0.00 0.00 84 T 8.04 3.96 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 85 S 7.91 4.22 0.00 3.95 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 86 P 0.00 4.29 0.00 2.28 2.28 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 87 G 8.15 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.48 3.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 89 R 7.80 4.04 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 90 A 7.83 4.13 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 A 7.54 4.09 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 92 L 7.61 4.46 0.00 1.76 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.58 4.26 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 94 G 9.00 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 0.00 0.00 0.00 95 H 7.59 4.34 0.00 3.43 3.29 0.00 5.65 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 96 T 8.36 4.40 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 1.24 0.00 0.00 97 V 8.74 4.45 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 1.02 0.00 0.00 0.97 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 D 7.98 4.64 0.00 2.70 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 0.00 0.00 0.00 0.00 125 R 8.11 3.92 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 126 A 7.94 4.18 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 0.00 127 E 8.11 3.95 0.00 2.09 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 0.00 2.32 2.36 0.00 128 K 8.07 4.10 0.00 1.91 1.88 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.56 7.81 129 Y 8.09 4.12 0.00 3.15 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 0.00 130 R 8.28 4.04 0.00 1.97 2.03 0.00 3.22 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 131 A 7.76 4.33 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 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140 Y 7.64 4.12 0.00 2.47 1.56 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 0.00 141 R 7.57 3.85 0.00 1.73 1.98 0.00 3.25 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 142 R 7.40 4.07 0.00 1.77 1.95 0.00 3.09 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 143 V 7.23 4.22 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 0.73 0.00 0.00 1.05 0.00 0.00 144 A 7.18 4.02 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 0.00 145 T 8.54 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 146 M 7.37 4.42 0.00 2.11 1.92 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 2.50 2.51 0.00 147 R 8.93 5.15 0.00 1.75 1.79 0.00 3.32 0.00 0.00 3.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.78 0.00 148 V 8.74 4.23 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 0.76 0.00 0.00 0.89 0.00 0.00 149 D 8.61 4.83 0.00 2.86 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 0.00 0.00 0.00 0.00 150 T 9.06 4.46 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 1.12 0.00 0.00 151 N 8.35 4.13 0.00 2.74 2.90 0.00 0.00 6.79 7.26 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 0.00 152 R 7.79 4.43 0.00 1.76 1.94 0.00 3.34 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 153 R 7.13 4.49 0.00 1.66 1.82 0.00 3.33 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 154 N 8.22 4.76 0.00 2.90 2.94 0.00 0.00 6.08 7.76 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 0.00 155 P 0.00 4.29 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 156 G 8.23 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 0.00 157 A 8.12 3.98 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 0.00 158 V 7.82 3.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 159 V 8.00 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 160 R 8.27 3.98 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 161 H 8.45 4.16 0.00 3.22 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.66 3.85 2.09 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 1.55 0.95 0.93 0.00 0.00 163 L 7.85 4.24 0.00 1.73 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.04 4.34 0.00 3.98 3.92 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 0.00 165 R 7.69 4.20 0.00 1.80 1.96 0.00 3.27 0.00 0.00 3.10 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 166 L 8.07 4.26 0.00 1.86 1.53 0.93 0.94 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.