NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4398 8.3193 115.2913 58.4464 63.4010 173.1681 3 S 4.5294 8.5071 119.4719 56.1503 63.7721 172.5158 4 T 4.4512 7.6844 110.9089 61.8611 70.7671 175.1778 5 V 4.4664 8.8428 122.9195 61.0616 34.0604 175.1599 6 S 4.9098 8.7908 123.9401 58.9568 63.6396 173.5324 7 T 5.0130 8.8083 113.7314 58.7433 71.2331 173.7915 8 L 3.9960 8.5028 119.6313 56.8472 41.6241 177.3132 9 Y 4.6271 8.9335 114.4345 56.3537 40.6459 177.2748 10 G 4.0177 6.8737 106.5710 46.2322 0.0000 170.3835 11 E 5.2841 8.5516 121.4260 54.8105 32.4951 176.0489 12 V 4.7283 8.7239 115.3106 59.4045 36.8596 174.7643 13 E 4.3710 8.7079 121.4962 55.7679 30.2307 176.5304 14 P 4.2732 0.0000 0.0000 65.7187 31.4635 178.8676 15 S 4.1127 8.2310 112.6902 61.7523 62.4423 176.4657 16 L 3.9773 7.9555 123.6114 57.8107 41.7753 178.9246 17 L 3.9704 7.8578 118.5338 57.6470 41.3558 179.0633 18 E 3.9524 8.1504 117.9367 59.4241 29.8253 179.2132 19 I 3.8324 7.6947 119.1866 64.4674 37.1129 178.3574 20 A 3.9867 8.2781 121.9069 55.0274 17.9146 179.3869 21 K 3.8899 8.1506 117.8153 58.7904 32.1777 177.4325 22 Q 4.5769 7.4140 113.8698 55.5687 28.8180 175.4696 23 I 4.0177 7.4102 120.1149 62.1218 37.4912 175.9539 24 K 4.6380 9.3619 122.7859 55.9829 34.9110 175.5343 25 L 5.1103 7.7806 122.3440 53.2397 45.8167 174.1842 26 L 5.1691 9.2367 128.5992 53.4427 44.7813 174.7390 27 I 4.9554 8.8606 127.8616 59.8243 39.7226 174.5629 28 C 4.9031 8.8118 124.0654 57.5165 31.6129 173.4916 29 D 4.9736 8.3143 122.6108 54.4009 41.6545 175.4642 30 V 4.2685 8.5426 119.7820 64.7521 32.7515 175.0913 31 D 4.6886 7.8565 119.9122 55.5795 41.2399 176.9925 32 G 4.0321 9.2851 113.1882 46.3265 0.0000 173.2774 33 V 4.1868 7.4402 116.2670 64.4566 34.4198 177.5362 34 F 4.1577 8.2354 118.2396 59.3157 39.0913 175.6272 35 S 5.3180 7.9904 113.6470 55.3532 65.2520 173.7447 36 D 4.8607 7.3824 117.0149 53.0321 38.7062 177.7706 37 G 3.9471 7.7817 106.8121 45.8012 0.0000 174.1312 38 L 4.3381 7.8483 119.3260 53.7196 42.8047 176.0025 39 I 4.5405 7.9301 121.9768 59.9486 39.2159 175.2181 40 Y 4.2329 8.8609 125.0010 56.9810 40.2144 174.8396 *42 G 4.1110 8.3076 107.1540 46.2421 0.0000 173.7368 43 N 4.6345 8.8923 116.3893 55.2825 38.7865 176.2896 44 Q 4.3861 8.6625 116.9548 55.4614 28.7716 176.2703 45 G 3.9300 8.1132 105.0500 45.9934 0.0000 174.4762 46 E 4.1561 7.9986 118.1037 56.3079 30.0543 175.9003 47 E 5.0719 8.4594 121.4206 54.6502 33.0680 174.3732 48 L 5.0182 9.1297 125.4042 52.9455 45.8541 175.2815 49 K 5.0230 8.4217 120.8545 55.1358 35.6204 175.4449 50 T 4.5344 8.3341 115.2224 60.1211 70.7511 173.6582 51 F 5.1912 8.3847 120.8270 56.0168 42.9564 173.7814 52 H 4.7953 8.7243 122.5647 54.7485 31.0087 176.1339 53 T 3.9154 8.2649 120.8063 64.9020 67.0069 174.7596 54 R 4.4692 8.0302 118.1825 56.8015 31.0339 177.8626 55 D 4.8143 8.4733 119.6797 57.0605 40.6887 178.5427 56 G 3.7707 8.2936 105.9842 48.1396 0.0000 174.7841 57 Y 4.1395 8.2599 121.5923 60.3352 38.7857 178.4546 58 G 3.6334 7.8946 107.1221 47.7298 0.0000 175.9513 59 V 3.6153 7.7611 119.8380 65.6118 31.6751 177.6528 60 K 3.9902 8.1663 118.2483 59.4118 32.2661 178.2099 61 A 4.0107 7.9049 121.0782 54.8746 18.1838 180.0457 62 L 4.2398 7.6875 114.8439 55.6223 41.3076 178.8780 *64 N 4.5980 8.1884 117.9452 53.2494 40.3480 175.2497 65 A 4.1752 7.6608 118.4558 52.3193 18.4382 178.2122 66 G 3.9512 8.1916 104.5066 45.2671 0.0000 173.7438 67 I 4.2467 7.3928 120.9982 60.8632 37.9020 175.8008 68 E 4.4061 9.2251 126.8684 56.0550 30.9915 175.6109 69 I 5.1704 8.3395 122.7434 59.5966 40.1652 174.7476 70 A 5.0900 8.9088 126.8727 50.3049 23.2211 174.7264 71 I 5.0373 8.7972 119.6953 59.5891 41.0321 174.7988 72 I 5.1231 8.8122 127.0008 59.9162 40.4236 174.4257 73 T 4.7347 9.1929 121.7247 60.3318 70.8893 174.8158 74 G 3.8064 8.8412 114.4671 47.1574 0.0000 174.3223 75 R 4.7306 7.7152 118.7693 55.0368 31.6099 174.9666 76 R 5.0594 8.1274 118.5632 54.1611 32.6451 174.8972 77 S 4.6918 9.0370 118.5169 56.2251 67.3580 175.4570 78 Q 3.9681 8.6929 123.9600 59.0839 28.8360 178.3367 79 I 3.7065 7.8995 120.8132 64.7445 36.9636 178.2240 80 V 3.6480 7.5750 117.0263 65.8363 31.3998 177.5040 81 E 4.0575 7.6247 117.0178 59.5230 29.7105 178.7603 82 N 4.4611 8.3777 116.7084 56.2307 38.6213 177.3734 83 R 3.8561 7.6372 117.0476 57.0434 29.7697 177.9139 *85 K 4.1656 8.0458 118.6651 55.9241 33.9831 177.9893 86 A 3.9987 7.6540 120.1071 54.5027 18.2885 178.0094 87 L 4.2157 7.3318 113.2918 54.6298 42.0285 177.6568 88 G 3.8736 8.0266 106.9459 45.7677 0.0000 173.6494 89 I 4.0801 7.5162 120.1937 60.5767 37.8237 175.8457 90 S 4.5640 8.5764 118.0414 58.5764 65.0466 174.4223 91 L 4.3938 7.6139 121.8916 53.1294 40.9255 173.6723 92 I 4.7123 7.7219 121.1678 59.5517 39.7524 174.3969 93 Y 4.4955 9.2818 126.6166 56.5199 39.7395 175.3571 94 Q 4.9721 8.6887 122.6268 53.6495 32.4846 175.2314 95 G 4.1994 8.5474 106.2253 46.6874 0.0000 174.3231 96 Q 4.4059 8.2025 120.3500 54.2373 28.5031 176.8120 97 D 4.2385 8.8207 124.1840 56.3720 41.1357 176.3825 98 D 4.8126 7.8010 118.7516 52.1836 42.2599 176.2801 99 K 4.1834 8.4837 126.8801 58.4358 32.1319 179.3233 100 V 3.3463 7.7568 119.1311 65.8778 31.3424 177.8753 101 Q 4.0308 7.8725 116.1502 58.9646 28.5102 178.6462 102 A 3.6889 7.8671 121.2448 55.0418 18.2972 178.8710 103 Y 3.8879 7.6496 117.8986 61.1454 38.9186 177.7804 104 Y 4.1652 7.7663 117.6925 61.2545 37.9230 178.4412 105 D 4.3325 8.0023 118.8922 57.2902 41.3501 178.2881 106 I 3.7212 7.7052 120.5353 64.5191 37.0629 178.0311 107 C 3.9591 7.9031 117.7306 62.8642 27.6930 176.1084 108 Q 3.9507 7.8081 118.1321 59.0000 28.4447 178.8469 109 K 4.0918 7.8912 117.7349 59.3978 32.0344 178.7884 110 L 4.3370 8.2176 117.5891 53.7586 42.0150 176.9849 111 A 3.8143 7.8573 120.1255 53.0176 16.6747 176.7148 112 I 4.2783 6.9794 116.4308 61.2460 38.8170 176.3444 113 A 4.4121 8.2805 127.4242 50.8978 19.5843 176.5876 114 P 4.4501 0.0000 0.0000 65.5779 31.6331 179.0943 115 E 4.0746 8.2763 116.5981 58.7540 29.7272 177.3399 116 Q 4.7420 8.1964 117.1542 55.7475 30.4277 175.1017 117 T 5.1338 8.0726 115.9924 61.7648 72.0284 173.4923 118 G 4.5787 9.2584 111.8172 44.6962 0.0000 171.1290 119 Y 5.3319 9.0455 121.3153 55.8186 42.8601 173.7622 120 I 4.9006 8.5294 127.5350 59.8266 39.7919 174.9641 121 G 4.8202 9.4649 114.4287 44.6014 0.0000 171.8255 122 D 5.0994 9.5039 115.0503 52.8060 41.9259 174.4911 123 D 4.6650 8.1153 117.9069 51.8806 44.8389 175.4026 124 L 4.0751 9.0754 121.0749 57.5434 41.1044 179.5545 125 I 3.7880 7.7553 117.2599 63.6050 37.6760 176.8272 126 D 4.4433 8.2337 119.3638 56.1222 40.5531 178.2953 127 W 4.2597 7.8920 128.7872 59.9825 30.7523 175.8721 128 P 4.0649 0.0000 0.0000 64.9100 30.9397 176.8089 129 V 3.3079 6.7432 115.9025 63.0342 31.2470 177.1763 *131 E 3.1888 8.1848 120.3944 54.9331 30.8274 176.6837 132 K 3.9510 7.1870 116.6313 57.4784 32.3758 176.7977 133 V 4.4433 6.9800 110.4353 59.0762 34.4008 175.5401 134 A 4.0789 8.5183 123.3097 54.3121 18.7147 177.4527 135 L 4.6178 7.9199 118.9563 53.5960 44.3236 175.8222 136 R 4.8139 9.7552 126.5536 54.4096 32.2626 173.7851 137 V 4.9870 8.9948 124.4256 61.2011 33.8591 173.6542 138 C 5.2842 8.5658 128.2749 57.5311 33.8012 173.6562 139 V 4.0272 8.3240 118.4782 61.0832 32.1176 177.0153 140 A 3.9630 8.6663 126.0472 54.4092 18.1114 179.1637 141 D 4.8092 7.8292 112.1674 53.0073 39.8164 176.6626 142 G 3.8273 7.8703 109.5857 45.5511 0.0000 173.5686 143 H 4.1241 9.1232 119.7249 55.5093 30.4312 174.4150 144 P 4.2132 0.0000 0.0000 65.6661 30.8415 178.7979 145 L 3.9091 7.7820 116.7404 57.6041 41.8908 178.7712 146 L 3.8705 7.8723 119.5992 58.0010 42.2208 178.5951 147 A 3.9609 7.9329 120.7510 55.3323 18.0138 179.6014 148 Q 3.9026 7.7285 115.6070 58.8144 28.8032 178.5838 149 R 3.8954 7.4484 117.1647 56.3735 30.5724 177.0505 150 A 4.4341 6.7585 120.6905 52.3315 18.8501 176.8213 151 N 4.9017 8.6664 116.7313 53.3328 38.8405 174.5454 152 Y 4.7948 7.8436 121.3516 56.0683 42.3888 173.3564 153 V 4.6490 7.8041 126.7619 60.9468 33.0883 175.4558 154 T 3.7435 8.3042 118.5823 62.0631 69.4691 175.4105 155 H 4.2453 9.4041 121.1635 58.3985 29.1867 176.5841 156 I 4.1891 8.0398 119.6129 60.1042 38.1055 176.0936 157 K 4.2054 8.3952 123.2656 55.6110 32.5135 176.8577 158 G 4.2524 8.2867 110.1421 46.8055 0.0000 174.9560 159 G 4.1899 8.8857 111.3865 43.7681 0.0000 173.5398 160 H 4.6687 8.2983 114.4671 55.0772 30.1226 173.2089 161 G 3.7377 8.4456 107.9885 45.4652 0.0000 176.0803 162 A 3.8347 8.1792 124.6010 54.7627 18.2506 180.6129 163 V 3.2915 7.4301 116.2392 66.1081 31.6925 177.8981 164 R 3.9164 8.2325 118.5007 59.5077 29.8571 177.8414 165 E 3.6127 8.2745 119.1294 59.3121 29.5293 179.0972 166 V 3.5389 7.5726 117.6361 66.0482 31.4810 177.6453 167 C 4.1136 8.1939 116.5531 63.1351 27.9142 175.9611 168 D 4.4249 8.6573 120.7799 57.0472 40.3150 178.5666 169 L 3.9079 7.9363 120.9424 58.1599 42.1146 179.0718 170 I 3.6498 7.7258 119.5693 64.4862 37.0054 178.3795 171 L 4.0071 8.1576 119.9640 57.7960 41.0946 179.3807 172 Q 4.1873 8.7030 120.8408 58.7252 28.8091 178.2561 173 A 4.0257 7.9637 120.5142 55.0740 18.4854 178.9981 174 R 4.1113 7.8026 113.6564 55.9422 30.3443 176.0963 175 N 4.2322 7.9743 116.2535 54.9931 37.7074 174.0963 176 E 4.4884 8.2563 113.3359 55.2954 29.8454 176.5356 177 L 4.1989 7.2379 121.0277 54.2486 42.7780 173.3913 178 D 4.5232 8.5967 126.6653 54.0699 41.3117 176.4715 179 V 4.2182 8.1259 123.2509 60.8873 33.3336 174.7946 180 H 4.4324 8.6522 121.9578 55.8709 28.4965 175.2095 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 S 8.32 4.44 0.00 3.85 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 3 S 8.51 4.53 0.00 4.06 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 4 T 7.68 4.45 4.36 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 1.28 0.00 0.00 5 V 8.84 4.47 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 1.05 0.00 0.00 0.94 0.00 0.00 6 S 8.79 4.91 0.00 3.79 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 7 T 8.81 5.01 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 8 L 8.50 4.00 0.00 1.18 1.17 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.93 4.63 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.87 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 11 E 8.55 5.28 0.00 1.88 1.88 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 2.23 2.27 0.00 12 V 8.72 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 0.97 0.00 0.00 1.01 0.00 0.00 13 E 8.71 4.37 0.00 1.93 1.89 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 2.43 2.31 0.00 14 P 0.00 4.27 0.00 2.16 2.12 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 15 S 8.23 4.11 0.00 4.06 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 16 L 7.96 3.98 0.00 1.83 1.82 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.86 3.97 0.00 1.89 1.69 0.92 0.94 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 18 E 8.15 3.95 0.00 2.15 2.02 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 2.35 2.36 0.00 19 I 7.69 3.83 2.01 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 1.46 1.10 0.92 0.00 0.00 20 A 8.28 3.99 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 21 K 8.15 3.89 0.00 1.85 2.03 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 22 Q 7.41 4.58 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.64 0.00 23 I 7.41 4.02 1.87 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 1.58 0.80 0.97 0.00 0.00 24 K 9.36 4.64 0.00 1.67 1.80 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 L 7.78 5.11 0.00 1.74 1.50 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.24 5.17 0.00 1.75 1.49 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.86 4.96 1.84 0.00 0.00 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 1.30 0.60 0.84 0.00 0.00 28 C 8.81 4.90 0.00 3.06 2.94 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 29 D 8.31 4.97 0.00 2.98 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 30 V 8.54 4.27 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 1.06 0.00 0.00 0.98 0.00 0.00 31 D 7.86 4.69 0.00 2.74 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 32 G 9.29 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.44 4.19 2.32 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 0.87 0.00 0.00 0.97 0.00 0.00 34 F 8.24 4.16 0.00 3.34 3.26 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 35 S 7.99 5.32 0.00 3.82 3.67 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 36 D 7.38 4.86 0.00 2.73 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 37 G 7.78 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.85 4.34 0.00 1.69 1.19 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.93 4.54 1.85 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 1.33 0.87 0.94 0.00 0.00 40 Y 8.86 4.23 0.00 3.18 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 *42 G 8.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.89 4.63 0.00 2.74 2.90 0.00 0.00 6.85 7.69 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 44 Q 8.66 4.39 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.23 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 45 G 8.11 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 46 E 8.00 4.16 0.00 1.98 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 0.00 2.33 2.38 0.00 47 E 8.46 5.07 0.00 1.95 1.79 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 2.24 2.52 0.00 48 L 9.13 5.02 0.00 1.38 1.31 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.26 4.14 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.89 3.63 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 59 V 7.76 3.62 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 0.91 0.00 0.00 1.15 0.00 0.00 60 K 8.17 3.99 0.00 1.86 1.68 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.44 7.81 61 A 7.90 4.01 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 62 L 7.69 4.24 0.00 2.04 1.69 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *64 N 8.19 4.60 0.00 2.82 2.89 0.00 0.00 7.09 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 65 A 7.66 4.18 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 66 G 8.19 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.96 0.00 0.00 126 D 8.23 4.44 0.00 2.96 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 0.00 127 W 7.89 4.26 0.00 3.29 3.17 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 0.00 128 P 0.00 4.06 0.00 1.89 1.97 0.00 3.78 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 1.99 2.13 0.00 129 V 6.74 3.31 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 0.47 0.00 0.00 0.76 0.00 0.00 *131 E 8.18 3.19 0.00 1.16 1.12 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 1.87 2.07 0.00 132 K 7.19 3.95 0.00 1.45 1.65 0.00 1.28 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.22 7.81 133 V 6.98 4.44 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 0.49 0.00 0.00 0.88 0.00 0.00 134 A 8.52 4.08 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 0.00 135 L 7.92 4.62 0.00 1.81 1.56 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 R 9.76 4.81 0.00 2.05 2.03 0.00 3.32 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 137 V 8.99 4.99 2.30 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 1.16 0.00 0.00 1.10 0.00 0.00 138 C 8.57 5.28 0.00 3.08 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 0.00 139 V 8.32 4.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.07 0.00 0.00 140 A 8.67 3.96 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 0.00 141 D 7.83 4.81 0.00 2.76 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 0.00 142 G 7.87 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 0.00 143 H 9.12 4.12 0.00 3.11 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.21 0.00 2.06 1.99 0.00 3.02 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 1.95 2.07 0.00 145 L 7.78 3.91 0.00 1.68 1.65 0.89 0.86 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 0.00 146 L 7.87 3.87 0.00 1.75 1.76 1.12 1.11 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 0.00 147 A 7.93 3.96 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 0.00 148 Q 7.73 3.90 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 149 R 7.45 3.90 0.00 0.85 0.66 0.00 2.25 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.21 0.00 150 A 6.76 4.43 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 0.00 151 N 8.67 4.90 0.00 2.81 3.02 0.00 0.00 6.60 7.02 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 0.00 152 Y 7.84 4.79 0.00 3.03 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 0.00 153 V 7.80 4.65 1.84 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 0.71 0.00 0.00 0.83 0.00 0.00 154 T 8.30 3.74 4.32 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 1.20 0.00 0.00 155 H 9.40 4.25 0.00 3.21 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.04 4.19 1.84 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 1.47 0.86 0.93 0.00 0.00 157 K 8.40 4.21 0.00 1.83 1.87 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.42 7.81 158 G 8.29 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 0.00 0.00 0.00 0.00 159 G 8.89 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 0.00 0.00 0.00 0.00 160 H 8.30 4.67 0.00 3.24 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.45 3.74 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 0.00 0.00 0.00 162 A 8.18 3.83 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 0.00 163 V 7.43 3.29 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 0.72 0.00 0.00 0.06 0.00 0.00 164 R 8.23 3.92 0.00 2.13 2.12 0.00 3.37 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 165 E 8.27 3.61 0.00 1.39 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 2.13 1.47 0.00 166 V 7.57 3.54 2.17 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 0.95 0.00 0.00 1.06 0.00 0.00 167 C 8.19 4.11 0.00 3.25 3.07 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 0.00 168 D 8.66 4.42 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.94 3.91 0.00 1.65 1.70 0.71 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.73 3.65 1.98 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 1.65 0.77 0.93 0.00 0.00 171 L 8.16 4.01 0.00 1.72 1.75 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.70 4.19 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 173 A 7.96 4.03 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 0.00 174 R 7.80 4.11 0.00 1.96 1.98 0.00 3.29 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 175 N 7.97 4.23 0.00 2.85 2.90 0.00 0.00 6.99 6.95 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 0.00 176 E 8.26 4.49 0.00 2.09 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 2.26 2.39 0.00 177 L 7.24 4.20 0.00 1.67 1.62 1.05 1.27 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 0.00 178 D 8.60 4.52 0.00 2.70 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 0.00 179 V 8.13 4.22 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 0.82 0.00 0.00 1.04 0.00 0.00 180 H 8.65 4.43 0.00 3.26 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.91 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.