NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2310 8.1693 122.4884 54.5268 42.8304 176.9784 3 S 4.1834 8.3118 121.7614 57.7171 64.8746 173.6162 4 K 3.9673 8.6522 121.7133 59.4523 32.1770 180.9086 5 R 3.4911 7.4695 118.6041 59.4300 29.9865 178.2129 6 D 4.3658 7.9044 117.9942 57.0356 40.6662 178.6341 7 A 3.9451 8.1655 121.6588 54.9917 18.2802 179.7294 8 I 3.6086 8.0864 118.7386 64.5494 37.2345 178.6578 9 L 3.7366 7.8897 119.7851 57.4128 41.5178 179.4989 10 K 3.7524 8.1833 119.4657 59.5130 32.1856 178.6017 11 A 4.0609 8.1694 121.0628 55.2144 18.1104 179.5219 12 A 3.5562 7.9190 119.3315 54.9186 18.3984 179.8466 13 V 2.5455 7.4636 116.7614 65.9105 31.4654 178.0730 14 E 3.8749 7.8017 117.6593 59.5023 29.3092 179.6565 15 V 3.5172 7.7238 118.0719 65.9148 31.5784 177.9529 16 F 4.7220 8.2545 117.9088 60.9187 38.6810 177.9869 17 G 3.8213 8.3075 103.9003 47.6435 0.0000 175.2308 18 K 4.2276 8.1244 121.0796 58.1074 32.4314 178.0095 19 K 4.5524 8.2738 115.6999 54.1713 33.9399 176.8734 20 G 4.2161 8.1417 107.8757 44.7693 0.0000 174.2228 21 Y 4.1817 8.6905 119.7538 60.5738 38.9127 177.1157 22 D 4.5614 8.1928 118.1007 56.7647 41.4336 177.8043 23 R 4.0859 7.9936 116.5768 58.1378 30.5977 177.0587 24 A 4.2105 7.8580 121.3343 52.3754 18.6098 177.2511 25 T 4.6813 8.3269 113.0632 59.9066 72.7786 175.8660 26 T 3.8661 8.2862 112.5884 64.2284 69.0252 176.6427 27 D 4.3035 8.0053 122.0349 57.6102 40.9801 177.9530 28 E 3.9317 8.0912 118.8812 59.8166 29.4763 179.8089 29 I 3.6040 7.3193 118.9099 63.9212 37.0487 178.2481 30 A 3.9375 7.9060 121.6882 55.1520 18.2438 179.2461 31 E 3.8151 8.1452 117.6586 59.4129 29.5289 178.7946 32 K 3.8085 7.7602 118.0393 59.4961 32.2691 178.0192 33 A 4.1810 8.0533 119.2903 52.0489 19.0115 177.0016 34 G 3.7719 8.1288 105.0376 46.8656 0.0000 173.6945 35 V 4.5105 7.8555 109.9384 58.5994 36.2007 175.8754 36 A 4.1698 8.4424 124.3828 51.9353 19.1029 178.5831 37 K 4.0097 9.1575 123.4100 59.8957 32.2486 179.5238 38 G 3.9457 8.2572 104.6500 47.4069 0.0000 175.1140 39 L 4.0645 8.4756 123.0394 57.8617 42.0470 178.8738 40 I 3.9125 7.5671 119.8335 64.5238 36.7709 178.3323 41 F 5.2945 7.7563 118.2987 60.0501 38.9528 176.7967 42 H 4.1940 8.2410 117.3606 59.5293 29.7027 176.3620 43 Y 4.0921 7.9037 116.7357 58.0777 38.6022 175.9726 44 F 4.9890 8.0254 118.3326 55.0435 42.2830 175.7543 45 K 4.0204 9.1555 126.8470 59.2833 32.3545 175.5765 46 N 5.2132 7.8357 113.2162 50.8440 39.9609 174.4948 47 K 4.1462 9.0395 117.8066 59.8401 32.0541 178.3203 48 E 4.2183 8.5687 118.4921 59.8396 29.3821 178.9921 49 E 4.1737 9.0577 119.3257 59.0078 29.7325 178.2310 50 L 3.6037 8.8271 120.9203 58.3329 42.0496 178.4366 51 Y 4.0469 8.6931 119.5985 60.8198 38.5606 177.1413 52 Y 4.2324 8.3680 119.3675 61.2227 39.0190 178.0810 53 Q 4.0639 8.4704 117.4060 58.6633 29.1031 178.0207 54 A 4.0107 7.8867 122.0006 55.1190 18.2439 179.7118 55 Y 3.7102 7.8577 115.2486 58.3951 38.7688 177.6825 *57 S 4.2889 8.0398 114.7535 57.7773 64.5799 175.9541 58 V 3.6247 7.6949 119.4038 66.2236 31.2950 178.1989 59 T 3.9851 8.2748 118.1165 67.0588 68.2140 177.1986 60 E 4.0258 7.9690 120.0240 61.0603 29.8979 182.4591 61 K 4.2221 7.9327 119.2728 59.2605 32.2033 179.5205 62 L 3.8843 7.8782 118.9215 57.3830 41.4945 179.5672 63 Q 4.1128 8.0561 120.6552 59.4282 28.5969 179.3578 64 K 4.0161 8.1360 124.7301 59.7583 31.7473 180.5230 65 E 4.1460 8.2136 120.1322 59.5976 29.3579 179.5108 66 F 3.7353 8.0221 119.9440 60.9209 39.1708 177.2614 67 E 3.6524 8.4465 117.8288 59.1423 29.2872 178.6035 68 N 4.3824 8.0117 115.7632 56.3922 38.9275 176.9044 69 F 4.1408 7.8631 121.2998 60.9757 39.4575 177.4367 70 L 4.0046 7.4398 116.7026 55.9297 41.3861 178.1612 *72 K 4.0777 7.9582 119.8118 55.3215 33.8742 175.9648 73 N 4.8597 7.6951 113.5118 52.4841 39.2775 176.3145 74 R 4.0170 8.0229 116.7505 59.0471 29.3796 177.4409 75 N 4.6353 8.0548 113.5838 54.0165 39.0632 175.4719 76 R 4.2613 7.8608 117.7047 55.3517 31.0719 176.4768 77 D 4.4856 8.6197 118.7388 54.5972 42.8088 177.0014 78 I 3.6321 8.3812 125.3959 64.5739 37.9035 177.9189 79 F 4.4537 8.2051 117.0441 60.4325 39.1902 176.7634 80 D 4.6881 8.5609 117.3550 57.2823 40.9816 178.4529 81 F 4.0321 8.8825 117.9405 59.4532 39.4389 175.9518 *83 E 4.3448 8.0856 119.3389 56.0443 31.3919 178.1236 84 R 3.9956 8.2633 117.6789 58.9140 30.1605 178.4931 85 W 3.5723 8.2690 128.3219 60.6341 30.4906 178.0609 86 I 3.2738 7.5658 118.8585 64.0795 36.5639 177.9241 87 E 3.8176 8.0138 120.1814 58.9286 29.3632 178.9697 88 K 3.7457 8.0316 118.8902 59.3001 32.1157 179.0255 89 K 3.1918 7.0368 118.7731 59.5528 31.7955 179.1772 90 L 3.8198 7.7222 118.9306 57.9128 41.5026 179.6332 91 E 3.9480 8.0320 118.4050 59.2684 29.3910 178.5532 92 Y 3.9709 8.1488 119.8734 61.0232 38.6191 178.6256 93 S 4.1579 7.8981 114.4371 61.3479 62.9554 176.2011 94 A 4.1403 7.6758 123.0535 54.3969 18.2610 178.9650 95 S 4.3346 7.7893 110.6445 58.9809 65.1246 174.0365 96 H 4.7674 7.6587 119.7743 53.7289 28.8481 172.9740 97 P 4.2969 0.0000 0.0000 65.7373 31.5913 178.4747 98 E 3.9441 8.0312 117.9893 59.5290 29.5438 178.8540 99 E 4.0497 8.2079 117.8104 59.3887 29.5722 179.2478 100 A 4.0544 8.2185 120.8351 55.3417 18.2544 179.4911 101 D 4.6515 8.0816 117.7831 56.7237 41.1530 178.5331 102 F 4.4695 8.3609 121.3350 61.4636 39.6383 177.1589 103 L 3.5030 7.8878 118.5040 57.6907 41.1585 179.1474 104 I 4.1181 7.1874 117.2652 62.9620 37.5503 177.3941 105 T 4.2094 7.9893 110.5891 62.6177 68.8795 176.0915 106 L 3.8563 7.7889 123.4010 58.8730 41.8345 179.0273 107 V 3.3494 7.4473 116.8176 66.1907 31.9047 176.5245 108 S 4.3993 7.8278 111.4686 58.4933 62.9715 173.9214 109 V 3.7287 6.8985 120.2952 60.8607 33.1090 175.1611 110 D 4.2792 7.7783 121.6695 54.3440 42.7508 177.1994 111 E 3.9245 8.7366 125.9133 59.6064 29.7475 179.6497 112 G 3.5193 8.1234 105.1278 47.3645 0.0000 175.3657 113 L 3.8380 7.8228 122.1421 57.9508 42.1185 178.5790 114 R 3.7977 7.9785 121.2583 60.1582 29.8909 178.8701 115 K 3.8818 8.0645 123.0576 59.9721 31.5662 180.6605 116 R 4.0868 8.0501 120.2730 59.3849 29.8870 178.7171 117 I 3.8695 8.0887 119.7629 64.2957 37.2006 178.3651 118 L 3.9708 8.2097 120.2535 57.8298 41.3619 179.6284 119 L 4.0789 7.9987 118.9502 57.7950 41.5142 179.2398 120 D 4.5024 7.9812 118.9619 56.9615 40.5099 178.7525 121 L 4.0428 7.8712 119.2081 57.7166 42.0297 178.8619 122 E 4.1858 8.0813 118.1458 59.6790 29.2053 179.4480 123 K 3.9689 7.9213 118.1055 59.8134 31.9353 179.4682 124 S 4.3521 8.1381 113.1416 60.5461 63.3577 175.4566 125 Q 4.4588 7.8998 119.6581 55.6639 28.8999 177.5232 126 R 4.1565 7.7491 120.2807 59.4272 30.1899 178.9165 127 V 3.7504 8.0699 118.4681 65.1701 31.0137 178.0268 128 F 4.1117 8.0929 120.4530 61.0978 39.1558 177.1372 129 F 4.1362 8.0422 116.6966 59.9814 38.8563 177.6453 130 D 4.3241 8.6707 119.3957 57.2737 40.6063 178.2693 131 F 4.3210 8.0640 122.5080 60.6297 39.2153 177.3293 132 V 3.1063 7.5339 117.8407 65.8944 31.1322 178.2783 133 R 3.8280 7.6066 114.2471 58.8093 29.4177 178.3473 134 E 3.9787 8.3427 119.9879 59.4408 29.6164 179.5079 135 K 3.8734 7.7055 118.4281 59.2020 31.4071 179.4725 136 L 3.9326 7.9594 119.5800 57.3515 41.2632 179.0217 137 K 4.1590 7.6167 116.4759 57.8883 32.1440 177.2971 138 D 4.6166 7.5040 117.9126 54.6374 41.6139 176.9519 139 L 4.2117 7.1646 118.7523 54.3168 42.3933 177.1547 140 D 4.5887 8.3424 122.0927 53.1238 39.7769 175.3203 141 L 4.3529 7.9373 123.7851 53.6701 42.8682 177.0693 142 A 4.2226 8.2552 124.4510 51.2839 19.2140 176.5869 143 E 4.1076 8.4055 120.4404 58.0267 29.7598 177.0206 144 D 4.6102 8.8980 124.5430 54.3299 38.9717 174.2040 145 V 3.8825 7.4850 119.6119 62.2124 31.2851 176.0863 146 T 4.4683 8.0518 118.3553 60.3151 71.9954 175.0269 147 E 3.9452 8.6206 123.6374 59.8622 29.4950 179.2830 148 E 3.9607 8.0267 118.1770 60.9202 29.8934 182.1614 149 I 3.7249 7.6590 120.6920 64.1172 37.1841 178.3119 150 A 4.0100 8.1033 121.6417 55.1426 17.9797 179.4796 151 L 3.8264 7.7155 117.4675 58.1336 42.2600 178.8513 152 K 3.6225 7.7492 117.4395 59.1909 32.1308 178.5773 153 F 4.1647 7.8612 120.6448 61.2959 39.2076 178.2867 154 L 3.9481 7.7626 115.5762 55.1550 41.3922 179.1314 *156 W 5.1408 7.9462 120.7160 57.0776 31.2121 177.4504 157 F 4.5432 8.8864 119.8669 61.6963 38.7766 177.0659 158 F 4.4066 8.5994 117.7109 60.8961 38.7225 177.8654 159 S 4.3496 8.5015 114.3919 61.4917 62.6948 176.8915 160 G 3.7634 8.3134 108.4019 48.7695 0.0000 175.4126 161 F 4.4739 8.3743 124.0428 60.9716 39.2481 176.6791 162 E 3.6959 8.4274 118.9006 59.3168 29.2890 178.6259 163 E 3.9847 8.2190 118.5087 59.6448 29.5677 179.8958 164 V 3.6452 7.8717 112.3856 64.2667 31.5305 177.6826 165 Y 4.1844 8.0997 119.7040 60.9295 38.2477 178.3839 166 L 3.8541 8.1565 119.4977 57.9394 41.5827 179.6531 167 R 3.6750 8.0231 117.2838 58.9640 29.9874 177.6690 168 T 4.0322 7.4940 113.7885 64.2765 69.9756 174.9877 169 Y 4.4641 7.8346 116.8216 57.3978 39.0872 175.4634 170 Q 4.0198 7.2444 122.9390 57.0635 29.3850 176.7502 171 G 4.0045 8.9417 112.3108 46.0342 0.0000 173.8800 172 K 4.6694 7.8232 118.1838 53.5323 32.4601 175.1693 173 P 4.2882 0.0000 0.0000 66.0486 31.6612 178.5887 174 E 3.9932 8.1296 117.8612 58.9814 29.4555 178.8177 175 L 4.0269 7.9031 120.0978 58.0344 42.0202 178.6382 176 L 3.6298 7.7950 119.4195 57.7610 42.0509 178.7607 177 K 4.0498 7.8299 117.6545 59.4596 32.1141 178.7675 178 R 4.0863 7.6711 117.4475 58.9192 31.5187 177.6601 179 D 4.5870 7.9285 120.5877 52.9459 37.7997 176.3103 *181 N 4.6631 7.7861 120.0087 53.5526 41.4292 177.4779 182 T 3.9043 7.8782 114.2001 66.5770 68.5362 176.6125 183 L 4.2155 8.2282 121.1632 57.9300 41.6198 179.7947 184 V 3.6183 7.7187 117.7390 65.7817 31.5404 177.5706 185 E 3.9078 8.2411 119.1819 59.2467 29.3150 178.3486 186 E 3.9730 8.0603 117.4792 59.6412 29.6543 179.4702 187 V 3.7254 7.6607 116.4982 65.8244 31.9374 177.5590 188 K 4.1146 8.2039 118.5949 59.6763 31.8831 180.9160 189 V 3.5829 7.6566 116.1793 63.3402 31.2933 177.5493 *191 L 4.2538 7.9616 119.0370 54.3489 43.8635 179.4303 192 R 3.7602 8.0540 117.6547 59.2905 29.8730 178.9131 193 I 3.5792 7.8102 119.6278 64.5192 36.8690 178.5363 194 L 3.6630 7.3244 117.9565 57.1864 41.5677 178.8510 195 K 2.7215 7.2289 119.0040 58.9637 32.0845 178.3663 196 K 4.0942 7.8280 118.7481 59.2328 32.1810 178.9750 197 G 3.7696 7.6962 103.9782 44.4448 0.0000 173.2329 *199 T 4.3303 7.3251 109.9125 60.9539 69.9892 173.7490 200 K 4.1506 8.5085 120.2057 57.0232 32.6029 175.9463 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 L 8.17 4.23 0.00 1.58 1.66 0.90 0.60 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 3 S 8.31 4.18 0.00 4.11 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 4 K 8.65 3.97 0.00 1.89 2.00 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.53 7.81 5 R 7.47 3.49 0.00 0.72 1.56 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 6 D 7.90 4.37 0.00 2.69 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 7 A 8.17 3.95 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 8 I 8.09 3.61 2.18 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.96 0.00 0.00 9 L 7.89 3.74 0.00 1.79 1.58 0.95 0.36 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 10 K 8.18 3.75 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.39 7.81 11 A 8.17 4.06 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 12 A 7.92 3.56 1.20 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 0.00 0.00 13 V 7.46 2.55 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.35 0.00 0.00 14 E 7.80 3.87 0.00 2.17 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 2.42 2.25 0.00 15 V 7.72 3.52 1.76 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 0.96 0.00 0.00 0.84 0.00 0.00 16 F 8.25 4.72 0.00 3.61 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 17 G 8.31 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.12 4.23 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 19 K 8.27 4.55 0.00 1.87 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.41 7.81 20 G 8.14 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 21 Y 8.69 4.18 0.00 2.60 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 22 D 8.19 4.56 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.99 4.09 0.00 2.06 2.00 0.00 3.21 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 1.64 1.65 0.00 24 A 7.86 4.21 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 25 T 8.33 4.68 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 1.26 0.00 0.00 26 T 8.29 3.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 D 8.01 4.30 0.00 2.78 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 28 E 8.09 3.93 0.00 2.12 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 2.30 2.33 0.00 29 I 7.32 3.60 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.71 0.76 0.00 0.00 30 A 7.91 3.94 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 31 E 8.15 3.82 0.00 2.04 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 2.28 2.30 0.00 32 K 7.76 3.81 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.46 7.81 33 A 8.05 4.18 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 34 G 8.13 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 0.00 0.00 0.00 35 V 7.86 4.51 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 0.76 0.00 0.00 1.01 0.00 0.00 36 A 8.44 4.17 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 37 K 9.16 4.01 0.00 1.93 2.05 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.64 7.81 38 G 8.26 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 39 L 8.48 4.06 0.00 1.86 1.81 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.57 0.72 0.30 0.00 0.00 118 L 8.21 3.97 0.00 1.78 1.70 0.88 0.62 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 0.00 119 L 8.00 4.08 0.00 1.92 1.74 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.98 4.50 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 0.00 121 L 7.87 4.04 0.00 1.82 1.79 0.96 0.93 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 0.00 122 E 8.08 4.19 0.00 2.24 2.03 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 2.33 2.39 0.00 123 K 7.92 3.97 0.00 2.00 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.70 7.81 124 S 8.14 4.35 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.90 4.46 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.53 0.00 126 R 7.75 4.16 0.00 1.99 2.07 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 127 V 8.07 3.75 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 0.98 0.00 0.00 1.02 0.00 0.00 128 F 8.09 4.11 0.00 2.01 2.73 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 0.00 0.00 0.00 129 F 8.04 4.14 0.00 3.37 3.10 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 0.00 130 D 8.67 4.32 0.00 2.80 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 0.00 131 F 8.06 4.32 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.53 3.11 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 0.97 0.00 0.00 0.18 0.00 0.00 133 R 7.61 3.83 0.00 2.16 2.01 0.00 3.12 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 134 E 8.34 3.98 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 2.27 2.36 0.00 135 K 7.71 3.87 0.00 1.34 1.44 0.00 1.36 0.00 0.00 1.23 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.47 0.21 7.81 136 L 7.96 3.93 0.00 1.71 1.62 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.62 4.16 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.77 7.81 138 D 7.50 4.62 0.00 2.77 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 0.00 139 L 7.16 4.21 0.00 1.68 1.65 1.07 1.08 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 0.00 140 D 8.34 4.59 0.00 2.67 2.57 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 0.00 141 L 7.94 4.35 0.00 1.68 1.68 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.26 4.22 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 0.00 143 E 8.41 4.11 0.00 1.94 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 2.30 2.34 0.00 144 D 8.90 4.61 0.00 2.91 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 0.00 145 V 7.48 3.88 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 0.81 0.00 0.00 0.99 0.00 0.00 146 T 8.05 4.47 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 0.00 147 E 8.62 3.95 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 148 E 8.03 3.96 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 2.31 1.97 0.00 149 I 7.66 3.72 2.00 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 1.39 0.36 0.91 0.00 0.00 150 A 8.10 4.01 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 0.00 151 L 7.72 3.83 0.00 1.67 1.84 0.97 0.54 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 0.00 152 K 7.75 3.62 0.00 1.30 0.74 0.00 1.51 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.43 7.81 153 F 7.86 4.16 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.76 3.95 0.00 1.73 1.20 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *156 W 7.95 5.14 0.00 3.64 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 0.00 157 F 8.89 4.54 0.00 3.31 3.36 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 0.00 158 F 8.60 4.41 0.00 3.21 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 0.00 159 S 8.50 4.35 0.00 4.17 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 0.00 160 G 8.31 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 0.00 0.00 0.00 161 F 8.37 4.47 0.00 2.60 3.02 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 0.00 162 E 8.43 3.70 0.00 2.10 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 0.00 2.32 2.42 0.00 163 E 8.22 3.98 0.00 2.36 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 2.35 2.53 0.00 164 V 7.87 3.65 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 1.02 0.00 0.00 1.20 0.00 0.00 165 Y 8.10 4.18 0.00 2.54 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 0.00 166 L 8.16 3.85 0.00 1.88 1.70 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.02 3.67 0.00 1.92 1.89 0.00 3.20 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 168 T 7.49 4.03 3.36 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 0.51 0.00 0.00 169 Y 7.83 4.46 0.00 2.28 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 0.00 170 Q 7.24 4.02 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 171 G 8.94 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 0.00 172 K 7.82 4.67 0.00 1.92 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.29 7.81 173 P 0.00 4.29 0.00 2.24 2.30 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 174 E 8.13 3.99 0.00 2.00 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 0.00 2.39 2.30 0.00 175 L 7.90 4.03 0.00 1.80 1.93 1.02 0.47 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 0.00 176 L 7.80 3.63 0.00 1.63 1.80 0.36 0.73 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 0.00 177 K 7.83 4.05 0.00 1.92 1.84 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.58 7.81 178 R 7.67 4.09 0.00 1.84 2.16 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 179 D 7.93 4.59 0.00 2.84 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 *181 N 7.79 4.66 0.00 2.78 2.91 0.00 0.00 7.00 7.05 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 0.00 182 T 7.88 3.90 4.43 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 1.27 0.00 0.00 183 L 8.23 4.22 0.00 1.68 1.80 0.55 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.72 3.62 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 1.16 0.00 0.00 0.92 0.00 0.00 185 E 8.24 3.91 0.00 2.15 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 0.00 2.32 2.41 0.00 186 E 8.06 3.97 0.00 2.25 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 0.00 2.40 2.47 0.00 187 V 7.66 3.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.63 0.00 0.00 188 K 8.20 4.11 0.00 2.05 1.89 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.72 7.81 189 V 7.66 3.58 2.21 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 1.10 0.00 0.00 0.98 0.00 0.00 *191 L 7.96 4.25 0.00 1.98 1.98 1.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.05 3.76 0.00 2.00 1.91 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 193 I 7.81 3.58 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.81 0.00 0.00 194 L 7.32 3.66 0.00 1.61 1.58 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.23 2.72 0.00 0.79 1.54 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 0.87 7.81 196 K 7.83 4.09 0.00 1.64 1.70 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 197 G 7.70 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 0.00 0.00 0.00 *199 T 7.33 4.33 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 1.25 0.00 0.00 200 K 8.51 4.15 0.00 1.84 1.77 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.