NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9647 8.3393 109.7234 45.9377 0.0000 172.3556 10 S 4.4479 7.9706 111.8959 56.6032 65.6279 172.5887 11 I 4.7322 9.0633 124.1762 60.6660 39.0830 176.0501 12 T 4.9317 8.5588 122.8194 62.1071 70.3714 174.3101 13 L 4.5059 9.2146 128.7117 53.3750 42.4419 175.2771 14 R 4.9824 8.8908 120.6806 53.1769 31.4558 176.6664 15 G 4.0522 7.8175 110.1471 44.5679 0.0000 171.3062 16 S 4.7457 8.0184 115.8720 57.3240 65.2763 174.4926 17 A 3.9873 8.0168 121.5429 55.6363 18.1602 179.5812 18 E 3.8834 8.2642 115.0209 59.1789 29.6162 179.0254 19 I 3.7450 7.4679 117.8053 63.3823 38.5091 177.3707 20 V 3.8582 7.7623 118.8162 66.1912 31.1234 177.5058 21 A 4.0041 7.8252 119.7720 55.4030 18.2617 178.9362 22 E 3.4144 7.9782 116.6373 59.3719 29.3790 179.0421 23 F 4.3191 7.8639 117.5039 60.5795 38.9665 176.9037 24 F 3.9966 8.4050 120.4160 61.6950 39.1088 176.9039 25 S 3.8032 8.1183 112.4652 61.7504 62.0612 176.4248 26 F 4.7198 7.8078 120.1323 60.6417 38.5544 177.8265 27 G 3.6123 8.3605 105.6844 47.7495 0.0000 175.4755 28 I 3.7958 7.8043 122.1963 63.5523 37.7538 177.8400 29 N 4.3532 8.0963 117.1748 56.4131 38.4569 177.0428 30 S 4.2701 8.1738 114.4570 61.7180 62.3777 176.3529 31 I 3.4429 8.1626 122.6633 64.3918 36.9520 178.4288 32 L 4.2337 7.8971 119.8501 57.7606 41.3624 178.9863 33 Y 3.6921 8.1772 119.6463 60.6246 38.7332 177.6382 34 Q 3.7530 8.4656 117.7809 58.1827 28.6978 177.4412 35 R 4.3187 8.1739 116.1163 55.1608 30.3214 177.0826 36 G 3.9500 7.9372 105.2926 46.3723 0.0000 175.0919 37 I 3.7325 7.2040 119.5643 64.2985 37.3330 176.1396 38 Y 4.6378 7.6818 115.4488 55.7196 39.5051 174.0088 39 P 4.5682 0.0000 0.0000 62.7705 32.4968 176.6711 40 S 4.4074 8.6937 114.4002 61.7190 62.8863 176.6175 41 E 4.3056 8.1466 115.3030 58.1870 29.8128 177.9165 42 T 4.1177 8.2329 117.2536 66.2925 68.8260 174.1655 43 F 5.2385 8.2741 119.2701 56.8567 41.3355 174.8069 44 T 4.6374 8.5318 112.9221 61.3382 71.2018 172.2722 45 R 4.8859 8.3907 123.8650 55.4280 31.4324 176.5820 46 V 4.6423 8.8134 116.3219 59.4806 36.0413 174.3209 47 Q 5.5079 8.5398 121.4355 53.7598 30.7916 174.9080 48 K 4.4082 8.3360 121.7340 56.5165 35.3065 175.1872 49 Y 3.6339 8.9067 121.6662 59.1787 35.0886 170.8961 50 G 3.9260 8.4575 105.6249 45.7654 0.0000 173.8288 51 L 4.7983 7.5361 119.1973 53.2316 44.9640 175.3123 52 T 4.9055 8.2488 116.9055 62.3528 70.1535 174.4749 53 L 4.7218 8.8707 124.8615 52.8902 46.2566 175.3443 54 L 4.8680 8.3772 122.1817 53.9938 42.9449 176.4348 55 V 4.6208 8.4203 115.6797 59.9054 36.5000 174.6898 56 T 3.6594 8.2100 117.7627 61.2000 68.2277 174.3968 57 T 4.4344 7.7376 112.5818 60.4262 69.9722 173.7653 58 D 4.4699 7.6897 122.9934 53.9897 41.9005 176.3060 59 L 3.8624 8.6105 129.2411 58.4586 42.0397 178.0502 60 E 3.6977 8.2463 117.6802 59.7250 29.2736 178.9243 61 L 3.5403 7.5867 118.9062 58.1668 42.2240 178.9939 62 I 3.6144 7.3759 119.3026 64.4349 37.0623 178.0370 63 K 3.7252 7.8026 118.9915 60.2306 31.9277 178.2586 64 Y 3.7997 7.7870 119.1123 60.6814 38.8543 178.0159 65 L 3.8897 8.8781 120.7852 57.7875 41.6805 179.3312 66 N 4.1693 8.0784 117.0946 56.4985 39.1528 176.1877 67 N 4.1494 8.1101 118.5990 56.8330 38.9378 177.1877 68 V 3.7857 7.6097 120.3129 64.9549 31.4604 178.5913 69 V 3.7097 7.6446 118.7455 65.4215 31.1901 177.9524 70 E 3.8123 8.7580 119.0002 59.3807 29.4583 179.0881 71 Q 3.4660 7.7593 118.9177 58.2909 28.9888 177.8735 72 L 4.0197 7.2900 121.3297 57.6587 42.0151 178.3178 73 K 3.8162 8.2327 119.0216 59.6502 32.2003 177.8771 74 D 4.2913 7.5342 118.1757 56.9174 41.1670 178.0956 75 W 4.6739 7.5745 119.0208 59.9513 28.9894 178.5065 76 L 4.1994 8.1168 119.0348 57.3612 41.4086 178.2555 77 Y 4.3913 8.3102 117.0793 58.5610 37.5078 177.3218 78 K 4.1336 7.0880 117.0835 55.7682 34.0077 176.2157 79 C 3.9429 8.6332 115.6219 58.6855 37.9904 174.0349 80 S 4.1592 7.9309 115.9230 58.8567 63.5946 174.7770 81 V 4.7145 7.5497 120.0171 60.1008 32.8526 175.3367 82 Q 4.3932 9.2608 125.2214 57.7577 29.8098 176.0249 83 K 5.0339 7.8796 116.8461 55.2935 36.5231 174.4102 84 L 5.2753 8.7588 122.4991 53.3818 44.1919 175.6514 85 V 4.9224 8.8143 122.5198 61.2568 34.9891 174.0623 86 V 4.6195 9.1855 128.4722 61.7318 33.4951 174.7560 87 V 4.4845 8.3672 127.5034 60.7621 33.1494 173.1134 88 I 4.1491 8.2144 128.1061 60.8410 37.9766 175.1513 89 S 5.1245 8.8465 121.6907 55.8724 66.9564 173.1225 90 N 4.5723 8.8233 120.4521 54.3526 39.2044 175.6971 91 I 3.9192 8.4920 124.9766 63.0603 38.8341 176.5185 92 E 4.2713 8.3466 118.4312 58.4962 30.1145 177.0467 93 S 4.0921 8.1125 112.2094 61.6621 62.5106 173.8367 94 G 4.2026 8.2076 106.8870 45.6212 0.0000 174.2554 95 E 3.9659 8.0328 117.3447 56.0663 29.9397 176.8638 96 V 4.0613 8.2121 121.6351 63.1280 32.3257 175.1028 97 L 4.8206 8.0643 123.0976 55.3112 44.3499 176.8279 98 E 4.7889 7.4037 112.9889 55.7221 31.9183 175.5484 99 R 4.8805 8.4965 120.0585 54.2264 33.4896 175.2560 100 W 4.4177 9.3070 123.0034 55.0312 32.1081 174.1449 101 Q 4.9324 8.4204 126.5517 54.2023 31.1927 173.8588 102 F 5.4260 9.4540 125.6968 56.0430 41.4321 174.3531 103 D 5.0965 9.2559 124.9377 53.4053 42.4696 175.5835 104 I 4.7166 8.1052 123.7056 59.9435 39.2057 175.7030 105 E 4.4777 8.9394 128.5025 54.6167 29.9034 171.9832 106 C 4.8643 8.4556 124.1084 55.3398 44.4313 171.7429 107 D 4.9837 8.3998 126.8903 52.1918 42.3866 176.2946 108 K 4.1577 8.6839 123.5799 57.5752 32.9963 176.4517 109 T 4.4801 7.7282 110.8104 61.0970 71.5459 173.1165 *120 S 4.4340 8.3257 114.3051 58.9379 63.6582 174.4310 121 Q 4.2509 8.6261 115.9098 58.6191 28.9709 177.8528 122 K 3.8265 8.3217 120.2035 59.9666 31.8574 177.7458 123 A 4.0251 8.0597 120.4118 54.9842 18.3782 179.0959 124 I 3.7593 7.8283 116.5691 64.6815 37.4125 178.1532 125 Q 4.0341 8.1917 118.6043 59.6106 28.6711 179.5097 126 D 4.4092 7.9516 119.2597 57.2975 40.8972 178.5177 127 E 3.8028 7.9403 118.7310 59.4803 29.4935 179.0443 128 I 3.6920 7.7348 119.4224 64.8565 37.2348 178.1601 129 R 3.9442 7.7947 118.0526 59.7549 29.9413 178.9623 130 S 3.9769 8.1305 113.4819 61.8405 62.5738 176.6625 131 V 3.6587 7.7513 121.2778 65.8513 31.3072 177.8662 132 I 3.7573 8.0202 119.4111 64.5542 36.9746 178.4534 133 R 3.9132 8.8566 119.9538 59.7773 29.9324 178.1445 134 Q 4.0500 8.5911 118.1526 58.8646 28.7290 178.6590 135 I 4.1186 8.4598 120.6914 65.2849 37.1346 178.5631 136 T 3.9161 8.1247 114.8741 66.7289 68.8018 176.6000 137 A 4.0564 8.2867 122.4756 54.9980 18.1825 179.9413 138 T 3.9282 8.0848 115.0323 66.8233 68.7873 177.2743 139 V 3.7227 8.1135 120.9194 65.0598 30.8310 178.2808 140 T 3.7487 7.1379 115.1388 66.3463 68.3428 175.0125 141 F 4.9301 8.2796 116.9696 57.9870 39.7005 176.2818 142 L 4.3261 7.2492 120.6368 53.3612 42.1332 175.0549 143 P 4.5516 0.0000 0.0000 61.9280 32.2510 175.8203 144 L 4.1481 8.1233 120.9389 54.8631 42.6263 176.6516 145 L 4.4267 8.2614 124.9731 54.9027 42.3730 177.1498 146 E 4.6549 8.4490 114.6051 56.6503 32.4458 174.6288 147 V 4.4658 7.3577 111.8586 59.1857 35.0963 174.6687 148 S 4.6756 8.3995 117.5111 59.0739 63.8138 173.1866 149 C 5.0807 8.0901 113.8776 58.0523 33.0598 172.9028 150 S 5.3450 8.7975 115.0716 56.7940 65.7945 172.8422 151 F 4.8999 9.2487 120.7522 56.2408 41.3167 174.8497 152 D 4.9969 8.1206 120.3352 52.5517 44.3906 174.3951 153 L 5.0037 9.2469 127.1402 54.3023 44.1018 175.4258 154 L 4.8605 9.0203 125.9022 53.1060 44.5413 175.6431 155 I 4.4163 8.5672 126.5584 60.5745 38.5683 174.8443 156 Y 4.9201 8.8987 126.4973 56.9326 39.3582 175.1629 157 T 5.0761 8.3014 113.5351 59.2260 72.8178 172.9677 158 D 4.8748 8.5354 121.3460 54.1632 41.3621 177.9563 159 K 4.0096 8.8001 123.9650 58.5134 32.6602 176.2343 160 D 4.9432 7.1895 118.9281 51.6121 41.3383 175.7258 161 L 4.3686 7.6536 119.0495 54.2890 45.0196 175.3560 162 V 3.9727 8.6493 119.9903 62.1981 31.4254 176.3628 163 V 3.7595 7.3470 120.8278 61.8551 31.1777 174.5916 164 P 4.6140 0.0000 0.0000 61.9302 32.3152 177.2547 165 E 4.0726 8.9847 119.2502 59.3518 29.7043 179.5325 166 K 4.0657 8.1448 118.4382 59.1439 33.0399 178.9065 167 W 4.1630 8.2921 119.9944 58.4874 29.2783 175.4977 168 E 4.7165 7.9504 115.9810 55.7109 29.8814 173.6681 169 E 3.9253 8.3548 126.0895 57.1432 29.6932 175.5908 170 S 4.1112 8.0682 114.7646 60.5789 63.8791 175.1603 171 G 4.5614 7.3872 110.3530 43.2736 0.0000 170.9219 172 P 4.7870 0.0000 0.0000 61.9969 33.0439 175.2677 173 Q 5.4054 8.4814 119.3211 55.6282 31.8750 172.8715 174 F 5.1194 8.9671 113.7531 55.5625 41.7206 173.3483 175 I 4.9105 8.4551 119.2196 60.1097 40.6783 176.1363 176 T 4.5110 8.4292 121.2867 62.4946 70.5071 173.5363 177 N 4.4996 8.8703 124.6633 54.2052 39.6432 175.5648 178 S 4.1477 7.8070 112.9550 58.4516 63.2196 173.7558 179 E 4.0177 8.4461 124.7046 57.0728 30.0154 176.8778 180 E 4.0077 8.8891 117.8873 56.1005 27.4490 174.8261 181 V 4.1983 7.0358 117.0610 60.5645 33.8606 174.9527 182 R 4.0752 8.6137 127.0751 59.3750 30.9005 177.1524 183 L 4.1355 7.7010 119.2729 55.6688 42.3207 176.8717 184 R 4.7711 8.9416 122.4519 56.8122 34.0345 175.7756 185 S 4.8628 7.7235 112.6823 56.6495 66.6340 172.8822 186 F 5.3175 8.3901 126.5113 56.4506 41.8409 173.8845 187 T 5.4251 9.1661 115.7293 60.6216 72.1632 173.0694 188 T 5.4966 9.4225 121.6355 62.9063 71.9226 173.6581 189 T 5.2615 8.7794 118.9037 62.8035 73.6902 172.6790 190 I 4.6564 8.5216 127.1407 60.4358 38.9467 175.2245 191 H 4.5631 9.1576 124.9257 53.6427 30.4970 173.2720 192 K 4.5398 8.4012 123.5574 56.0595 32.6173 177.1802 193 V 4.1744 8.4704 125.6078 62.0727 34.1915 175.7882 194 N 4.0827 8.7519 127.1437 54.6264 37.7916 173.0523 195 S 4.8404 7.9542 108.9749 58.5649 65.2824 173.8970 196 M 4.8259 8.3998 120.6481 53.5395 35.1680 175.4269 197 V 4.1728 8.1902 120.3613 60.9054 34.1981 174.6162 198 A 4.3541 8.4426 130.4808 51.6634 19.2959 175.7181 199 Y 4.7663 8.4361 119.4031 56.0628 41.6468 174.3948 200 K 4.8858 8.4133 119.8123 55.2384 35.6714 176.1347 201 I 4.7041 7.8458 117.3936 59.6695 37.9205 174.2055 202 P 4.3186 0.0000 0.0000 63.0708 32.1575 177.2994 203 V 3.9893 8.1763 120.4613 63.0774 31.7563 175.0487 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 9 G 8.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.97 4.45 0.00 4.08 3.72 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 11 I 9.06 4.73 2.11 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 1.21 0.00 0.00 12 T 8.56 4.93 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 1.28 0.00 0.00 13 L 9.21 4.51 0.00 1.61 1.68 0.91 0.55 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 0.00 14 R 8.89 4.98 0.00 1.81 1.92 0.00 3.19 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 15 G 7.82 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.75 0.00 4.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.02 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.26 3.88 0.00 1.93 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 2.32 2.33 0.00 19 I 7.47 3.75 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 1.10 0.00 0.00 20 V 7.76 3.86 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 1.10 0.00 0.00 1.12 0.00 0.00 21 A 7.83 4.00 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 22 E 7.98 3.41 0.00 1.73 1.48 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 1.47 2.04 0.00 23 F 7.86 4.32 0.00 3.31 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 24 F 8.40 4.00 0.00 2.99 3.22 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 25 S 8.12 3.80 0.00 3.70 3.62 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 26 F 7.81 4.72 0.00 3.38 3.03 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 27 G 8.36 3.61 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 0.00 0.00 0.00 28 I 7.80 3.80 1.18 0.00 0.00 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 1.62 1.38 0.65 0.00 0.00 29 N 8.10 4.35 0.00 3.18 3.04 0.00 0.00 6.49 7.48 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 30 S 8.17 4.27 0.00 4.14 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 31 I 8.16 3.44 1.72 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 -0.09 0.00 0.00 32 L 7.90 4.23 0.00 2.10 2.07 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.18 3.69 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.47 3.75 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 35 R 8.17 4.32 0.00 2.01 2.05 0.00 3.56 0.00 0.00 3.47 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 36 G 7.94 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 37 I 7.20 3.73 2.20 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.03 0.94 0.00 0.00 38 Y 7.68 4.64 0.00 3.47 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.57 0.00 2.16 2.25 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 40 S 8.69 4.41 0.00 3.95 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 41 E 8.15 4.31 0.00 2.13 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 2.36 2.33 0.00 42 T 8.23 4.12 5.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 43 F 8.27 5.24 0.00 2.69 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 44 T 8.53 4.64 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 1.18 0.00 0.00 45 R 8.39 4.89 0.00 1.70 1.79 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 46 V 8.81 4.64 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 0.75 0.00 0.00 0.91 0.00 0.00 47 Q 8.54 5.51 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 48 K 8.34 4.41 0.00 1.82 1.83 0.00 1.94 0.00 0.00 2.38 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.21 7.81 49 Y 8.91 3.63 0.00 3.20 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 50 G 8.46 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 51 L 7.54 4.80 0.00 1.70 1.53 0.95 1.15 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 52 T 8.25 4.91 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 1.16 0.00 0.00 53 L 8.87 4.72 0.00 1.18 1.14 -0.71 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.38 4.87 0.00 1.40 1.53 0.78 0.11 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 55 V 8.42 4.62 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 0.82 0.00 0.00 0.86 0.00 0.00 56 T 8.21 3.66 3.30 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 0.84 0.00 0.00 57 T 7.74 4.43 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 58 D 7.69 4.47 0.00 2.81 2.43 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 59 L 8.61 3.86 0.00 1.76 1.62 0.87 0.93 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 60 E 8.25 3.70 0.00 1.93 1.68 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 2.56 2.45 0.00 61 L 7.59 3.54 0.00 1.49 1.51 0.98 0.25 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 62 I 7.38 3.61 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.81 0.00 0.00 63 K 7.80 3.73 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81 64 Y 7.79 3.80 0.00 2.60 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 65 L 8.88 3.89 0.00 1.70 1.64 0.86 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.08 4.17 0.00 3.04 2.78 0.00 0.00 6.66 6.04 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 67 N 8.11 4.15 0.00 2.77 2.63 0.00 0.00 7.09 7.33 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 68 V 7.61 3.79 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 0.72 0.00 0.00 1.20 0.00 0.00 69 V 7.64 3.71 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 0.97 0.00 0.00 1.07 0.00 0.00 70 E 8.76 3.81 0.00 1.86 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 2.43 2.37 0.00 71 Q 7.76 3.47 0.00 2.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 72 L 7.29 4.02 0.00 1.90 1.81 1.06 0.57 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 73 K 8.23 3.82 0.00 1.77 1.93 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 74 D 7.53 4.29 0.00 2.61 2.27 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 75 W 7.57 4.67 0.00 3.52 3.05 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 0.00 0.00 0.00 76 L 8.12 4.20 0.00 2.08 1.77 0.97 0.68 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 77 Y 8.31 4.39 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.09 4.13 0.00 1.56 1.17 0.00 1.64 0.00 0.00 1.46 0.00 0.00 3.39 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.01 1.42 7.81 79 C 8.63 3.94 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.93 4.16 0.00 3.81 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 81 V 7.55 4.71 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 0.81 0.00 0.00 0.97 0.00 0.00 82 Q 9.26 4.39 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 83 K 7.88 5.03 0.00 1.93 1.81 0.00 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0.00 0.00 0.00 0.00 2.44 2.79 0.00 135 I 8.46 4.12 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.02 0.83 0.00 0.00 136 T 8.12 3.92 4.48 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 1.23 0.00 0.00 137 A 8.29 4.06 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 0.00 138 T 8.08 3.93 4.75 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 0.84 0.00 0.00 139 V 8.11 3.72 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 1.20 0.00 0.00 0.99 0.00 0.00 140 T 7.14 3.75 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 0.37 0.00 0.00 141 F 8.28 4.93 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.25 4.33 0.00 1.86 1.65 1.11 0.90 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 0.00 143 P 0.00 4.55 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 144 L 8.12 4.15 0.00 1.62 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.26 4.43 0.00 1.71 1.61 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.45 4.65 0.00 2.02 1.98 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 2.19 2.33 0.00 147 V 7.36 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 148 S 8.40 4.68 0.00 3.74 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 0.00 149 C 8.09 5.08 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 5.35 0.00 3.95 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 0.00 151 F 9.25 4.90 0.00 2.31 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 0.00 0.00 0.00 152 D 8.12 5.00 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.25 5.00 0.00 2.35 1.96 1.52 0.92 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 0.00 154 L 9.02 4.86 0.00 1.75 1.18 0.93 0.55 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 0.00 155 I 8.57 4.42 1.68 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 1.35 1.23 0.82 0.00 0.00 156 Y 8.90 4.92 0.00 3.20 2.85 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 0.00 157 T 8.30 5.08 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 0.75 0.00 0.00 158 D 8.54 4.87 0.00 2.78 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 0.00 159 K 8.80 4.01 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 160 D 7.19 4.94 0.00 2.79 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 0.00 161 L 7.65 4.37 0.00 1.55 1.50 0.34 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.65 3.97 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 1.01 0.00 0.00 1.03 0.00 0.00 163 V 7.35 3.76 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 0.74 0.00 0.00 0.98 0.00 0.00 164 P 0.00 4.61 0.00 2.52 2.19 0.00 4.08 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 165 E 8.98 4.07 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 166 K 8.14 4.07 0.00 1.91 2.10 0.00 1.00 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 167 W 8.29 4.16 0.00 3.74 3.40 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 0.00 168 E 7.95 4.72 0.00 2.07 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 2.41 2.32 0.00 169 E 8.35 3.93 0.00 2.14 2.07 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 2.18 2.29 0.00 170 S 8.07 4.11 0.00 4.03 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 0.00 171 G 7.39 4.56 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 0.00 0.00 0.00 172 P 0.00 4.79 0.00 1.96 1.66 0.00 3.63 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.71 0.00 173 Q 8.48 5.41 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 174 F 8.97 5.12 0.00 2.98 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 0.00 175 I 8.46 4.91 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.89 0.00 0.00 176 T 8.43 4.51 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 1.23 0.00 0.00 177 N 8.87 4.50 0.00 2.66 2.83 0.00 0.00 7.25 7.63 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 0.00 178 S 7.81 4.15 0.00 4.02 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 0.00 179 E 8.45 4.02 0.00 2.05 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 2.37 2.39 0.00 180 E 8.89 4.01 0.00 2.18 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 0.00 2.18 2.23 0.00 181 V 7.04 4.20 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 0.21 0.00 0.00 0.58 0.00 0.00 182 R 8.61 4.08 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 183 L 7.70 4.14 0.00 1.49 1.27 0.69 0.99 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 0.00 184 R 8.94 4.77 0.00 1.69 1.82 0.00 3.28 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 1.66 1.64 0.00 185 S 7.72 4.86 0.00 3.89 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 0.00 186 F 8.39 5.32 0.00 2.64 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 0.00 0.00 0.00 187 T 9.17 5.43 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 188 T 9.42 5.50 4.74 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 1.76 0.00 0.00 189 T 8.78 5.26 4.38 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 1.34 0.00 0.00 190 I 8.52 4.66 1.86 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.64 0.00 0.00 191 H 9.16 4.56 0.00 2.16 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.40 4.54 0.00 1.60 1.72 0.00 1.88 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.35 7.81 193 V 8.47 4.17 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 0.81 0.00 0.00 1.15 0.00 0.00 194 N 8.75 4.08 0.00 2.92 2.81 0.00 0.00 6.64 7.57 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 0.00 195 S 7.95 4.84 0.00 3.91 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 0.00 196 M 8.40 4.83 0.00 1.97 1.95 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 2.48 2.42 0.00 197 V 8.19 4.17 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 0.41 0.00 0.00 0.94 0.00 0.00 198 A 8.44 4.35 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 0.00 199 Y 8.44 4.77 0.00 2.89 2.82 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 0.00 200 K 8.41 4.89 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.43 7.81 201 I 7.85 4.70 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.91 0.00 0.00 202 P 0.00 4.32 0.00 2.05 2.01 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 203 V 8.18 3.99 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 0.80 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.