NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9501 8.3431 109.7353 45.3822 0.0000 171.8320 *2 G 4.0253 7.9239 110.0610 44.7751 0.0000 175.2136 3 K 3.8946 8.8654 125.7291 59.0810 31.6714 177.6340 4 R 3.9188 8.1902 118.6452 59.7640 29.8702 178.0885 5 D 4.2775 7.8523 118.2900 57.3428 40.7102 178.5037 6 D 4.3423 7.9218 118.9705 57.1757 40.8117 178.6338 7 L 3.2991 7.8123 119.5165 57.6322 41.4793 179.6290 8 I 3.3761 7.5279 119.5897 64.0932 36.9324 178.2996 9 A 3.8607 7.8564 121.6037 55.1969 18.1120 179.4850 10 Q 3.8072 7.8246 118.1035 59.4117 29.0337 178.0709 11 Y 4.2516 7.7993 117.9300 61.0874 37.8907 178.3543 12 A 3.8647 8.1923 121.9321 55.1263 18.4682 179.1968 13 D 4.2298 8.2621 116.5927 57.5767 41.2447 178.2028 14 D 4.4362 8.4300 119.6578 57.3166 40.9201 178.6781 15 L 3.7779 7.9292 119.5043 57.7056 41.7507 179.6769 16 R 3.8647 7.9182 118.3656 59.4554 29.9912 177.8573 17 N 4.7260 8.4727 113.8408 53.8494 39.1072 176.0032 18 K 4.5004 8.2344 118.3757 56.6235 34.1811 176.6357 19 C 4.4716 7.5361 113.0003 58.3881 29.3888 173.1409 20 G 3.5376 7.4185 111.1685 46.2040 0.0000 172.0996 *22 E 4.0766 8.0060 115.3563 54.9742 31.2029 174.8304 23 P 4.3239 0.0000 0.0000 61.6674 32.2143 175.9522 24 D 4.5700 9.0862 121.7252 53.2338 43.0526 176.7407 *26 A 4.2718 8.3540 122.7360 52.1310 20.4689 178.8913 27 L 3.9553 8.2467 117.1101 58.1372 42.0293 178.8103 28 L 4.0963 8.5177 120.7851 58.3074 42.0215 178.7558 29 E 3.9811 8.1823 117.9658 59.4498 29.4552 179.4174 30 K 4.0749 8.0070 118.2474 59.3643 31.8894 179.6648 31 V 3.2871 7.6749 117.9322 66.0919 31.8508 177.8517 32 T 4.0098 8.1252 115.7012 66.6040 68.3620 176.4605 33 K 4.1274 8.3140 121.5935 59.5402 32.0402 179.0659 34 G 3.9320 8.2698 104.7089 47.7581 0.0000 175.1015 35 C 4.4301 7.9617 117.7741 61.5264 28.8317 176.0822 36 G 3.8729 8.6323 109.8174 46.2568 0.0000 174.1310 37 P 4.6177 0.0000 0.0000 64.5743 31.6208 177.9535 38 A 4.0369 8.2339 121.4078 55.5973 17.8705 179.3662 39 I 3.6271 7.1046 109.8349 63.8313 37.6082 177.2443 40 Y 4.5601 7.6289 115.9309 57.1118 38.4564 174.6038 41 N 4.7761 7.4812 120.0180 51.7224 39.9099 174.6605 42 R 3.9403 8.8989 126.6459 60.0298 30.5317 177.1648 43 D 4.4430 8.2442 116.5178 57.2978 41.0589 178.6822 44 A 4.0898 8.4234 121.0536 54.4554 18.6356 178.6642 45 S 4.3348 8.3761 110.8257 60.1076 63.5251 173.7021 46 T 5.0188 7.2064 109.6831 59.7088 71.7776 173.3149 47 V 4.4835 8.3544 122.1224 61.0551 33.9083 175.3317 48 A 4.2283 8.8040 129.9476 50.6785 18.0509 178.1345 49 G 3.6158 8.7763 111.3906 48.6731 0.0000 172.8795 50 S 4.5489 7.9242 111.7162 57.8746 63.7797 173.4869 51 D 4.6640 7.9449 122.3105 53.4510 41.9079 176.7615 52 T 3.8639 8.5370 118.4063 64.9013 68.7895 176.0935 53 A 3.9638 7.9969 123.1119 54.7434 18.4497 178.7928 54 E 3.8935 8.6781 118.0262 59.6958 29.6478 179.2138 55 L 4.0456 7.8690 118.5477 57.8939 41.6572 179.3788 56 E 4.0100 8.4114 118.5755 59.6057 29.2916 179.6399 57 T 3.9386 8.0699 115.9711 66.5405 68.5167 176.8640 58 I 3.8142 8.0370 121.9122 64.2085 36.9325 178.2519 59 K 3.9064 8.0219 119.4291 59.4829 32.1595 178.6584 60 K 4.0965 8.0243 117.6491 59.8576 32.9286 178.2124 61 N 4.5685 8.6390 117.7064 54.8159 38.8973 176.9072 62 F 4.1579 7.8360 121.1922 60.5973 39.9777 177.1545 63 L 3.6474 7.8058 116.1105 56.0346 40.9608 178.6688 *65 K 4.0686 7.7386 119.9579 56.3419 33.8485 176.8071 66 K 3.9249 7.7392 118.0147 59.4257 32.1019 178.0869 67 L 3.7692 7.4492 116.7717 55.2324 41.7375 178.0616 68 G 3.7659 7.9129 105.7576 45.8398 0.0000 173.3782 69 L 3.9866 7.5228 119.1666 53.7006 42.1564 177.2399 70 A 4.1191 8.1357 125.5577 51.4868 19.1319 176.7375 71 D 4.3759 8.3961 120.4943 54.3308 41.9421 175.7826 72 S 4.5684 8.2313 121.2699 57.8942 65.4381 176.1508 73 E 4.0953 8.8112 117.4116 58.8065 29.7101 178.9950 74 S 4.4167 7.7181 113.1021 61.5841 63.2698 176.3288 75 L 4.2605 8.0993 118.0622 56.0383 41.2137 178.6415 *77 G 3.9355 8.1921 110.0268 45.6310 0.0000 175.9442 78 G 3.3945 8.6587 107.3896 47.3499 0.0000 175.7260 79 I 3.8029 7.9479 122.4077 64.4762 37.1885 178.5121 80 Q 4.0348 8.1007 118.1429 58.8790 28.5097 178.6990 81 S 4.0593 8.1441 114.0777 61.6806 62.5334 176.7162 82 V 3.7324 7.9263 114.6027 63.8552 31.3178 178.7591 83 I 3.8314 7.8740 120.1959 64.2503 36.7041 177.8824 84 E 3.9775 8.1759 119.2535 59.6010 29.5261 178.6958 85 T 4.0355 7.9291 114.9022 66.8188 68.5895 175.7190 86 Y 4.4538 7.9707 120.5492 60.0187 39.1085 174.9713 87 G 3.8680 8.0930 109.4795 44.3136 0.0000 174.4864 88 R 3.8207 8.7668 127.5473 58.8224 30.2014 177.1798 89 S 4.4619 7.8286 109.4771 57.7935 63.5638 173.5363 90 E 3.9329 7.8771 123.6192 56.4838 29.5733 177.0153 91 R 3.9944 8.5600 125.7403 58.3827 30.5284 176.5398 92 N 4.3930 7.8456 115.3905 50.9714 38.1797 172.7332 93 K 3.1559 7.2226 119.1321 54.4314 31.8334 175.7464 94 Y 4.5580 8.1421 122.9445 57.4172 39.3923 176.8136 95 R 3.4830 8.6890 125.0799 59.4887 30.0889 178.7406 96 A 3.6965 7.3384 119.8298 54.8809 18.0240 179.6830 97 V 3.3367 7.1090 115.3530 65.9770 31.8105 177.9136 98 V 3.8471 7.6964 116.7915 66.4257 31.6662 177.3033 99 Y 4.1606 8.3254 116.8340 60.9633 37.5464 178.2330 100 Y 4.2373 8.0921 116.8605 58.6383 38.6586 177.5164 *102 L 4.4530 7.8529 120.1603 54.8653 44.0710 179.2808 103 T 4.0651 8.4543 115.1639 66.7726 68.8737 176.8168 104 K 4.0462 8.1286 120.7996 59.6444 32.2970 178.8987 105 H 3.9069 8.2177 117.2291 58.8851 29.7207 175.5876 106 F 4.6269 8.2139 114.9970 56.5802 39.0071 175.6647 107 G 4.0168 7.7462 108.6296 47.1613 0.0000 175.0215 108 K 4.5990 8.1151 115.8697 55.9914 33.1906 177.8346 109 E 4.1700 8.3358 122.3230 59.4696 29.3449 178.6594 110 S 4.1248 8.2600 114.0447 61.7166 62.4177 176.6430 111 V 3.4646 7.5506 120.7134 65.4917 31.2081 176.5931 112 Y 4.4478 7.9220 113.7624 57.0858 38.1830 175.7876 113 G 4.1893 7.9587 114.9160 45.9756 0.0000 173.6699 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 0 G 8.34 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 *2 G 7.92 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 3 K 8.87 3.89 0.00 1.88 1.97 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.52 7.81 4 R 8.19 3.92 0.00 2.12 1.99 0.00 3.37 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 5 D 7.85 4.28 0.00 2.82 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 6 D 7.92 4.34 0.00 2.74 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 7 L 7.81 3.30 0.00 1.40 0.77 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.53 3.38 1.74 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 1.44 0.65 0.86 0.00 0.00 9 A 7.86 3.86 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 10 Q 7.82 3.81 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 11 Y 7.80 4.25 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.19 3.86 1.27 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 13 D 8.26 4.23 0.00 2.81 2.80 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 14 D 8.43 4.44 0.00 3.04 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 15 L 7.93 3.78 0.00 1.67 1.55 0.07 0.49 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 16 R 7.92 3.86 0.00 1.86 1.88 0.00 3.06 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 17 N 8.47 4.73 0.00 2.79 2.86 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.23 4.50 0.00 1.93 1.99 0.00 1.91 0.00 0.00 2.01 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.45 7.81 19 C 7.54 4.47 0.00 3.14 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 20 G 7.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.08 0.00 2.03 1.83 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 2.13 1.88 0.00 23 P 0.00 4.32 0.00 2.04 1.86 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 24 D 9.09 4.57 0.00 2.80 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 *26 A 8.35 4.27 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 27 L 8.25 3.96 0.00 1.83 1.97 0.80 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.52 4.10 0.00 1.63 1.61 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.18 3.98 0.00 2.21 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 2.41 2.41 0.00 30 K 8.01 4.07 0.00 1.90 2.00 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.63 7.81 31 V 7.67 3.29 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 0.96 0.00 0.00 0.31 0.00 0.00 32 T 8.13 4.01 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 K 8.31 4.13 0.00 1.99 2.04 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 34 G 8.27 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 35 C 7.96 4.43 0.00 3.16 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 36 G 8.63 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 37 P 0.00 4.62 0.00 2.38 2.42 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 38 A 8.23 4.04 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 39 I 7.10 3.63 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.83 0.00 0.00 40 Y 7.63 4.56 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.48 4.78 0.00 2.80 2.86 0.00 0.00 6.67 7.72 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 42 R 8.90 3.94 0.00 1.82 1.99 0.00 3.37 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 43 D 8.24 4.44 0.00 2.83 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 44 A 8.42 4.09 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 45 S 8.38 4.33 0.00 4.13 4.49 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 46 T 7.21 5.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 47 V 8.35 4.48 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.84 0.00 0.00 48 A 8.80 4.23 1.24 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 0.00 0.00 0.00 49 G 8.78 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 0.00 0.00 0.00 50 S 7.92 4.55 0.00 3.95 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 51 D 7.94 4.66 0.00 2.82 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 52 T 8.54 3.86 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 1.22 0.00 0.00 53 A 8.00 3.96 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 54 E 8.68 3.89 0.00 2.17 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 0.00 2.56 2.44 0.00 55 L 7.87 4.05 0.00 1.79 1.74 0.98 0.91 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 56 E 8.41 4.01 0.00 2.00 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 2.59 2.51 0.00 57 T 8.07 3.94 4.44 0.00 0.00 0.00 0.00 0.00 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 58 I 8.04 3.81 2.11 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 1.68 0.91 1.06 0.00 0.00 59 K 8.02 3.91 0.00 1.77 2.04 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 60 K 8.02 4.10 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.48 7.81 61 N 8.64 4.57 0.00 2.92 2.95 0.00 0.00 6.64 7.79 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 62 F 7.84 4.16 0.00 2.63 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 63 L 7.81 3.65 0.00 1.78 1.36 0.91 0.70 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 *65 K 7.74 4.07 0.00 2.03 2.05 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.01 7.81 66 K 7.74 3.92 0.00 1.71 1.58 0.00 1.94 0.00 0.00 2.01 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.22 7.81 67 L 7.45 3.77 0.00 1.49 1.44 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.91 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 0.00 0.00 0.00 69 L 7.52 3.99 0.00 1.49 1.32 0.20 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.14 4.12 1.18 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 0.00 0.00 0.00 71 D 8.40 4.38 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.23 4.57 0.00 4.00 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 73 E 8.81 4.10 0.00 2.01 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 2.23 1.87 0.00 74 S 7.72 4.42 0.00 4.32 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 75 L 8.10 4.26 0.00 1.80 1.67 0.80 0.37 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 *77 G 8.19 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.66 3.39 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 0.00 79 I 7.95 3.80 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 0.98 0.00 0.00 80 Q 8.10 4.03 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 81 S 8.14 4.06 0.00 3.94 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 82 V 7.93 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 0.79 0.00 0.00 1.10 0.00 0.00 83 I 7.87 3.83 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.23 0.91 0.00 0.00 84 E 8.18 3.98 0.00 2.05 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 0.00 2.33 2.41 0.00 85 T 7.93 4.04 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 1.21 0.00 0.00 86 Y 7.97 4.45 0.00 3.16 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 87 G 8.09 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 88 R 8.77 3.82 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 89 S 7.83 4.46 0.00 3.99 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 90 E 7.88 3.93 0.00 1.83 1.77 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 1.85 1.90 0.00 91 R 8.56 3.99 0.00 2.02 1.89 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 92 N 7.85 4.39 0.00 2.41 1.99 0.00 0.00 7.02 6.90 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 93 K 7.22 3.16 0.00 1.64 1.32 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.08 7.81 94 Y 8.14 4.56 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.48 0.00 1.58 1.56 0.00 2.81 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.66 0.00 96 A 7.34 3.70 0.59 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 0.00 0.00 97 V 7.11 3.34 2.34 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 0.40 0.00 0.00 0.91 0.00 0.00 98 V 7.70 3.85 2.19 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 1.04 0.00 0.00 1.14 0.00 0.00 99 Y 8.33 4.16 0.00 2.69 2.50 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 0.00 100 Y 8.09 4.24 0.00 3.02 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 *102 L 7.85 4.45 0.00 2.30 2.18 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.45 4.07 4.39 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 1.40 0.00 0.00 104 K 8.13 4.05 0.00 1.69 1.76 0.00 1.57 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.95 1.17 7.81 105 H 8.22 3.91 0.00 2.92 3.19 0.00 5.91 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 0.00 106 F 8.21 4.63 0.00 3.14 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 0.00 107 G 7.75 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 0.00 108 K 8.12 4.60 0.00 1.81 1.77 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.53 7.81 109 E 8.34 4.17 0.00 2.08 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 2.38 2.40 0.00 110 S 8.26 4.12 0.00 4.03 4.15 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 0.00 0.00 0.00 111 V 7.55 3.46 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.81 0.00 0.00 112 Y 7.92 4.45 0.00 3.19 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 0.00 113 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.