NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6948 8.3049 120.6114 55.8169 33.5627 174.2597 2 T 4.2910 8.8318 123.8608 61.7791 70.4707 170.6252 3 E 5.3081 9.1294 126.4000 54.5538 32.1119 174.7563 4 Y 4.7925 8.3681 119.8116 56.1098 42.1164 174.1838 5 K 4.9063 9.4345 126.2759 55.2018 33.6270 174.8042 6 L 5.1483 9.1406 128.4440 52.8533 44.8633 175.8441 7 V 4.7480 8.2719 122.3044 61.0815 34.8462 174.1704 8 V 4.7330 8.9169 128.4805 61.6229 33.0553 174.9248 9 V 4.9173 9.4770 120.9290 57.9718 35.9584 174.9688 10 G 3.8940 8.1792 108.1226 43.3913 0.0000 172.4960 11 A 4.3020 8.0252 123.2896 51.5818 18.9492 177.4577 12 G 3.8283 8.6049 108.8127 47.5855 0.0000 174.2531 13 G 4.0039 8.9853 111.4316 45.5670 0.0000 174.6709 14 V 3.7159 7.2687 111.9716 62.5344 31.8699 177.1458 15 G 4.2283 8.4395 109.1828 45.5653 0.0000 175.7634 16 K 3.8529 8.4550 121.1126 59.4369 31.9992 179.1849 17 S 4.1082 8.0395 115.7669 60.8078 62.7360 176.2393 18 A 3.7668 7.4068 122.8992 55.0927 18.1355 179.4930 19 L 3.9765 8.2021 117.6476 58.2990 41.6902 179.8756 20 T 3.6851 7.8309 115.5394 66.7748 68.3149 176.8526 21 I 3.5064 7.9704 122.0366 64.0550 37.0429 178.1994 22 Q 4.0824 8.3830 120.9050 59.1955 28.6737 178.2353 23 L 3.7494 7.5091 119.7920 58.1287 42.0840 178.7688 24 I 3.8358 7.5427 118.5740 63.8394 37.3027 177.5303 25 Q 4.4364 8.5620 115.9494 54.2528 30.2958 174.9503 26 N 4.9926 8.3463 116.8177 53.7053 37.9294 173.1195 27 H 4.9844 8.1001 113.5666 54.0669 33.3961 171.3742 28 F 4.9974 8.5355 126.9667 56.2202 41.2521 174.6149 29 V 3.8911 7.7808 127.5027 60.7329 33.2262 175.4461 30 D 4.2566 8.0015 125.7095 55.9295 41.1231 176.0538 31 E 4.5479 6.8246 115.2050 55.0026 32.1214 174.1920 32 Y 4.4607 8.1880 117.7605 55.8702 40.7109 174.9044 33 D 4.3810 8.8888 124.1102 54.1602 41.6299 175.6933 34 P 4.2645 0.0000 0.0000 65.6266 31.4728 176.9942 35 S 4.7228 7.6813 111.3246 58.0833 62.9022 174.4364 36 I 3.8969 7.5119 121.6604 60.9619 37.3786 175.7016 37 E 3.9303 8.7104 123.7090 57.1413 29.8533 176.3641 38 D 5.0235 8.5302 122.3475 53.1279 41.5592 175.0032 39 S 5.1453 8.2352 115.0441 56.8274 64.5198 172.7175 40 Y 4.9121 8.9817 123.4919 56.3553 42.3079 174.4127 41 R 5.7209 8.6577 119.9079 53.7756 33.6872 175.3999 42 K 4.5061 8.3569 122.4759 55.2366 35.7569 174.1296 43 Q 5.1380 8.7564 129.3093 54.7617 30.3509 174.8494 44 V 4.4915 8.6343 124.9416 60.4208 35.3719 173.3275 45 V 4.4945 8.2427 123.1834 61.9709 32.5528 175.0732 46 I 4.1404 8.5810 129.4130 60.5330 39.4599 175.6601 47 D 4.4059 9.7613 127.0392 55.4423 38.1609 174.7814 48 G 3.8983 8.1770 103.9908 45.3425 0.0000 172.3554 49 E 4.6461 7.8059 121.6406 54.3893 32.1522 174.9416 50 T 4.4440 8.5397 123.8109 63.7185 69.6911 173.2182 51 C 5.3301 9.3374 124.8908 57.8520 31.9806 173.2177 52 L 5.0484 8.9506 124.8771 53.1439 43.4258 175.1209 53 L 4.6681 9.1115 127.5264 54.5466 43.3308 175.7554 54 D 5.1989 9.5280 123.5435 52.7795 43.6103 174.6489 55 I 5.0006 9.0672 128.1745 59.5115 40.0020 174.4954 56 L 4.9538 9.0361 130.5766 53.7513 43.3372 174.8881 57 D 5.0539 9.5204 128.6562 53.1305 40.8563 175.8798 58 T 4.3240 8.5588 115.9868 60.7153 70.8018 173.7413 59 A 4.3749 8.5023 124.8249 51.6364 19.8638 178.6947 60 G 4.0107 8.2672 111.7748 43.3004 0.0000 173.0755 *72 M 4.8675 7.8031 122.1144 55.9161 34.5535 178.7439 73 R 4.2699 8.0825 116.2895 59.3078 30.5250 177.9781 74 T 4.1451 7.9785 113.6687 65.6543 68.9717 175.7212 75 G 3.5700 7.3483 110.0229 46.1191 0.0000 172.8733 76 E 4.3965 8.8128 121.9856 57.3153 30.9851 176.5978 77 G 4.2369 7.3951 104.5257 44.6934 0.0000 171.7112 78 F 5.3123 9.0888 119.7207 55.2363 42.6766 174.0134 79 L 4.7465 9.0107 126.4701 54.0783 43.5180 175.0044 80 C 4.9313 9.0189 125.7774 58.6532 29.3848 172.8690 81 V 4.9039 8.7868 125.5142 61.0228 33.6275 174.5788 82 F 5.1356 9.0119 121.5715 55.0908 42.1575 173.0411 83 A 5.1587 8.7493 120.5133 50.0037 21.0560 178.0610 84 I 4.1412 8.9662 115.2606 62.4591 38.0103 176.8661 85 N 5.2072 7.9552 117.7619 51.6486 37.7705 174.8865 86 N 4.9182 8.3165 118.7184 51.9026 39.9222 174.4305 87 T 3.9543 8.5716 121.0585 66.2471 68.7015 175.4255 88 K 4.1947 8.4585 122.4285 59.0422 31.9509 178.6887 89 S 4.2467 8.5477 113.5796 61.3071 63.1279 176.1190 90 F 3.9857 8.2423 123.7593 61.1900 39.2865 176.7894 91 E 3.7643 8.4125 118.3231 59.7669 29.3962 179.2398 92 D 4.7630 8.4423 119.8614 56.3397 40.7218 178.4971 93 I 3.9254 7.5526 121.0458 64.7434 36.9755 177.3094 94 H 4.1934 7.6882 118.8809 58.8161 29.0571 177.1774 95 Q 3.8145 7.8846 118.9700 59.1447 28.4149 178.4532 96 Y 3.9605 7.6594 117.1969 60.9003 37.8942 178.4249 97 R 3.6538 8.3074 119.9733 59.3998 30.1717 178.4140 98 E 3.7605 8.2375 118.7562 59.3508 29.4147 179.1644 99 Q 3.8639 8.0393 119.5829 59.1794 29.0929 178.3978 100 I 3.3619 7.7629 121.0236 64.1306 37.0304 178.5493 101 K 4.4214 7.9775 120.8448 58.7885 31.9377 179.4376 102 R 3.7727 7.9410 118.9218 59.5040 29.8674 178.7167 103 V 3.6064 7.5897 116.5858 65.4552 31.5948 177.1771 104 K 4.2656 7.8738 115.2273 55.2817 33.2205 175.6845 105 D 4.3572 7.7368 118.2550 54.1452 40.4981 172.9234 106 S 4.5921 7.9550 111.0963 57.6738 65.9657 173.8116 107 D 4.7989 8.6637 124.3960 53.0806 39.5772 176.4992 108 D 4.8653 8.0577 120.4854 52.1028 40.7020 173.8105 109 V 4.3968 7.5746 120.1705 59.2975 34.6903 173.2265 110 P 4.4295 0.0000 0.0000 63.4463 32.0559 174.8468 111 M 5.3404 8.4697 122.8797 54.4493 35.5345 173.7021 112 V 4.5301 8.7463 124.3369 60.9424 35.2741 173.9192 113 L 4.8781 8.9692 130.2955 54.6276 43.4756 175.2487 114 V 4.5683 9.3264 127.0126 61.0875 34.2311 174.4431 115 G 3.2682 8.4665 116.2670 44.6595 0.0000 172.5390 116 N 5.0918 8.5461 126.4276 51.2183 41.7463 174.6240 117 K 4.1438 8.4379 116.8517 57.6166 28.9214 177.7471 118 C 4.3557 8.0823 113.7729 59.6906 29.6531 174.0446 119 D 4.4409 7.7572 119.5290 55.0993 39.6823 176.6485 120 L 4.1726 7.5353 120.2741 53.9077 42.3184 176.7431 121 A 4.0778 8.3558 124.9092 52.7174 19.2503 176.3861 122 A 3.6936 8.4275 119.1276 52.3273 15.8205 178.4958 123 R 4.0102 8.0189 116.0842 58.0419 29.8709 176.5414 124 T 4.3641 8.7570 108.5110 61.3159 70.0861 173.9039 125 V 4.3079 7.5213 122.1354 60.8869 33.3982 174.7373 126 E 4.2474 9.4240 127.3891 55.6831 30.5248 177.5599 127 S 4.3022 8.8774 116.3507 61.9999 62.3572 176.5873 128 R 3.8339 8.0609 120.5030 59.6540 29.6201 178.2159 129 Q 3.8809 7.7420 117.3585 58.9498 28.6246 178.7205 130 A 3.9234 7.4156 121.1809 55.0287 18.2507 179.4782 131 Q 3.8645 7.9861 116.9155 59.1630 28.7489 178.8076 132 D 4.2705 8.0873 119.9009 57.0851 40.7682 178.6117 133 L 3.5283 7.8002 120.5523 57.9685 42.1232 178.7807 134 A 3.9350 7.9830 120.9309 55.1792 18.3056 179.4454 135 R 3.8640 8.1937 117.6189 59.6997 29.9224 178.8993 136 S 4.1809 7.7399 112.7326 61.2606 63.1241 175.2678 137 Y 4.7072 7.7866 118.5817 57.3616 37.8620 175.9003 138 G 3.7620 8.1250 108.1328 46.6305 0.0000 173.2605 139 I 4.8555 7.7731 111.0673 57.8109 41.1747 173.4015 140 P 4.5918 0.0000 0.0000 62.7983 32.7052 174.5380 141 Y 5.4650 8.5851 123.3946 56.0883 41.0208 174.8464 142 I 4.2822 8.2839 126.5508 59.4459 41.4777 174.3349 143 E 4.6881 8.2100 126.0898 55.6308 31.3023 175.3434 144 T 4.9418 8.7422 112.5087 60.0755 73.3068 172.6254 145 S 4.6356 8.8607 116.7735 56.3568 64.5732 174.7667 146 A 4.0248 8.5011 130.8866 54.9605 18.6035 178.7389 147 K 2.6095 7.5136 116.4769 59.1664 32.1877 177.9126 148 T 4.0528 7.4222 105.9765 61.3916 69.5267 175.6556 149 R 3.9573 8.0490 122.0626 55.8109 30.2353 175.2184 150 Q 3.9680 7.5038 118.1455 58.6048 29.3023 177.8999 151 G 3.9422 8.8517 111.6764 46.7605 0.0000 175.4878 152 V 3.5019 7.6910 119.6600 66.1184 31.5512 177.5366 153 E 3.2698 8.0037 117.7451 59.2955 29.2295 178.5830 154 D 4.2988 8.0429 117.1306 57.3333 41.2414 178.1450 155 A 3.8030 8.1605 121.2969 55.2567 18.4303 179.6695 156 F 3.9563 7.8389 116.0343 60.9763 38.9177 177.6789 157 Y 4.5323 8.2581 116.7465 61.2089 37.5620 178.2649 158 T 3.8671 8.2580 117.1904 66.4851 68.5322 176.2957 159 L 3.9222 7.8945 122.1631 58.0074 42.1049 179.0813 160 V 3.2673 7.7974 118.1936 66.1842 31.1923 178.3242 161 R 3.9491 7.8739 116.3185 59.0387 29.9225 178.7488 162 E 4.1482 8.5297 119.0473 59.4471 29.5247 179.0999 163 I 3.7699 7.7976 119.8352 64.7303 36.9616 178.7318 164 R 4.1007 7.8423 117.6357 59.0363 29.9720 178.5656 165 Q 4.2071 7.7159 116.4495 57.7970 28.8612 175.5703 166 H 4.3788 8.1244 124.6023 56.3088 29.9147 174.5624 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 1 M 8.30 4.69 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 2 T 8.83 4.29 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 3 E 9.13 5.31 0.00 1.73 1.80 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 2.21 2.10 0.00 4 Y 8.37 4.79 0.00 2.96 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 5 K 9.43 4.91 0.00 1.81 1.67 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 6 L 9.14 5.15 0.00 1.67 1.57 1.16 0.68 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 7 V 8.27 4.75 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 1.19 0.00 0.00 0.79 0.00 0.00 8 V 8.92 4.73 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 0.87 0.00 0.00 1.04 0.00 0.00 9 V 9.48 4.92 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 0.99 0.00 0.00 0.97 0.00 0.00 10 G 8.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.03 4.30 1.47 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 0.00 0.00 0.00 12 G 8.60 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 13 G 8.99 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 14 V 7.27 3.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 15 G 8.44 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 0.00 0.00 0.00 0.00 16 K 8.46 3.85 0.00 1.77 1.95 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 17 S 8.04 4.11 0.00 3.37 3.44 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 0.00 18 A 7.41 3.77 1.47 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 0.00 0.00 0.00 19 L 8.20 3.98 0.00 1.94 1.90 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.83 3.69 4.12 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 0.70 0.00 0.00 21 I 7.97 3.51 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.16 0.00 0.00 22 Q 8.38 4.08 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 23 L 7.51 3.75 0.00 1.03 1.19 0.55 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.54 3.84 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.93 0.00 0.00 25 Q 8.56 4.44 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 26 N 8.35 4.99 0.00 2.82 2.88 0.00 0.00 6.82 7.50 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 27 H 8.10 4.98 0.00 3.09 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.54 5.00 0.00 3.07 2.89 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 29 V 7.78 3.89 0.70 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 0.52 0.00 0.00 0.85 0.00 0.00 30 D 8.00 4.26 0.00 2.53 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 6.82 4.55 0.00 1.94 1.75 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 2.02 2.12 0.00 32 Y 8.19 4.46 0.00 2.93 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 33 D 8.89 4.38 0.00 2.76 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 34 P 0.00 4.26 0.00 2.10 2.18 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 35 S 7.68 4.72 0.00 3.97 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 36 I 7.51 3.90 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 1.09 0.00 0.00 37 E 8.71 3.93 0.00 1.78 1.70 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 1.74 1.71 0.00 38 D 8.53 5.02 0.00 3.05 2.89 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 39 S 8.24 5.15 0.00 3.80 3.73 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 40 Y 8.98 4.91 0.00 2.96 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 41 R 8.66 5.72 0.00 1.68 1.83 0.00 3.61 0.00 0.00 3.93 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.00 42 K 8.36 4.51 0.00 1.80 1.60 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 43 Q 8.76 5.14 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 44 V 8.63 4.49 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 0.55 0.00 0.00 0.68 0.00 0.00 45 V 8.24 4.49 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 0.83 0.00 0.00 0.90 0.00 0.00 46 I 8.58 4.14 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.41 0.71 0.00 0.00 47 D 9.76 4.41 0.00 2.73 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 48 G 8.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.81 4.65 0.00 2.08 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 2.28 2.29 0.00 50 T 8.54 4.44 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 1.21 0.00 0.00 51 C 9.34 5.33 0.00 2.93 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 52 L 8.95 5.05 0.00 1.70 1.54 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.11 4.67 0.00 1.67 1.66 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.53 5.20 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.07 5.00 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.63 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 0.00 109 V 7.57 4.40 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 1.09 0.00 0.00 0.93 0.00 0.00 110 P 0.00 4.43 0.00 2.26 2.08 0.00 3.77 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 111 M 8.47 5.34 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 112 V 8.75 4.53 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 0.93 0.00 0.00 0.95 0.00 0.00 113 L 8.97 4.88 0.00 2.06 1.97 1.23 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.33 4.57 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.76 0.00 0.00 115 G 8.47 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.55 5.09 0.00 2.64 2.76 0.00 0.00 7.10 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0.00 2.90 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 0.00 142 I 8.28 4.28 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.73 0.00 0.00 143 E 8.21 4.69 0.00 1.72 1.69 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 2.10 1.91 0.00 144 T 8.74 4.94 4.13 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 1.06 0.00 0.00 145 S 8.86 4.64 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.50 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.51 2.61 0.00 0.79 1.34 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 0.87 7.81 148 T 7.42 4.05 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 1.10 0.00 0.00 149 R 8.05 3.96 0.00 2.04 2.09 0.00 3.40 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 150 Q 7.50 3.97 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.45 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 151 G 8.85 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 0.00 152 V 7.69 3.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 153 E 8.00 3.27 0.00 1.95 1.80 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 2.19 2.27 0.00 154 D 8.04 4.30 0.00 2.64 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 0.00 155 A 8.16 3.80 1.09 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 0.00 0.00 156 F 7.84 3.96 0.00 2.79 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 0.00 157 Y 8.26 4.53 0.00 3.00 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 0.00 158 T 8.26 3.87 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 1.21 0.00 0.00 159 L 7.89 3.92 0.00 1.72 1.84 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.80 3.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.81 0.00 0.00 161 R 7.87 3.95 0.00 1.95 1.98 0.00 3.23 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 162 E 8.53 4.15 0.00 2.15 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 2.56 2.52 0.00 163 I 7.80 3.77 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.78 1.14 0.00 0.00 164 R 7.84 4.10 0.00 2.00 2.05 0.00 3.12 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 165 Q 7.72 4.21 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 166 H 8.12 4.38 0.00 3.16 3.33 0.00 5.98 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.