NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5926 8.3049 120.3410 55.2476 33.4302 174.4397 3 F 4.4591 8.5272 119.1773 55.1756 42.7555 172.8729 4 L 4.6282 8.1042 123.1598 53.3764 44.2746 177.2106 5 R 4.4580 8.1767 119.5350 55.0542 32.3009 177.5921 6 Q 4.1265 8.5081 119.4135 59.6651 29.1481 178.0507 7 E 4.0673 8.3047 119.0475 59.5819 29.4349 179.0342 8 D 4.3864 8.0994 118.5725 57.2881 40.9908 178.3951 9 F 4.2026 8.4753 121.0805 60.8803 39.2550 177.0832 10 A 4.3885 8.6678 120.9934 55.7175 18.0437 179.6900 11 T 3.6265 7.7654 112.8345 66.6956 68.7667 176.7474 12 V 3.5589 7.7785 120.2204 65.9559 31.3835 178.0288 13 V 3.3702 7.3894 117.5142 66.1609 31.4046 177.7875 14 R 3.7573 7.6732 117.2516 58.6166 29.8703 177.6935 15 S 4.6048 7.6032 112.6191 58.2262 64.4514 173.8313 16 T 4.6028 6.8083 113.6725 59.5223 70.0470 170.9440 17 P 4.4348 0.0000 0.0000 62.8534 32.1394 175.9864 18 L 4.2822 8.9442 122.7152 54.4327 43.4536 175.7137 19 V 5.0441 8.3041 121.3414 61.3463 33.8858 174.5925 20 S 5.2728 9.2101 121.2851 56.7688 67.3642 172.4072 21 L 5.3379 8.9640 120.4502 53.1599 44.2063 175.4017 22 D 4.9847 8.9039 123.0978 52.3741 43.9661 175.1479 23 F 5.4493 8.5713 121.5058 56.0239 41.3307 175.7287 24 I 4.0157 8.6859 126.4932 60.1759 37.5801 174.5004 25 V 4.1878 8.2349 127.6380 61.1303 33.4114 173.6416 26 E 5.0835 9.0329 129.9632 54.6962 31.9353 175.4728 27 N 5.3155 8.6487 123.9593 50.4530 39.7740 175.4634 28 S 4.0428 8.1451 111.4132 61.2766 63.1755 174.9093 29 R 4.1524 7.8745 117.9734 55.5261 29.9593 176.3620 30 G 3.9883 7.5717 105.6308 45.8609 0.0000 173.7137 31 E 4.6858 8.1987 118.7926 54.5897 32.3229 175.0609 32 F 5.6519 9.4611 120.2541 55.6444 42.9605 174.5083 33 L 3.9235 8.6999 125.1142 54.7225 43.1137 175.6201 34 L 5.2188 8.9144 125.2473 53.0306 46.1340 175.6299 35 G 4.0162 9.5097 109.7705 43.9889 0.0000 171.7670 36 K 3.6518 7.1067 124.2144 54.9600 32.9621 176.5491 37 R 4.2301 8.6960 127.7400 56.3198 30.8425 177.0547 38 T 4.4508 8.5827 112.9057 61.7086 70.0316 173.3933 39 N 5.1818 7.7778 118.0824 51.1352 43.1200 174.2739 40 R 4.0947 8.4036 118.6457 55.5304 30.8138 175.0569 41 P 4.7371 0.0000 0.0000 62.3634 32.5916 175.3271 42 A 3.9665 8.6706 119.7625 52.7225 16.6477 177.4642 43 Q 4.0717 8.0794 120.2972 58.7481 29.7627 176.2367 44 G 3.9227 9.2235 113.8027 45.3540 0.0000 173.3892 45 Y 4.5598 7.7041 117.1702 57.4672 39.8421 174.4760 46 W 5.1230 9.4472 121.7488 55.5161 31.3503 175.6377 47 F 5.3359 9.3037 122.1849 55.3084 42.9528 174.9608 48 V 4.4027 8.6144 114.5646 60.6069 32.2244 174.6634 49 P 4.5018 0.0000 0.0000 62.2858 32.8238 176.3996 50 G 3.4378 7.6732 106.9462 47.6045 0.0000 171.1897 51 G 4.1892 7.4682 106.2955 45.7111 0.0000 173.0446 52 R 4.9811 8.6081 116.8656 55.2514 30.9992 176.3389 53 V 3.9484 8.9735 122.8360 62.8747 32.3793 175.9370 54 Q 4.3743 9.1828 126.8909 53.9527 30.1886 175.1140 55 K 3.9960 8.3072 120.6818 58.2530 32.3820 176.1607 56 D 4.4447 8.7688 123.6552 54.9342 38.5517 172.6490 57 E 4.4548 7.8774 121.3721 54.9005 30.8524 176.0965 58 T 4.1902 8.2181 116.4154 61.4683 71.0459 175.5510 59 L 4.1199 8.4284 121.8486 57.8260 41.5388 179.5256 60 E 3.9051 8.2281 117.9773 59.5741 29.4443 179.2139 61 A 4.0318 8.1548 120.3909 54.9223 18.4217 179.4767 62 A 4.2898 8.1526 120.7291 54.7646 18.4575 179.5248 63 F 4.0277 8.6073 119.4548 61.5923 39.5339 177.2786 64 E 4.2730 8.1165 119.4871 58.8332 29.2364 179.2918 65 R 3.9031 8.3904 119.1452 59.5934 30.1550 178.6429 66 L 4.1280 8.5280 119.4144 57.7398 41.6289 179.5249 67 T 3.6643 7.9635 110.1292 64.7642 68.6127 176.4314 68 M 3.9384 7.9158 120.3499 58.3054 32.0954 178.1546 69 A 3.9905 7.9794 119.7861 55.2144 18.6883 179.0276 70 E 4.2593 8.5300 116.0772 58.1476 30.2859 178.1399 71 L 4.6300 8.2340 117.1978 53.5650 43.3706 178.2348 72 G 3.9892 8.2889 105.6032 46.0559 0.0000 172.8979 73 L 4.4527 7.3470 120.3567 52.7861 44.2232 175.7943 74 R 4.0808 8.6338 127.1427 55.8611 29.6225 175.0950 75 L 4.7089 8.3497 126.2693 52.0693 44.1468 174.9456 76 P 4.4710 0.0000 0.0000 61.7802 32.5210 177.0048 77 I 2.0000 7.9200 119.5287 63.4376 37.8225 177.9076 78 T 3.8697 7.4637 108.5691 63.6176 68.9579 175.4191 79 A 4.0454 7.8637 125.5671 54.2768 18.6646 177.8294 80 G 4.4438 7.2311 102.7053 45.6694 0.0000 173.5881 81 Q 4.8076 9.7122 125.1250 53.9717 30.5659 174.6793 82 F 4.1972 9.2699 129.5635 58.6691 39.9597 174.0703 83 Y 4.5309 7.9905 128.5121 57.1528 39.5611 176.1463 84 G 3.4654 6.2181 102.0928 44.3722 0.0000 172.7193 85 V 4.8709 7.7505 118.9162 61.1064 32.7172 175.0123 86 W 4.9416 9.6436 127.8679 54.8081 33.0700 174.6229 87 Q 4.8784 8.6599 117.9696 55.1095 30.8425 174.0154 88 H 4.8777 8.9782 121.0779 53.7058 31.8080 172.8230 89 F 5.3891 8.6141 121.4410 55.8450 41.5533 174.2180 90 Y 4.9963 9.4322 121.5610 56.0509 40.6634 176.6014 91 D 4.5463 9.2588 122.6753 54.7510 40.0110 174.8028 92 D 5.0353 7.9002 119.2190 51.6004 42.7170 173.2429 93 N 5.2816 8.7414 115.1249 49.9424 40.4357 174.9132 94 F 4.4315 9.4237 112.6076 58.5514 37.4274 176.2192 95 S 4.3455 8.2815 112.2032 57.0914 64.1592 174.7241 96 G 3.5947 6.1067 109.7085 45.8807 0.0000 174.6619 97 T 4.5919 7.8294 116.9206 61.2184 69.4129 174.9391 98 D 4.4753 7.7875 123.5329 56.2529 39.6593 175.6025 99 F 5.1565 7.1141 112.3809 55.4879 41.4150 174.1626 100 T 4.7001 8.6734 109.6360 61.2435 70.8620 173.9289 101 T 4.8199 9.0979 118.5870 62.0321 72.0897 172.8683 102 H 5.3737 8.6975 124.3612 54.7213 33.1476 171.2935 103 Y 5.0907 9.3543 123.7129 56.2178 41.0341 174.7317 104 V 4.6893 8.9441 123.8903 61.2649 33.8411 174.4277 105 V 5.0000 9.0410 128.1902 61.1406 34.4977 174.0077 106 L 5.0132 9.2194 128.7921 53.6444 43.1034 176.0486 107 G 4.2728 8.7932 112.2159 45.4102 0.0000 172.2778 108 F 5.5780 9.2425 120.8806 55.7134 43.5784 173.7781 109 R 5.0284 9.4165 122.8980 54.5460 32.4723 175.2924 110 F 5.2529 8.2486 116.9508 56.1884 41.7995 172.9552 111 R 5.2692 8.7657 118.2287 54.9416 32.0489 176.0399 112 V 4.6385 8.9985 114.8167 59.5663 36.9419 174.9032 113 S 4.4386 8.4686 116.7143 57.0277 62.0735 174.1160 114 E 3.8660 8.6713 129.8137 59.4407 29.3401 178.7977 115 E 4.0435 8.0046 116.4541 58.7174 29.6660 177.1953 116 E 4.4269 8.0032 116.4637 56.1806 29.8604 175.6073 117 L 4.5036 7.4032 119.1319 53.5741 43.2564 176.7690 118 L 4.5243 8.0589 124.9867 53.3327 42.3919 173.9168 119 L 4.1914 8.1713 124.3720 53.2080 42.6078 174.3674 120 P 4.6315 0.0000 0.0000 61.4053 32.2902 174.9707 121 D 4.8185 8.3993 123.6110 51.4348 42.1361 174.4798 *126 D 4.4853 8.2549 117.3992 54.7418 42.1054 174.0204 127 Y 5.4241 8.8191 122.5401 56.4462 42.0616 175.3258 128 R 4.7682 9.1754 119.9393 54.4327 34.9909 174.1726 129 W 5.1992 8.9097 122.7106 55.5661 30.3037 175.6738 130 L 5.0044 9.0539 125.3348 52.7359 44.9837 176.9500 131 T 4.4092 8.4577 112.4048 61.1614 70.1156 175.1226 132 S 3.7878 9.1598 116.7325 62.1717 61.9780 176.5034 133 D 4.4035 8.0659 118.7367 56.8135 40.9733 178.3667 134 A 4.0694 7.7342 121.4540 55.0923 17.9721 179.6315 135 L 3.8218 8.0170 118.5110 58.9472 40.1399 179.3447 136 L 4.0062 7.7718 118.2664 56.7011 41.7927 177.7949 137 A 4.2109 7.5075 120.0408 53.1779 18.9604 177.3657 138 S 4.3928 7.4601 111.0317 57.6513 63.0611 174.5982 139 D 4.3440 8.5833 126.2462 55.9829 41.2461 176.6971 140 N 4.6233 7.8121 115.9447 52.9961 39.4799 174.5523 141 V 4.3706 7.0702 119.3374 61.7870 32.3249 175.2616 142 H 4.0481 8.4979 127.1016 55.5091 30.6226 175.6022 143 A 3.8854 8.1937 126.7777 55.7264 17.7942 179.9836 144 N 4.0686 8.2096 113.1859 56.2916 38.6718 177.2078 145 S 4.4583 7.8548 115.9356 61.2864 63.2839 176.5465 146 R 4.0242 8.2154 120.7227 59.2467 29.7782 178.6544 147 A 4.0246 7.9134 120.5070 55.6059 18.0085 179.2086 148 Y 3.7952 6.8817 113.8051 59.9269 37.7864 177.1811 149 F 4.7430 8.2024 116.5119 56.8371 40.1820 174.8103 150 L 4.7369 7.7021 121.7344 52.6179 43.4788 177.5337 151 A 4.0684 8.6969 126.3150 55.2475 18.9473 179.0648 152 E 4.0441 8.4614 116.3934 59.5030 29.6883 179.1613 153 K 4.1705 7.4966 115.2719 58.8004 31.9608 178.5703 154 R 3.9859 7.7376 116.6884 57.8713 30.4108 176.5961 155 T 4.0396 7.3374 109.6698 62.5782 69.0640 175.0769 156 G 3.7606 8.7925 114.0091 45.0462 0.0000 173.1549 157 V 3.3676 6.9411 119.9377 61.1325 31.7376 173.6161 158 P 4.2950 0.0000 0.0000 64.1582 31.5407 177.2682 159 G 4.2865 9.1722 111.2466 45.1801 0.0000 173.2069 160 L 4.1632 7.2365 124.1994 54.6437 41.8724 176.1900 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 M 8.30 4.59 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 3 F 8.53 4.46 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 4 L 8.10 4.63 0.00 1.50 1.58 0.94 0.92 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 5 R 8.18 4.46 0.00 2.09 2.11 0.00 3.01 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 6 Q 8.51 4.13 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.68 2.88 0.00 7 E 8.30 4.07 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 2.44 2.54 0.00 8 D 8.10 4.39 0.00 2.91 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 9 F 8.48 4.20 0.00 2.98 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 A 8.67 4.39 1.60 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 0.00 0.00 11 T 7.77 3.63 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 1.15 0.00 0.00 12 V 7.78 3.56 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 0.84 0.00 0.00 0.99 0.00 0.00 13 V 7.39 3.37 2.23 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 1.09 0.00 0.00 0.15 0.00 0.00 14 R 7.67 3.76 0.00 1.31 1.59 0.00 3.03 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.00 15 S 7.60 4.60 0.00 3.81 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 16 T 6.81 4.60 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 1.20 0.00 0.00 17 P 0.00 4.43 0.00 1.91 1.43 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 18 L 8.94 4.28 0.00 0.92 1.43 0.41 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.30 5.04 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 1.12 0.00 0.00 0.96 0.00 0.00 20 S 9.21 5.27 0.00 3.94 4.14 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 21 L 8.96 5.34 0.00 1.26 1.63 1.15 1.45 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 22 D 8.90 4.98 0.00 2.57 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 0.00 0.00 0.00 0.00 23 F 8.57 5.45 0.00 2.86 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 24 I 8.69 4.02 1.42 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.23 0.58 0.00 0.00 25 V 8.23 4.19 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 1.18 0.00 0.00 0.79 0.00 0.00 26 E 9.03 5.08 0.00 2.12 1.73 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 1.86 1.47 0.00 27 N 8.65 5.32 0.00 2.20 1.42 0.00 0.00 6.62 8.10 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 28 S 8.15 4.04 0.00 3.89 3.91 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 29 R 7.87 4.15 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 30 G 7.57 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 0.00 0.00 0.00 31 E 8.20 4.69 0.00 2.08 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 0.00 2.27 2.21 0.00 32 F 9.46 5.65 0.00 2.86 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 33 L 8.70 3.92 0.00 0.41 1.22 0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.91 5.22 0.00 1.67 1.76 0.92 0.58 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 35 G 9.51 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 36 K 7.11 3.65 0.00 0.79 0.83 0.00 1.58 0.00 0.00 1.25 0.00 0.00 2.61 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.82 0.21 7.81 37 R 8.70 4.23 0.00 2.13 1.84 0.00 2.60 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 38 T 8.58 4.45 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 1.07 0.00 0.00 39 N 7.78 5.18 0.00 2.53 2.73 0.00 0.00 7.01 7.66 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 40 R 8.40 4.09 0.00 1.85 1.95 0.00 3.10 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 41 P 0.00 4.74 0.00 1.68 2.09 0.00 3.36 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.69 0.00 42 A 8.67 3.97 1.63 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 43 Q 8.08 4.07 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 44 G 9.22 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 0.00 0.00 0.00 45 Y 7.70 4.56 0.00 3.17 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 46 W 9.45 5.12 0.00 3.12 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 47 F 9.30 5.34 0.00 2.94 2.90 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 48 V 8.61 4.40 2.37 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 0.96 0.00 0.00 1.04 0.00 0.00 49 P 0.00 4.50 0.00 2.33 2.13 0.00 4.07 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 50 G 7.67 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 0.00 0.00 0.00 51 G 7.47 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 52 R 8.61 4.98 0.00 2.13 2.15 0.00 3.15 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 53 V 8.97 3.95 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 0.80 0.00 0.00 1.03 0.00 0.00 54 Q 9.18 4.37 0.00 2.18 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 55 K 8.31 4.00 0.00 1.66 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.52 7.81 56 D 8.77 4.44 0.00 2.87 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 57 E 7.88 4.45 0.00 2.02 1.99 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 2.28 2.26 0.00 58 T 8.22 4.19 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 1.22 0.00 0.00 59 L 8.43 4.12 0.00 1.78 1.89 1.04 1.00 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 60 E 8.23 3.91 0.00 2.05 1.99 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 2.37 2.39 0.00 61 A 8.15 4.03 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.15 4.29 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 63 F 8.61 4.03 0.00 3.11 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 64 E 8.12 4.27 0.00 2.18 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 0.00 2.60 2.43 0.00 65 R 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.63 4.08 0.00 1.79 1.83 0.00 3.25 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 75 L 8.35 4.71 0.00 1.52 1.39 0.39 0.59 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 76 P 0.00 4.47 0.00 2.10 2.11 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 77 I 7.92 2.00 1.44 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 1.06 0.08 0.72 0.00 0.00 78 T 7.46 3.87 4.18 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 1.14 0.00 0.00 79 A 7.86 4.05 1.14 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 0.00 0.00 80 G 7.23 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 0.00 0.00 0.00 0.00 81 Q 9.71 4.81 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 82 F 9.27 4.20 0.00 3.06 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 83 Y 7.99 4.53 0.00 2.86 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 84 G 6.22 3.47 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 0.00 85 V 7.75 4.87 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 0.87 0.00 0.00 1.17 0.00 0.00 86 W 9.64 4.94 0.00 3.21 3.09 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 87 Q 8.66 4.88 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 88 H 8.98 4.88 0.00 3.14 2.96 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.61 5.39 0.00 2.84 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 90 Y 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0.00 2.85 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 0.00 128 R 9.18 4.77 0.00 1.45 1.60 0.00 2.29 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 129 W 8.91 5.20 0.00 3.15 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 0.00 130 L 9.05 5.00 0.00 1.49 1.45 0.69 0.36 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 0.00 131 T 8.46 4.41 4.28 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 1.22 0.00 0.00 132 S 9.16 3.79 0.00 4.13 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 0.00 133 D 8.07 4.40 0.00 2.67 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 0.00 134 A 7.73 4.07 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 0.00 135 L 8.02 3.82 0.00 1.71 1.75 0.42 -0.03 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 0.00 136 L 7.77 4.01 0.00 1.65 1.76 1.02 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 0.00 137 A 7.51 4.21 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 0.00 138 S 7.46 4.39 0.00 3.76 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 0.00 139 D 8.58 4.34 0.00 2.68 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 0.00 140 N 7.81 4.62 0.00 2.64 3.06 0.00 0.00 6.45 7.64 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 0.00 141 V 7.07 4.37 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 0.68 0.00 0.00 0.79 0.00 0.00 142 H 8.50 4.05 0.00 2.27 2.42 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.19 3.89 1.17 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 0.00 0.00 144 N 8.21 4.07 0.00 2.73 2.29 0.00 0.00 6.91 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 0.00 145 S 7.85 4.46 0.00 3.96 4.04 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 0.00 0.00 0.00 146 R 8.22 4.02 0.00 1.94 2.00 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 147 A 7.91 4.02 1.17 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 0.00 0.00 148 Y 6.88 3.80 0.00 2.36 2.11 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 0.00 149 F 8.20 4.74 0.00 3.01 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 0.00 150 L 7.70 4.74 0.00 1.76 1.62 0.94 1.09 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 0.00 151 A 8.70 4.07 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 0.00 152 E 8.46 4.04 0.00 2.00 1.99 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 2.39 2.30 0.00 153 K 7.50 4.17 0.00 2.31 2.11 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.62 7.81 154 R 7.74 3.99 0.00 1.94 1.90 0.00 3.15 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 155 T 7.34 4.04 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 1.18 0.00 0.00 156 G 8.79 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 0.00 157 V 6.94 3.37 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 -0.10 0.00 0.00 -0.23 0.00 0.00 158 P 0.00 4.29 0.00 2.20 1.94 0.00 3.61 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 2.05 2.01 0.00 159 G 9.17 4.29 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 0.00 160 L 7.24 4.16 0.00 1.50 1.33 0.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.