NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3335 8.0327 117.3798 63.5161 69.4363 174.9280 3 S 4.2104 7.9638 114.2203 59.3602 62.3419 173.6060 4 T 4.5109 7.8951 117.4394 65.7156 69.4692 176.5405 5 V 3.6827 7.5680 119.8351 66.1698 31.7829 177.7187 6 E 4.1003 8.4133 118.4099 59.3700 28.7488 179.1894 7 F 4.4013 7.8302 118.5132 61.4303 39.4706 177.3024 8 I 3.3542 7.5451 119.2770 64.4683 37.0838 177.6725 9 N 4.4268 8.4576 119.5402 56.1367 38.4686 177.0767 10 R 3.7369 7.9058 119.1510 59.1255 30.1813 179.0877 11 W 4.0108 7.3644 118.1851 59.4803 28.6291 178.7426 12 Q 2.9279 7.6899 118.1842 58.6807 28.0651 178.6370 13 R 3.8362 7.7424 119.5739 59.3997 30.0188 178.6690 14 I 3.6933 7.9751 119.6819 64.4183 37.1802 178.0233 15 A 4.2258 8.4193 121.9761 55.4677 18.0954 179.5649 16 L 3.9344 8.2175 117.5047 57.9897 41.7154 179.3931 17 L 3.9228 8.3079 119.0884 58.1680 41.1079 179.8449 18 S 3.7321 8.6620 113.1048 61.3078 62.3927 175.8505 19 Q 3.9666 8.1931 122.2629 59.3278 28.7207 178.2587 20 S 4.0528 8.0578 116.0437 61.8905 63.0409 176.7185 21 L 3.8428 7.9245 121.3555 57.7549 41.2517 179.1595 22 L 3.8251 7.9858 120.1800 58.2609 42.0727 178.5587 23 E 4.1185 8.1598 119.4916 58.9997 29.4638 179.7450 24 L 3.8318 7.8541 118.3170 57.5496 41.6132 179.5426 25 A 2.8652 7.4397 120.2181 54.8128 17.9686 179.4438 26 Q 3.9183 7.9784 116.6968 59.4739 28.5524 179.7430 27 R 3.9469 7.5476 117.7732 57.1248 30.0755 177.9245 28 G 3.3103 7.6747 106.0795 45.7139 0.0000 175.0198 29 E 4.2328 7.7839 120.8647 55.1273 25.9212 177.7941 30 W 4.2486 7.4898 121.1034 59.6915 29.2436 178.0749 31 D 4.4643 8.2717 118.7542 57.3388 40.1666 178.5181 32 L 4.1155 7.7819 119.5550 57.2535 41.5750 179.2930 33 L 3.9539 7.7982 118.6068 57.8776 41.4537 179.0884 34 L 4.0347 7.8548 117.3137 58.4588 41.6650 179.2724 35 Q 4.0922 7.5951 115.5387 59.3358 29.0130 178.8272 36 Q 4.1300 8.7425 119.2967 58.8248 28.6850 177.7962 37 E 3.9186 8.5415 120.7508 59.6955 29.4032 178.7057 38 V 3.5990 7.8499 116.8695 66.6278 31.5538 178.3985 39 S 4.1434 8.1607 113.8847 61.6627 62.6269 176.0829 40 Y 4.1142 8.1169 122.1388 60.8934 38.8442 177.8258 41 L 3.8934 8.2574 120.0681 57.6057 41.5321 179.2297 42 Q 3.8786 8.3776 120.0896 59.2299 29.0326 178.3970 43 S 3.9649 8.2070 115.9863 61.7191 62.8028 176.7444 44 I 3.3398 7.6342 119.7725 63.6348 37.5442 177.4997 45 E 4.0699 7.6012 118.4967 59.5189 29.6649 178.8336 46 T 3.9597 7.7564 114.1721 65.8372 68.4871 175.1145 47 V 3.8874 7.1658 119.7650 63.2129 31.9576 176.9179 *49 E 4.1742 8.1441 119.5087 55.2109 31.2456 176.0967 50 K 3.9932 7.3558 118.6985 56.5394 32.7565 175.4245 51 Q 4.4099 8.3077 124.5616 55.0790 30.2364 175.0909 52 T 3.9002 8.1841 121.5037 61.4971 69.2725 173.1379 53 P 4.3112 0.0000 0.0000 62.2000 31.7178 174.7027 54 P 4.2566 0.0000 0.0000 65.4972 32.0514 177.9478 55 G 3.9904 7.6202 108.0427 43.9049 0.0000 173.6312 56 I 4.0693 7.2958 118.8468 61.0489 38.7166 176.8886 57 T 4.6656 8.0876 114.2060 59.6453 72.6185 175.3557 58 R 4.0178 8.5002 120.8551 59.5265 29.6352 178.9561 59 S 4.1931 7.9081 113.9048 61.7521 63.1202 176.0264 60 I 3.9308 7.4514 120.6918 64.9829 37.0911 177.4784 61 Q 4.0535 9.0330 120.5762 58.8245 28.6420 177.2945 62 D 4.3737 8.9929 118.1988 55.6685 42.2910 179.1809 *64 V 4.0767 7.9372 120.8015 62.9090 33.4118 177.2638 65 A 3.8748 8.1470 121.6344 55.1555 17.5662 179.6838 66 G 3.5318 7.9751 104.0321 48.1146 0.0000 175.5747 67 Y 4.2358 7.3705 118.2094 61.0243 38.1624 177.8932 68 I 3.4920 7.7334 121.1019 64.2730 36.6190 178.2520 69 K 4.0724 8.5165 120.0340 58.5940 32.0759 178.7047 70 Q 3.9997 7.5957 119.2999 59.4689 29.0860 177.6329 71 T 4.1880 8.5449 115.7318 64.1507 67.2561 176.1501 72 L 4.0969 8.0891 122.6823 57.8430 42.0957 178.2580 73 D 4.5169 7.8987 117.8376 56.3937 41.0940 178.4872 74 N 4.3625 8.1012 117.0908 56.4230 38.5211 177.2473 75 E 4.0156 8.2960 119.9398 59.3998 29.4423 178.8502 76 Q 3.9731 7.8395 119.6599 59.5662 29.1043 178.9456 77 L 4.0449 8.0798 119.7054 57.5181 41.7090 179.1492 78 L 4.0085 7.9653 120.3612 58.1127 41.9690 179.0645 79 K 4.1145 8.8924 118.9903 59.5995 31.7718 179.5480 80 G 3.6252 7.7502 104.9411 47.6085 0.0000 175.6249 81 L 4.2259 7.9501 120.8593 57.7201 41.8062 179.0630 82 L 3.7887 8.2807 120.1982 58.5566 41.9107 178.9602 83 Q 3.9807 8.5250 119.4933 58.8835 28.9369 177.7955 84 Q 3.9712 8.1853 120.9175 58.5981 28.9479 178.0256 85 R 3.7366 7.6826 119.4967 59.3229 30.1588 178.0407 86 L 3.8356 7.5643 118.7109 58.1184 41.6484 178.9549 87 D 4.3401 8.1403 118.4351 57.9743 40.7542 179.1251 88 E 4.0302 8.2781 118.5388 59.0243 29.2756 179.3124 89 L 4.0387 8.0418 121.1168 57.9690 42.0143 179.2211 90 S 4.0780 8.3908 115.4073 61.7750 62.6326 176.3695 91 S 4.0064 7.7996 114.4378 61.6341 62.0804 176.3412 92 L 4.1015 7.3210 118.9970 57.9953 41.6127 178.9664 93 I 3.7969 7.1151 118.5339 62.0586 37.3051 177.7093 94 G 4.0170 7.8889 103.6741 45.5511 0.0000 172.6449 95 Q 4.5744 8.0078 118.2258 54.2656 30.3294 176.1967 96 S 4.5542 8.5847 116.0019 57.5968 64.9667 175.5360 97 T 3.8832 8.4309 116.2695 67.0872 67.9469 176.7288 98 R 3.9067 8.1681 119.5521 59.2284 30.1945 178.8919 99 Q 3.7765 8.1582 118.7907 59.1820 29.2957 180.0082 100 K 3.9825 7.8792 119.5362 59.6304 32.0912 179.6479 101 S 4.1785 7.9915 114.6555 60.9643 62.5937 176.5236 102 L 4.2616 8.0800 121.7488 57.0215 41.9390 178.6737 103 N 4.3329 8.1558 116.3816 56.4093 38.5489 176.7992 104 N 4.3026 8.3785 118.2085 56.7206 38.6824 176.6316 105 A 4.0024 7.5082 122.0139 55.2573 18.4394 178.9067 106 Y 4.0113 8.0592 118.1573 60.8198 38.9282 178.5860 107 G 3.6508 8.3226 106.6123 47.9117 0.0000 175.5638 108 R 4.1782 7.9033 119.8424 58.2785 29.9845 177.8828 109 L 4.1676 7.0295 119.3829 57.4747 42.5191 178.2574 110 S 4.3741 7.5593 112.9109 60.6174 63.8101 175.7007 111 G 3.6353 8.0554 114.4563 44.3177 0.0000 171.2177 *113 L 4.0243 7.8975 123.3700 54.5528 42.9579 177.0234 114 L 4.4492 8.1638 123.4676 53.9282 42.9598 177.1746 115 V 4.2507 7.5899 114.7221 60.9859 31.7626 170.5647 116 P 4.4601 0.0000 0.0000 63.1614 31.4046 175.8360 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 T 8.03 4.33 4.26 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 1.23 0.00 0.00 3 S 7.96 4.21 0.00 3.98 3.85 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 4 T 7.90 4.51 4.30 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 1.32 0.00 0.00 5 V 7.57 3.68 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 1.08 0.00 0.00 0.97 0.00 0.00 6 E 8.41 4.10 0.00 2.08 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 2.68 2.49 0.00 7 F 7.83 4.40 0.00 3.06 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 8 I 7.55 3.35 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.97 0.00 0.00 9 N 8.46 4.43 0.00 2.79 2.82 0.00 0.00 6.80 7.54 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 10 R 7.91 3.74 0.00 1.69 1.65 0.00 3.13 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 11 W 7.36 4.01 0.00 3.13 3.16 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 0.00 12 Q 7.69 2.93 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 1.48 2.26 0.00 13 R 7.74 3.84 0.00 1.85 2.03 0.00 3.05 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 14 I 7.98 3.69 1.90 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.01 1.06 0.00 0.00 15 A 8.42 4.23 1.59 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 16 L 8.22 3.93 0.00 1.88 1.72 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.31 3.92 0.00 1.97 1.79 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.66 3.73 0.00 3.96 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 19 Q 8.19 3.97 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 20 S 8.06 4.05 0.00 4.03 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 21 L 7.92 3.84 0.00 1.36 1.52 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.99 3.83 0.00 1.71 1.78 0.92 0.88 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 23 E 8.16 4.12 0.00 2.15 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 2.29 2.38 0.00 24 L 7.85 3.83 0.00 1.73 1.53 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.44 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.98 3.92 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 27 R 7.55 3.95 0.00 1.80 1.88 0.00 3.08 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 28 G 7.67 3.31 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 0.00 29 E 7.78 4.23 0.00 1.86 1.82 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 2.18 2.38 0.00 30 W 7.49 4.25 0.00 3.39 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 31 D 8.27 4.46 0.00 2.73 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 32 L 7.78 4.12 0.00 1.76 1.68 0.89 0.60 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 33 L 7.80 3.95 0.00 1.94 1.83 0.89 0.72 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 34 L 7.85 4.03 0.00 1.81 1.79 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.60 4.09 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 36 Q 8.74 4.13 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 37 E 8.54 3.92 0.00 2.24 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 2.41 2.45 0.00 38 V 7.85 3.60 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 1.10 0.00 0.00 0.95 0.00 0.00 39 S 8.16 4.14 0.00 4.01 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 40 Y 8.12 4.11 0.00 3.02 3.19 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 41 L 8.26 3.89 0.00 1.85 1.66 1.00 1.02 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 42 Q 8.38 3.88 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 43 S 8.21 3.96 0.00 3.86 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 44 I 7.63 3.34 1.26 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.40 0.65 0.00 0.00 45 E 7.60 4.07 0.00 2.25 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 2.27 2.44 0.00 46 T 7.76 3.96 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 1.16 0.00 0.00 47 V 7.17 3.89 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 0.28 0.00 0.00 0.56 0.00 0.00 *49 E 8.14 4.17 0.00 2.12 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 2.18 2.30 0.00 50 K 7.36 3.99 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.49 1.47 7.81 51 Q 8.31 4.41 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 52 T 8.18 3.90 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 0.91 0.00 0.00 53 P 0.00 4.31 0.00 2.08 1.97 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 54 P 0.00 4.26 0.00 2.18 2.19 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 55 G 7.62 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 56 I 7.30 4.07 1.87 0.00 0.00 0.71 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 0.61 1.00 0.00 0.00 57 T 8.09 4.67 4.26 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 1.23 0.00 0.00 58 R 8.50 4.02 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 59 S 7.91 4.19 0.00 3.91 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 60 I 7.45 3.93 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 1.19 0.00 0.00 61 Q 9.03 4.05 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 62 D 8.99 4.37 0.00 2.77 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 *64 V 7.94 4.08 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 0.49 0.00 0.00 0.58 0.00 0.00 65 A 8.15 3.87 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 66 G 7.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 4.24 0.00 3.26 3.20 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 68 I 7.73 3.49 1.55 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.55 0.00 0.00 69 K 8.52 4.07 0.00 1.70 1.74 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 70 Q 7.60 4.00 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 71 T 8.54 4.19 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 1.63 0.00 0.00 72 L 8.09 4.10 0.00 2.13 1.82 0.98 1.24 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 73 D 7.90 4.52 0.00 2.80 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 74 N 8.10 4.36 0.00 3.13 2.89 0.00 0.00 6.92 7.45 0.00 0.00 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 E 8.30 4.02 0.00 2.12 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 0.00 2.46 2.66 0.00 76 Q 7.84 3.97 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 77 L 8.08 4.04 0.00 1.98 1.71 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 4.01 0.00 1.78 1.85 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.89 4.11 0.00 1.97 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.66 7.81 80 G 7.75 3.63 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 0.00 81 L 7.95 4.23 0.00 2.10 2.01 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.28 3.79 0.00 2.12 1.91 0.62 0.45 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 83 Q 8.52 3.98 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 84 Q 8.19 3.97 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 85 R 7.68 3.74 0.00 1.56 1.47 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.00 86 L 7.56 3.84 0.00 1.83 1.64 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.14 4.34 0.00 2.89 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 88 E 8.28 4.03 0.00 2.01 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 2.57 0.00 89 L 8.04 4.04 0.00 1.92 1.58 0.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.39 4.08 0.00 4.01 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 91 S 7.80 4.01 0.00 3.86 4.07 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 92 L 7.32 4.10 0.00 1.91 1.69 0.91 0.83 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 93 I 7.12 3.80 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.89 0.00 0.00 94 G 7.89 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 95 Q 8.01 4.57 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 96 S 8.58 4.55 0.00 4.01 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 97 T 8.43 3.88 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 98 R 8.17 3.91 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.26 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 99 Q 8.16 3.78 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 100 K 7.88 3.98 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.71 7.81 101 S 7.99 4.18 0.00 4.04 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 0.00 102 L 8.08 4.26 0.00 1.79 1.71 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.16 4.33 0.00 2.92 2.89 0.00 0.00 6.67 6.21 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 0.00 104 N 8.38 4.30 0.00 2.98 2.84 0.00 0.00 7.15 7.49 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 0.00 105 A 7.51 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.06 4.01 0.00 3.15 3.16 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 0.00 107 G 8.32 3.65 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 0.00 0.00 0.00 108 R 7.90 4.18 0.00 2.05 2.13 0.00 3.25 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 109 L 7.03 4.17 0.00 1.53 1.59 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.56 4.37 0.00 3.94 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 3.64 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 0.00 0.00 0.00 *113 L 7.90 4.02 0.00 1.64 1.66 0.91 1.04 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 0.00 114 L 8.16 4.45 0.00 1.60 1.57 0.90 0.91 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 0.00 115 V 7.59 4.25 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 0.65 0.00 0.00 0.93 0.00 0.00 116 P 0.00 4.46 0.00 2.18 2.04 0.00 3.79 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 1.90 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.