NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3784 8.1233 123.5867 51.7204 20.6877 178.5499 10 N 4.2116 8.1441 118.3911 56.8445 38.4132 175.5734 11 S 4.2318 8.9338 117.4644 62.0350 63.2388 176.5365 12 T 3.9293 7.6558 117.6016 66.4416 68.1905 177.1282 13 V 3.3692 7.5876 119.7021 65.9152 31.7055 177.9031 14 L 3.8371 8.2877 119.1446 57.7893 40.9612 179.4509 15 S 4.1914 8.2745 113.1415 61.3624 62.1030 176.0554 16 F 4.2249 7.8843 122.1229 61.5589 39.5857 176.6743 17 C 3.9148 8.1819 116.1744 62.4425 27.7179 175.7284 18 A 3.6703 8.0393 122.8737 54.7606 17.8923 178.1340 19 F 4.5649 7.1828 110.7911 57.2973 39.5504 176.2520 20 A 4.1796 7.3644 124.6042 51.7920 18.7062 179.3572 21 V 3.6449 8.2025 113.3519 63.4368 32.1130 176.8088 22 D 4.6720 7.3968 115.5651 50.5422 42.0809 173.4289 23 P 4.2284 0.0000 0.0000 65.3824 31.5472 177.8977 24 A 3.9744 8.0385 118.7987 55.0822 18.3321 179.4867 25 K 3.9653 8.3216 117.6092 59.4308 32.1558 178.9688 26 A 4.0338 8.0878 121.3289 55.1521 18.2469 179.0323 27 Y 4.2360 8.0119 117.9409 60.6774 38.8291 177.8324 28 K 3.7093 8.1529 120.5769 59.7922 32.3263 178.3343 29 D 4.3612 8.4392 119.2372 57.4630 40.7524 178.1521 30 Y 4.0663 8.4370 120.2967 60.7371 38.8223 178.1375 31 L 3.5938 8.2683 119.9056 57.7661 41.5152 179.5178 32 A 4.1020 7.9739 119.3567 54.7132 18.2873 178.8263 33 S 4.4351 7.4370 111.6806 58.5778 62.9486 174.9684 34 G 3.7801 8.0284 110.5913 45.1859 0.0000 174.4237 35 G 2.6176 6.9797 107.9267 44.3545 0.0000 173.8594 36 Q 4.1423 8.3835 122.8758 54.6224 29.7986 174.3853 37 P 4.7159 0.0000 0.0000 62.3967 32.0885 176.2401 38 I 3.9628 8.5627 122.6116 61.8773 37.3985 176.0714 39 T 4.5600 8.7752 115.6736 60.7547 71.1220 174.1203 40 N 4.4642 8.8638 116.7372 54.3115 35.4775 174.2729 41 C 4.4017 7.9175 115.6675 59.5924 29.0699 173.6117 42 V 4.1104 8.3239 117.6059 61.0956 32.4801 175.3353 43 K 4.6706 8.6277 124.2315 55.2513 33.7751 175.7321 44 M 4.4134 8.2693 123.6252 53.9074 33.7453 176.1397 45 L 4.2793 8.2708 124.8301 53.5729 41.8457 175.7138 46 C 4.2707 8.2983 124.4609 59.7811 28.7129 174.2106 47 T 4.3907 8.2562 112.6305 62.0113 69.3450 173.7826 48 H 4.8151 7.4008 116.2281 54.6568 31.2067 172.8206 49 T 4.3877 8.2899 110.7708 60.8578 70.5715 175.3913 50 G 4.2987 8.5344 114.3178 45.3425 0.0000 174.5221 51 T 3.8912 8.9909 111.2006 62.9345 69.0580 176.2409 52 G 3.9686 8.2975 109.3694 45.2579 0.0000 173.7080 53 Q 4.1090 7.6591 118.0568 55.5520 29.5841 176.4398 54 A 4.1364 8.8566 123.2990 54.5875 19.3737 177.6625 55 I 5.1556 7.5125 115.6165 59.9238 40.3211 175.0463 56 T 4.8460 9.0115 116.7633 59.8034 72.2909 175.4008 57 V 4.0545 8.6453 114.3745 63.2124 32.0161 176.2721 58 T 4.6984 7.5340 108.0703 58.7131 71.8131 171.6878 59 P 4.2261 0.0000 0.0000 63.2716 31.7770 176.3777 60 E 4.6258 9.2588 120.4330 55.6964 31.4340 175.2721 61 A 4.4354 7.6084 121.6827 52.7260 19.0977 178.4008 62 N 4.8451 8.9412 120.0824 51.6097 39.9519 175.4322 63 M 4.0734 8.6556 116.4034 58.5155 32.2963 176.9599 64 D 4.8810 8.6641 117.4619 53.9642 41.1550 175.2821 65 Q 5.2185 7.7982 117.0891 54.2074 33.1630 174.3918 66 E 4.6216 9.1048 119.4435 54.7604 33.0404 175.6888 67 S 5.1067 8.4106 120.1619 57.9067 64.7720 173.2123 68 F 5.4210 9.2725 121.7841 55.3168 43.6819 174.5149 69 G 3.9287 9.3968 109.9916 46.3986 0.0000 174.9326 70 G 3.7264 9.0832 112.2511 47.8597 0.0000 175.8617 71 A 4.0694 8.0542 123.3269 55.1069 18.0676 179.6877 72 S 4.1276 7.5827 111.9261 61.3706 63.3320 175.7157 73 C 4.4047 7.9386 117.2999 58.6521 28.3106 172.4253 74 C 4.6964 7.4066 123.1822 57.8644 32.2177 174.0349 75 L 3.5745 8.2363 128.7260 58.2962 41.6187 178.5070 76 Y 3.8906 7.2603 116.2466 60.8785 37.8005 177.7117 77 C 4.1986 7.9423 117.3522 62.8443 28.1782 176.1630 78 R 3.8456 7.9671 118.7887 58.5463 29.6863 177.8353 79 C 4.2028 7.5578 113.9849 58.6310 29.0343 172.9109 80 H 4.0169 7.5382 116.8363 57.1016 26.3060 173.7542 81 I 4.5960 7.4248 110.0364 58.4278 40.7264 174.8738 82 D 4.4075 8.2768 120.0758 54.5922 41.1996 176.0313 83 H 4.0345 8.1343 118.6575 54.1785 30.1194 174.1067 84 P 4.0904 0.0000 0.0000 66.6468 32.8281 179.8557 85 N 3.1400 7.1662 108.2101 52.2927 41.2848 175.5520 *89 F 4.5058 8.8078 123.3286 58.2390 40.9754 176.3850 90 C 4.7822 9.5496 113.9453 57.4177 34.0422 172.2661 91 D 4.6558 8.8973 125.1322 54.2752 39.9567 176.6134 92 L 4.4737 7.7265 119.7854 55.7293 43.4043 176.7382 93 K 4.0321 7.9845 119.3890 57.7462 32.3745 176.8629 94 G 3.8175 8.8726 113.3961 45.4629 0.0000 172.2099 95 K 4.5058 7.7195 118.9803 54.4483 36.3884 174.0325 96 Y 5.1039 8.8513 117.5601 56.6370 41.3719 175.2657 97 V 4.9074 9.0112 123.4928 61.4154 34.1702 174.2846 98 Q 5.1125 9.3614 127.8875 54.8839 29.7361 174.9911 99 I 4.0193 8.6953 126.1310 58.4232 39.6851 173.8571 100 P 4.4453 0.0000 0.0000 63.1817 31.8584 177.4192 101 T 3.8145 9.1473 121.6485 67.0251 68.6114 176.5771 102 T 3.9932 7.9318 109.7059 63.9244 69.0597 174.4373 103 C 4.6758 8.0475 118.9523 59.3822 28.6210 175.0755 104 A 4.2237 7.7338 122.8443 53.7010 17.8343 178.6800 105 N 4.6610 7.9491 112.2470 53.8002 38.3138 175.2573 106 D 4.7786 7.9812 118.7242 51.7099 41.2990 173.7098 107 P 4.1637 0.0000 0.0000 64.9021 31.4535 178.6306 108 V 4.2018 7.0348 118.4435 65.6008 31.6728 178.2684 109 G 3.9146 8.4890 106.7560 46.8565 0.0000 175.4409 110 F 3.7199 8.3481 123.4293 61.4134 39.1817 177.2811 111 T 3.7836 7.3908 106.3095 64.1190 68.7654 176.3276 112 L 4.1810 7.2180 121.6526 57.2819 41.7930 178.5829 113 R 4.2496 7.5602 115.5986 55.8267 30.6101 175.8164 114 N 5.0261 6.7666 115.2249 51.3732 41.8801 173.5249 115 T 4.8896 8.4233 115.4493 61.9481 71.8986 173.3441 116 V 4.1399 8.3747 125.9842 61.4725 32.9093 175.8291 117 C 4.2736 9.2469 129.0328 57.3790 43.7388 174.7801 118 T 3.6575 8.7297 116.9204 64.3520 68.4016 175.4261 119 V 3.8401 7.3215 121.8512 65.1701 32.2301 175.7509 120 C 4.3044 7.9771 115.3994 56.7329 39.9370 175.1027 121 G 3.6587 8.4472 107.7513 45.1210 0.0000 172.5500 122 M 4.6618 7.3017 118.6408 52.6530 34.8113 175.0305 123 W 4.9072 8.3988 120.1092 56.4109 29.7423 176.3845 124 K 4.2833 9.3508 124.2164 58.1802 31.7422 177.5301 125 G 3.9608 9.9828 112.8313 45.5714 0.0000 173.3047 126 Y 4.6717 8.2442 116.2281 55.7315 39.0794 173.1920 127 G 4.2468 8.8446 111.5641 45.6663 0.0000 171.7958 128 C 4.2041 7.9628 118.7837 60.4106 32.2964 173.2788 129 S 4.0714 8.7747 121.0653 59.2307 62.6936 172.0789 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 A 8.12 4.38 1.36 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 0.00 0.00 0.00 10 N 8.14 4.21 0.00 2.82 2.84 0.00 0.00 7.04 6.68 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 11 S 8.93 4.23 0.00 3.87 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 12 T 7.66 3.93 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 1.23 0.00 0.00 13 V 7.59 3.37 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 0.48 0.00 0.00 0.70 0.00 0.00 14 L 8.29 3.84 0.00 1.60 1.57 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.27 4.19 0.00 4.07 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 0.00 16 F 7.88 4.22 0.00 3.01 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 17 C 8.18 3.91 0.00 2.81 2.74 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 18 A 8.04 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.18 4.56 0.00 2.96 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 20 A 7.36 4.18 1.06 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 0.00 0.00 21 V 8.20 3.64 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.40 4.67 0.00 2.72 2.49 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 23 P 0.00 4.23 0.00 2.14 1.99 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 24 A 8.04 3.97 1.38 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 0.00 0.00 0.00 25 K 8.32 3.97 0.00 2.05 1.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 A 8.09 4.03 1.11 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 0.00 0.00 27 Y 8.01 4.24 0.00 2.99 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 28 K 8.15 3.71 0.00 1.89 2.01 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 29 D 8.44 4.36 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.07 0.00 3.29 3.32 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 0.00 0.00 0.00 0.00 31 L 8.27 3.59 0.00 1.60 1.49 0.49 0.86 0.00 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 32 A 7.97 4.10 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 33 S 7.44 4.44 0.00 3.82 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 34 G 8.03 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 6.98 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 0.00 0.00 0.00 36 Q 8.38 4.14 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 37 P 0.00 4.72 0.00 2.26 2.28 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 38 I 8.56 3.96 1.76 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.80 0.00 0.00 39 T 8.78 4.56 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 1.32 0.00 0.00 40 N 8.86 4.46 0.00 2.93 3.04 0.00 0.00 6.85 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 41 C 7.92 4.40 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 42 V 8.32 4.11 2.15 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 0.78 0.00 0.00 1.03 0.00 0.00 43 K 8.63 4.67 0.00 1.53 1.49 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.46 1.33 7.81 44 M 8.27 4.41 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 45 L 8.27 4.28 0.00 1.53 1.56 0.88 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 46 C 8.30 4.27 0.00 2.91 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 47 T 8.26 4.39 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 1.18 0.00 0.00 48 H 7.40 4.82 0.00 3.24 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.29 4.39 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 1.18 0.00 0.00 50 G 8.53 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 0.00 0.00 0.00 0.00 51 T 8.99 3.89 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 52 G 8.30 3.97 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 0.00 0.00 0.00 53 Q 7.66 4.11 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 54 A 8.86 4.14 0.12 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 0.00 0.00 55 I 7.51 5.16 1.81 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 1.50 0.60 0.98 0.00 0.00 56 T 9.01 4.85 4.31 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 1.23 0.00 0.00 57 V 8.65 4.05 2.15 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 0.77 0.00 0.00 0.98 0.00 0.00 58 T 7.53 4.70 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 1.24 0.00 0.00 59 P 0.00 4.23 0.00 1.83 1.82 0.00 3.24 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 0.00 60 E 9.26 4.63 0.00 1.98 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 0.00 2.47 2.39 0.00 61 A 7.61 4.44 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 62 N 8.94 4.85 0.00 2.96 3.01 0.00 0.00 6.79 8.25 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 63 M 8.66 4.07 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 64 D 8.66 4.88 0.00 2.73 2.68 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 0.00 0.00 0.00 65 Q 7.80 5.22 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 66 E 9.10 4.62 0.00 1.89 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 2.17 2.37 0.00 67 S 8.41 5.11 0.00 3.68 3.75 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 68 F 9.27 5.42 0.00 3.03 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 69 G 9.40 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 70 G 9.08 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 0.00 0.00 0.00 71 A 8.05 4.07 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 72 S 7.58 4.13 0.00 4.24 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 73 C 7.94 4.40 0.00 2.98 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 74 C 7.41 4.70 0.00 3.13 2.98 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 0.00 75 L 8.24 3.57 0.00 1.33 0.83 0.38 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.26 3.89 0.00 2.72 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 77 C 7.94 4.20 0.00 3.22 2.98 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 0.00 78 R 7.97 3.85 0.00 1.61 1.82 0.00 3.22 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 1.64 1.67 0.00 79 C 7.56 4.20 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 80 H 7.54 4.02 0.00 3.21 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.42 4.60 1.81 0.00 0.00 0.81 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 0.74 0.81 0.00 0.00 82 D 8.28 4.41 0.00 2.59 2.51 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 83 H 8.13 4.03 0.00 2.90 2.93 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.09 0.00 2.00 1.87 0.00 2.64 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.00 85 N 7.17 3.14 0.00 2.72 2.80 0.00 0.00 6.79 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 *89 F 8.81 4.51 0.00 2.96 2.29 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 90 C 9.55 4.78 0.00 2.46 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 91 D 8.90 4.66 0.00 2.85 2.79 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 0.00 0.00 0.00 0.00 92 L 7.73 4.47 0.00 1.78 1.80 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.98 4.03 0.00 1.82 1.79 0.00 2.08 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.49 7.81 94 G 8.87 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 0.00 0.00 0.00 95 K 7.72 4.51 0.00 1.74 1.86 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.33 7.81 96 Y 8.85 5.10 0.00 3.00 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 97 V 9.01 4.91 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 1.33 0.00 0.00 1.07 0.00 0.00 98 Q 9.36 5.11 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.39 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 99 I 8.70 4.02 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.31 0.28 0.00 0.00 100 P 0.00 4.45 0.00 1.61 1.94 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.90 0.00 101 T 9.15 3.81 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 1.20 0.00 0.00 102 T 7.93 3.99 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 1.26 0.00 0.00 103 C 8.05 4.68 0.00 2.50 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 0.00 104 A 7.73 4.22 1.49 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 0.00 0.00 105 N 7.95 4.66 0.00 2.87 2.97 0.00 0.00 5.78 8.06 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 0.00 106 D 7.98 4.78 0.00 2.77 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 0.00 107 P 0.00 4.16 0.00 1.61 1.16 0.00 3.43 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.50 0.00 108 V 7.03 4.20 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 0.95 0.00 0.00 0.74 0.00 0.00 109 G 8.49 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 0.00 0.00 0.00 110 F 8.35 3.72 0.00 3.14 2.99 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 0.00 111 T 7.39 3.78 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 1.42 0.00 0.00 112 L 7.22 4.18 0.00 1.75 1.79 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.56 4.25 0.00 1.52 1.83 0.00 3.03 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 114 N 6.77 5.03 0.00 1.44 2.40 0.00 0.00 6.75 7.41 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 0.00 115 T 8.42 4.89 4.37 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 1.28 0.00 0.00 116 V 8.37 4.14 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 0.46 0.00 0.00 -0.07 0.00 0.00 117 C 9.25 4.27 0.00 3.27 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 0.00 118 T 8.73 3.66 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 1.21 0.00 0.00 119 V 7.32 3.84 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 0.84 0.00 0.00 0.93 0.00 0.00 120 C 7.98 4.30 0.00 3.13 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 0.00 121 G 8.45 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 7.30 4.66 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 123 W 8.40 4.91 0.00 3.81 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 0.00 124 K 9.35 4.28 0.00 2.09 1.91 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 125 G 9.98 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 0.00 126 Y 8.24 4.67 0.00 3.10 2.99 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 0.00 127 G 8.84 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 0.00 0.00 0.00 0.00 128 C 7.96 4.20 0.00 3.11 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 0.00 129 S 8.77 4.07 0.00 4.02 3.79 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.